070304-物理化学（含：化学物理）
070301-无机化学

多相催化，理论催化
理论化学，计算化学
材料化学，材料物理

2002-09--2007-07 中国科学院山西煤炭化学研究所 理学博士
1998-09--2002-07 内蒙古师范大学 本科（化学教育）

   

2010-12--2014-04 美国洛斯阿拉莫斯国家实验室 西博格研究员
2007-12--2010-12 美国康奈尔大学 博士后
2007-07--2007-11 中国科学院山西煤炭化学研究所 研究助理

   

（1） 美国Los Alamos国家实验室Seaborg奖学金，一等奖，其他级，2011
（2） 中国科学院优秀博士毕业生，一等奖，院级级，2007
（3） 山西省优秀博士论文，一等奖，省级，2007
（4） 中国科学院院长优秀奖，一等奖，院级级，2007
（5） 刘永龄优秀奖，一等奖，院级级，2007
（6） 宝钢优秀学生奖，一等奖，院级级，2006
（7） 中国科学院首届“三好学生标兵”称号，一等奖，院级级，2006
（8） 中国科学院研究生院玉泉路园区“优秀研究生奖学金”，一等奖，院级级，2003

[1] 温晓东, 刘晓彤. 基于机器学习的物质结构谱预测方法及系统. CN: CN115114969A, 2022-09-27.
[2] 温晓东, 谭胖, 刘秀磊, 刘晓彤. 基于SMILES的机器学习方法及系统. CN: CN115114970A, 2022-09-27.
[3] 温晓东, 李岫峨, 任鹏举, 于欣, 杨勇, 李永旺. 基于量子力学高通量的材料电子结合能化学位移获取方法. CN: CN114913937A, 2022-08-16.
[4] 温晓东, 刘晓彤, 张天釜, 郭文平, 周余伟. 基于数据校正的机器学习模型训练方法及系统. CN: CN114548417A, 2022-05-27.
[5] 温晓东, 袁晓泽, 周余伟, 杨勇, 李永旺. 无序材料热力学稳定结构的预测推荐方法、设备、终端. CN: CN113963758A, 2022-01-21.
[6] 温晓东, 刘兴武, 曹直. 一种加压型电化学反应池. CN: CN210894202U, 2020-06-30.

   

[1] Yuan, Xiaoze, Zhou, Yuwei, Peng, Qing, Yang, Yong, Li, Yongwang, Wen, Xiaodong. Active learning to overcome exponential-wall problem for effective structure prediction of chemical-disordered materials. NPJ COMPUTATIONAL MATERIALS[J]. 2023, 9(1): http://dx.doi.org/10.1038/s41524-023-00967-z.
[2] Han, Yuanlong, Yuan, Jiamin, Xing, Mengjiao, Cao, Jian, Chen, Zhiqiang, Zhang, Ling, Tao, Zhichao, Liu, Zhiqiang, Zheng, Anmin, Wen, Xiaodong, Yang, Yong, Li, Yongwang. Shape selectivity of zeolite for hydroisomerization of long-chain alkanes. NEW JOURNAL OF CHEMISTRY[J]. 2023, 47(3): 1401-1412, [3] Wang, He, He, Yurong, Liu, XingWu, Teng, Botao, Li, Yongwang, Wen, XiaoDong. Unraveling the Detailed Interactions between the Surface Species and Nanoparticle Catalyst by a Temperature-Programed Desorption Spectrum at the Molecular Level via a Multi-Scale Simulation and Modeling Experiment. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2023, 127(11): 5299-5307, http://dx.doi.org/10.1021/acs.jpcc.2c08477.
[4] Zhao, Jiaqi, Bai, Ya, Li, Zhenhua, Liu, Jinjia, Wang, Wei, Wang, Pu, Yang, Bei, Shi, Run, Waterhouse, Geoffrey I N, Wen, XiaoDong, Dai, Qing, Zhang, Tierui. Plasmonic Cu Nanoparticles for the Low-temperature Photo-driven Water-gas Shift Reaction. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION[J]. 2023, 62(13): e202219299-e202219299, http://dx.doi.org/10.1002/anie.202219299.
[5] Bai, Jiawei, Liu, Xingchen, Guo, Wenping, Lei, Tingyu, Teng, Botao, Xiang, Hongwei, Wen, Xiaodong. An Efficient Way to Model Complex Iron Carbides: A Benchmark Study of DFTB2 against DFT. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2023, 127(9): 2071-2080, http://dx.doi.org/10.1021/acs.jpca.2c06805.
[6] Chen, Xiaowen, Qin, Xuetao, Jiao, Yueyue, Peng, Mi, Diao, Jiangyong, Ren, Pengju, Li, Chengyu, Xiao, Dequan, Wen, Xiaodong, Jiang, Zheng, Wang, Ning, Cai, Xiangbin, Liu, Hongyang, Ma, Ding. Structure-dependence and metal-dependence on atomically dispersed Ir catalysts for efficient n-butane dehydrogenation. NATURE COMMUNICATIONS[J]. 2023, 14(1): http://dx.doi.org/10.1038/s41467-023-38361-4.
[7] Xing, Mengjiao, Chen, Yunlei, Cao, Jian, Han, Yuanlong, Tao, Zhichao, Wang, Fei, Hao, Kun, Zhang, Ling, Zheng, Wentao, Xiang, Hongwei, Yang, Yong, Li, Yongwang, Wen, Xiaodong. Are olefin aromatization reactions structure sensitive over Al pairs and single Al in H-ZSM-5 Zeolite?. FUEL[J]. 2023, 333: http://dx.doi.org/10.1016/j.fuel.2022.126541.
[8] Liu, Yubing, Yuan, Xiaoze, Lu, Kuan, Chen, Wei, Song, YuFei, Yang, Yong, Li, YongWang, Wen, XiaoDong. Initial stage of carbonization of iron during hydrocarbons dissociation: a molecular dynamics study. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2023, 25(5): 4313-4322, [9] Qingjing Niu, Lisha Wei, Ling Zhang, Zhengxing Qin, Kun Hao, Caixia Hu, Xiaodong Wen, Baojian Shen, Zhichao Tao, Yong Yang, Yongwang Li. Corrigendum to "Insight into stepwise dealumination in acid-treatment of IM-5 for catalytic cracking of n-heptane and Fischer-Tropsch naphtha" Microporous Mesoporous Mater. 342 (2022) 112117. MICROPOROUS AND MESOPOROUS MATERIALS. 2023, 356: http://dx.doi.org/10.1016/j.micromeso.2023.112609.
[10] Niu, Qingjing, Wei, Lisha, Zhang, Ling, Qin, Zhengxing, Hao, Kun, Hu, Caixia, Wen, Xiaodong, Shen, Baojian, Tao, Zhichao, Yang, Yong, Li, Yongwang. Insight into stepwise dealumination in acid-treatment of IM-5 for catalytic cracking of n-heptane and Fischer-Tropsch naphtha (vol 342, 112117, 2022). MICROPOROUS AND MESOPOROUS MATERIALSnull. 2023, 356: http://dx.doi.org/10.1016/j.micromeso.2023.112609.
[11] Zhao, Jiaqi, Liu, Jinjia, Li, Zhenhua, Wang, Kaiwen, Shi, Run, Wang, Pu, Wang, Qing, Waterhouse, Geoffrey I N, Wen, Xiaodong, Zhang, Tierui. Ruthenium-cobalt single atom alloy for CO photo-hydrogenation to liquid fuels at ambient pressures. NATURE COMMUNICATIONS[J]. 2023, 14(1): 1909-1909, http://dx.doi.org/10.1038/s41467-023-37631-5.
[12] Qiao, Wei, Fan, Xing, Liu, Weifeng, Khan, Fahir Niaz, Zhang, Dongsheng, Han, Feiyu, Yue, Beijing Huiyu, Li, Yajiao, Dimitratos, Nikolaos, Albonetti, Stefania, Wen, Xiaodong, Yang, Yong, Besenbacher, Flemming, Li, Yongwang, Niemantsverdriet, Hans, Lin, Haiping, Su, Ren. Creating and Stabilizing an Oxidized Pd Surface under Reductive Conditions for Photocatalytic Hydrogenation of Aromatic Carbonyls. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 2023, http://dx.doi.org/10.1021/jacs.2c13196.
[13] Jiao, Yueyue, Ma, Huan, Ren, Pengju, Li, Teng, Li, YongWang, Wen, XiaoDong, Jiao, Haijun. Exploring coverage-dependent chain-growth mechanisms on Ru(111) for Fischer-Tropsch synthesis. CATALYSIS SCIENCE & TECHNOLOGY[J]. 2023, 13(2): 437-456, [14] Jiao, Yueyue, Ma, Huan, Wang, Hui, Li, YongWang, Wen, XiaoDong, Jiao, Haijun. Temperature-dependent ethylene dissociative adsorption on ruthenium. APPLIED SURFACE SCIENCE[J]. 2023, 637: http://dx.doi.org/10.1016/j.apsusc.2023.157922.
[15] Li, Zhenhua, Liu, Jinjia, Zhao, Jiaqi, Shi, Run, Waterhouse, Geoffrey I N, Wen, XiaoDong, Zhang, Tierui. Photo-Driven Hydrogen Production from Methanol and Water using Plasmonic Cu Nanoparticles Derived from Layered Double Hydroxides. ADVANCED FUNCTIONAL MATERIALS[J]. 2023, 33(11): 2213672-2213672, [16] 曾严, 王慧, 杨惠茹, 隽超, 李丹, 温晓东, 张帆, 邹吉军, 彭冲, 胡常伟. 镍纳米粒子耦合氧空位高效催化转化棕榈酸制备烷烃. 催化学报(英文). 2023, 47(4): 229-242, http://lib.cqvip.com/Qikan/Article/Detail?id=7109421144.
[17] Jia, Zhimin, Peng, Mi, Cai, Xiangbin, Chen, Yunlei, Chen, Xiaowen, Huang, Fei, Zhao, Linmin, Diao, Jiangyong, Wang, Ning, Xiao, Dequan, Wen, Xiaodong, Jiang, Zheng, Liu, Hongyang, Ma, Ding. Fully Exposed Platinum Clusters on a Nanodiamond/Graphene Hybrid for Efficient Low-Temperature CO Oxidation. ACS CATALYSIS[J]. 2022, [18] Lisha Wei, Hui Yang, Pengju Ren, Yong Yang, YongWang Li, Ruifeng Li, XiaoDong Wen, Haijun Jiao. Distribution of multiple Al substitution in HY zeolite and Brønsted acid strength - A periodic DFT study. MICROPOROUS AND MESOPOROUS MATERIALS. 2022, 344: http://dx.doi.org/10.1016/j.micromeso.2022.112184.
[19] Niu, Liwei, Liu, Jinjia, Liu, Xingwu, Xu, Jian, Wen, Xiaodong, Yang, Yong, Li, Yongwang. Elucidating the effect of sodium on the carburization behaviors of a-Fe under CO or C2H4. APPLIED CATALYSIS B-ENVIRONMENTAL[J]. 2022, 315: http://dx.doi.org/10.1016/j.apcatb.2022.121527.
[20] Jia, Zhimin, Qin, Xuetao, Chen, Yunlei, Cai, Xiangbin, Gao, Zirui, Peng, Mi, Huang, Fei, Xiao, Dequan, Wen, Xiaodong, Wang, Ning, Jiang, Zheng, Zhou, Wu, Liu, Hongyang, Ma, Ding. Fully-exposed Pt-Fe cluster for efficient preferential oxidation of CO towards hydrogen purification. NATURE COMMUNICATIONS[J]. 2022, 13(1): http://dx.doi.org/10.1038/s41467-022-34674-y.
[21] Jin, Yu, Yang, Hui, Yu, Xin, Ren, Pengju, Yang, Yong, Xiang, Hongwei, Li, YongWang, Jiao, Haijun, Wen, Xiaodong. Unraveling the Synergetic Effect of the FeOx-Cu Model System in Catalyzing the Water-Gas Shift Reaction. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2022, 126(14): 6241-6248, http://dx.doi.org/10.1021/acs.jpcc.2c00350.
[22] Zhao, Peng, He, Yurong, Wen, Xiaodong, Jiao, Haijun. Dissociative adsorption of H2O and CO2 on the clean and O-pre-covered high index Ru surfaces: Corrugated Ru(11-21) and stepped Ru (20-21) surfaces. SURFACE SCIENCE[J]. 2022, 715: http://apps.webofknowledge.com/CitedFullRecord.do?product=UA&colName=WOS&SID=5CCFccWmJJRAuMzNPjj&search_mode=CitedFullRecord&isickref=WOS:000701740500002.
[23] Cao, Xu, Liu, Chunli, Zhang, Tianfu, Xu, Qian, Zhang, Dongling, Liu, Xiaotong, Jiao, Haijun, Wen, Xiaodong, Yang, Yong, Li, Yongwang, Niemantsverdriet, J W, Zhu, Junfa. Revisiting Oxygen Adsorption on Ir(100). JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2022, 126(24): 10035-10044, http://dx.doi.org/10.1021/acs.jpcc.2c01237.
[24] Bai, Ya, Liu, Jinjia, Wang, Tao, Song, YuFei, Yang, Yong, Li, YongWang, Wen, Xiaodong. Theoretical insight into the interaction between hydrogen and Hagg carbide (?-Fe5C2) surfaces. APPLIED SURFACE SCIENCE[J]. 2022, 583: http://dx.doi.org/10.1016/j.apsusc.2022.152538.
[25] Wei, Lisha, Yang, Hui, Ren, Pengju, Yang, Yong, Li, YongWang, Li, Ruifeng, Wen, XiaoDong, Jiao, Haijun. Distribution of multiple Al substitution in HY zeolite and Bronsted acid strength- A periodic DFT study. MICROPOROUS AND MESOPOROUS MATERIALS[J]. 2022, 344: http://dx.doi.org/10.1016/j.micromeso.2022.112184.
[26] Zhang, Wei, Ma, Caiping, Liu, Xingwu, Yang, Yong, Li, Yongwang, Wen, Xiaodong. Single-Phase theta-Fe3C Derived from Prussian Blue and Its Catalytic Application in Fischer-Tropsch Synthesis. CATALYSTS[J]. 2022, 12(10): [27] Huang, Fei, Peng, Mi, Chen, Yunlei, Gao, Zirui, Cai, Xiangbin, Xie, Jinglin, Xiao, Dequan, Jin, Li, Wang, Guoqing, Wen, Xiaodong, Wang, Ning, Zhou, Wu, Liu, Hongyang, Ma, Ding. Insight into the Activity of Atomically Dispersed Cu Catalysts for Semihydrogenation of Acetylene: Impact of Coordination Environments. ACS CATALYSIS[J]. 2022, 12(1): 48-57, http://dx.doi.org/10.1021/acscatal.1c04832.
[28] Guo, Weijun, Yin, Junqing, Xu, Zhen, Li, Wentao, Peng, Zhantao, Weststrate, C J, Yu, Xin, He, Yurong, Cao, Zhi, Wen, Xiaodong, Yang, Yong, Wu, Kai, Li, Yongwang, Niemantsverdriet, J W, Zhou, Xiong. Visualization of on-surface ethylene polymerization through ethylene insertion. SCIENCE[J]. 2022, 375(6585): 1188-+, http://dx.doi.org/10.1126/science.abi4407.
[29] Bai, Ya, Liu, Jinjia, Wang, Tao, Song, YuFei, Li, YongWang, Yang, Yong, Wen, Xiaodong. Theoretical study about adsorbed oxygen reduction over chi-Fe5C2: formation of H2O and CO2. MOLECULAR CATALYSIS[J]. 2022, 524: http://dx.doi.org/10.1016/j.mcat.2022.112236.
[30] Yang, Hui, Geng, Xiaobin, Yang, Yong, Li, YongWang, Wen, XiaoDong, Jiao, Haijun. Mechanisms of CO(2 )hydrogenative conversion on supported Ni/ ZrO2 catalyst. APPLIED SURFACE SCIENCE[J]. 2022, 600: http://dx.doi.org/10.1016/j.apsusc.2022.154151.
[31] Mao, Shuxin, Budweg, Svenja, Spannenberg, Anke, Wen, Xiaodong, Yang, Yong, Li, YongWang, Junge, Kathrin, Beller, Matthias. Iron-Catalyzed Epoxidation of Linear alpha-Olefins with Hydrogen Peroxide. CHEMCATCHEM[J]. 2022, 14(4): http://dx.doi.org/10.1002/cctc.202101668.
[32] Huang, Fei, Peng, Mi, Chen, Yunlei, Cai, Xiangbin, Qin, Xuetao, Wang, Ning, Xiao, Dequan, Jin, Li, Wang, Guoqing, Wen, XiaoDong, Liu, Hongyang, Ma, Ding. Low-Temperature Acetylene Semi-Hydrogenation over the Pd1-Cu1 Dual-Atom Catalyst. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2022, [33] Wang, Hui, Yang, Hui, Jiao, Yueyue, Wen, Xiaodong, Jiao, Haijun. Surface hydroxyl dependent adsorption of ruthenium on SiO2(001)-Understanding metal-support interaction. APPLIED SURFACE SCIENCE[J]. 2022, 593: http://dx.doi.org/10.1016/j.apsusc.2022.153396.
[34] Li, Yaru, Li, Yajiao, Hu, Caixia, Wen, Xiaodong, Xiang, Hongwei, Li, Yongwang, Niemantsverdriet, Hans, Su, Ren. Efficient heterogeneous photocatalytic C-C coupling of halogenated arenes mediated by metal cocatalyst. GREEN CHEMISTRY[J]. 2022, 24(19): 7622-7629, [35] Ya Bai, Jinjia Liu, Tao Wang, YuFei Song, Yong Yang, YongWang Li, Xiaodong Wen. Theoretical study about adsorbed oxygen reduction over χ-Fe5C2: formation of H2O and CO2. MOLECULAR CATALYSIS. 2022, 524: [36] Cao, DongBo, Liu, Xingchen, Lewis, James P, Guo, Wenping, Wen, Xiaodong. Tuning Surface-Electron Spins on Fe3O4 (111) through Chemisorption of Carbon Monoxide. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION[J]. 2022, 61(26): http://dx.doi.org/10.1002/anie.202202751.
[37] Jin, Yu, Yang, Hui, Yu, Xin, Ren, Pengju, Yang, Yong, Xiang, Hongwei, Li, YongWang, Jiao, Haijun, Wen, Xiaodong. Unraveling the Synergetic Effect of the FeOx-Cu Model System in Catalyzing the Water-Gas Shift Reaction br. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2022, 126(14): 6241-6248, http://dx.doi.org/10.1021/acs.jpcc.2c00350.
[38] Geng, Xiaobin, Liu, Jinjia, Yang, Hui, Guo, Wenping, Bai, Jie, Wen, XiaoDong. Surface morphology evolution of cobalt nanoparticles induced by hydrogen adsorption: a theoretical study. NEW JOURNAL OF CHEMISTRY[J]. 2022, 46(19): 9272-9279, http://dx.doi.org/10.1039/d2nj00356b.
[39] Bai, Ya, Liu, Jinjia, Wang, Tao, Song, YuFei, Yang, Yong, Li, YongWang, Wen, Xiaodong. Theoretical insight into the interaction between hydrogen and Hagg carbide (?-Fe5C2) surfaces. APPLIED SURFACE SCIENCE[J]. 2022, 583: http://dx.doi.org/10.1016/j.apsusc.2022.152538.
[40] Zhang, Xiangyu, Chen, Yunlei, Sun, Yongfang, Ye, TianNan, Wen, XiaoDong. First-Principles Study of Three-Dimensional Electrides Containing One-Dimensional Ba3N(3+) Chains. ACSOMEGA[J]. 2022, 7(15): 13290-13298, http://dx.doi.org/10.1021/acsomega.2c00956.
[41] Xing, Mengjiao, Zhang, Ling, Cao, Jian, Han, Yuanlong, Wang, Fei, Hao, Kun, Huang, Lihua, Tao, Zhichao, Wen, Xiaodong, Yang, Yong, Li, Yongwang. Impact of the aluminum species state on Al pairs formation in the ZSM-5 framework. MICROPOROUS AND MESOPOROUS MATERIALS[J]. 2022, 334: http://dx.doi.org/10.1016/j.micromeso.2022.111769.
[42] Gong, Huiyong, Qing, Ming, Wan, Hongliu, Yuan, Xiaoze, Qiao, Panzhe, Liu, Xingwu, Song, Xin, Wu, Baoshan, Wang, Hong, Wen, XiaoDong, Yang, Yong, Li, YongWang. Fe-Sn bimetallic catalysts for an enhanced Fischer-Tropsch synthesis stability via oxygen removal and coking resistance. FUEL[J]. 2022, 311: http://dx.doi.org/10.1016/j.fuel.2021.122115.
[43] Liu, Yubing, Lu, Kuan, Liu, Xingchen, Liu, Jinjia, Guo, WenPing, Chen, Wei, Peng, Qing, Song, YuFei, Yang, Yong, Li, YongWang, Wen, XiaoDong. C2 weakens the turnover frequency during the melting of FexCy: insights from reactive MD simulations. NEW JOURNAL OF CHEMISTRY[J]. 2021, 46(1): 282-293, http://dx.doi.org/10.1039/d1nj05114h.
[44] Li, Guihang, Yu, Xin, Weststrate, C J, Ren, Pengju, Xu, Jian, Xu, Qian, Yang, Yong, Li, Yongwang, Niemantsverdriet, J W, Wen, Xiaodong, Zhu, Junfa. Role of Interfaces in the Thermal Reduction Process of the FeO/Cu2O/Cu(100) Surface. JOURNALOFPHYSICALCHEMISTRYC[J]. 2021, 125(38): 20863-20869, http://dx.doi.org/10.1021/acs.jpcc.1c05527.
[45] Lin, Lili, Yu, Qiaolin, Peng, Mi, Li, Aowen, Yao, Siyu, Tian, Shuheng, Liu, Xi, Li, Ang, Jiang, Zheng, Gao, Rui, Han, Xiaodong, Li, YongWang, Wen, XiaoDong, Zhou, Wu, Ma, Ding. Atomically Dispersed Ni/alpha-MoC Catalyst for Hydrogen Production from Methanol/Water. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2021, 143(1): 309-317, https://www.webofscience.com/wos/woscc/full-record/WOS:000611083700040.
[46] Yi, Fengjiao, He, Peng, Chen, Huimin, He, Yurong, Tao, Zhichao, Li, Tao, Zhao, Guoyan, Yun, Yifeng, Wen, Xiaodong, Yang, Yong, Li, Yongwang. Mechanisms of Double-Bond Isomerization Reactions of n-Butene on Different Lewis Acids. ACS CATALYSIS[J]. 2021, 11(17): 11293-11304, http://apps.webofknowledge.com/CitedFullRecord.do?product=UA&colName=WOS&SID=5CCFccWmJJRAuMzNPjj&search_mode=CitedFullRecord&isickref=WOS:000693621800054.
[47] Liu, Chunli, Wen, Xiaodong, Yang, Yong, Li, YongWang, Jiao, Haijun. Nonoxidative Conversion of Methane, Ethane, and Ethylene on Flat Ir(111) and Stepped Ir(211) Surfaces. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2021, 125(10): 5602-5615, http://dx.doi.org/10.1021/acs.jpcc.1c00098.
[48] Zhang, Yu, Qing, Ming, Wang, Hong, Liu, XingWu, Liu, Suyao, Wan, Hongliu, Li, Linge, Gao, Xiang, Yang, Yong, Wen, XiaoDong, Li, YongWang. Comprehensive understanding of SiO2-promoted Fe Fischer-Tropsch synthesis catalysts: Fe-SiO2 interaction and beyond. CATALYSIS TODAY[J]. 2021, 368: 96-105, http://dx.doi.org/10.1016/j.cattod.2020.02.026.
[49] Liu, Xingchen, Liu, Jinjia, Yang, Yong, Li, YongWang, Wen, Xiaodong. Theoretical Perspectives on the Modulation of Carbon on Transition-Metal Catalysts for Conversion of Carbon-Containing Resources. ACS CATALYSISnull. 2021, 11(4): 2156-2181, http://dx.doi.org/10.1021/acscatal.0c04739.
[50] Lu, Kuan, Luo, Dan, He, Yurong, Huo, ChunFang, Zhou, Yuwei, Guo, WenPing, Peng, Qing, Yang, Yong, Li, YongWang, Wen, XiaoDong. Sintering enhances turn-over frequency of nanoparticles: A case study of FexCy catalyst using reactive MD simulations. APPLIED SURFACE SCIENCE[J]. 2021, 570: http://dx.doi.org/10.1016/j.apsusc.2021.151018.
[51] Zhai, Peng, Li, Yinwen, Wang, Meng, Liu, Jinjia, Cao, Zhi, Zhang, Jie, Xu, Yao, Liu, Xingwu, Li, YongWang, Zhu, Qingjun, Xiao, Dequan, Wen, XiaoDong, Ma, Ding. Development of direct conversion of syngas to unsaturated hydrocarbons based on Fischer-Tropsch route. CHEMnull. 2021, 7(11): 3027-3051, http://dx.doi.org/10.1016/j.chempr.2021.08.019.
[52] Zhao, Jiaojiao, He, Yurong, Wang, Fei, Yang, Yusen, Zheng, Wentao, Huo, Chunfang, Jiao, Haijun, Yang, Yong, Li, Yongwang, Wen, Xiaodong. A recyclable CoGa intermetallic compound catalyst for the hydroformylation reaction. JOURNAL OF CATALYSIS[J]. 2021, 404: 244-249, http://dx.doi.org/10.1016/j.jcat.2021.09.031.
[53] Sun, Yongfang, Chen, Yunlei, Zhang, Xiangyu, He, Yurong, Qiu, Zhongxian, Zheng, Wentao, Wang, Fei, Jiao, Haijun, Yang, Yong, Li, Yongwang, Wen, Xiaodong. The Facile Dissociation of Carbon-Oxygen bonds in CO2 and CO on the Surface of LaCoSiHx Intermetallic Compound. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION[J]. 2021, 60(48): 25538-25545, http://dx.doi.org/10.1002/anie.202111747.
[54] Bai, Jiawei, Liu, Xingchen, Lei, Tingyu, Teng, Botao, Wen, Xiaodong. A combined DFTB nanoreactor and reaction network generator approach for the mechanism of hydrocarbon combustion. CHEMICAL COMMUNICATIONS[J]. 2021, 57(88): 11633-11636, http://dx.doi.org/10.1039/d1cc04736a.
[55] Lei, Tingyu, Liu, Xingchen, Pathak, Amar Deep, Shetty, Sharan, Liu, Qingya, Wen, Xiaodong. Insights into Coke Formation and Removal under Operating Conditions with a Quantum Nanoreactor Approach. JOURNAL OF PHYSICAL CHEMISTRY LETTERS[J]. 2021, 12(39): 9413-9421, http://dx.doi.org/10.1021/acs.jpclett.1c02892.
[56] Bai, Ya, Liu, Jinjia, Ren, Pengju, Guo, Wenping, Wang, Tao, Chen, Wei, Liu, Xingchen, Peng, Qing, Song, YuFei, Yang, Yong, Li, YongWang, Wen, Xiaodong. Oxygen Adsorption-Induced Morphological Evolution of Hagg Iron Carbide at High Oxygen Chemical Potentials. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2021, 125(5): 3055-3065, http://dx.doi.org/10.1021/acs.jpcc.0c10822.
[57] Xing, Caihong, Liu, Xingchen, Li XiaoHong, Chang Song, Cao, Dongbo, Wen, Xiaodong. The role of ligands in pressure-induced phase transition of gold nanoribbons. PHASE TRANSITIONS[J]. 2021, 94(3-4): 123-133, http://dx.doi.org/10.1080/01411594.2021.1904139.
[58] Wei, Yuxue, Luo, Dan, Yan, Linlin, Liu, Jingge, Cheng, Qin, Cai, Mengdie, Sun, Song, Wen, Xiaodong, Yang, Yong, Zhang, Chenghua. Glucose-Induced Monodisperse Iron Oxide/Graphene Oxide Catalysts for Efficient Fischer-Tropsch Synthesis. ENERGY & FUELS[J]. 2021, 35(5): 4428-4436, http://dx.doi.org/10.1021/acs.energyfuels.1c00168.
[59] Li, Zhenhua, Liu, Jinjia, Shi, Run, Waterhouse, Geoffrey I N, Wen, XiaoDong, Zhang, Tierui. Fe-Based Catalysts for the Direct Photohydrogenation of CO2 to Value-Added Hydrocarbons. ADVANCED ENERGY MATERIALS[J]. 2021, 11(12): https://www.webofscience.com/wos/woscc/full-record/WOS:000616481800001.
[60] Gao, Xiang, Zhang, Ling, Tao, Zhichao, Chen, Huimin, Zhang, Yu, Gong, Huiyong, Wen, Xiaodong, Yang, Yong, Li, Yongwang. New insight into seeding process leading to improved zeolitic acidity and surface properties for its catalytic application in propane aromatization. CATALYSIS TODAY[J]. 2021, 368: 232-242, http://dx.doi.org/10.1016/j.cattod.2020.03.065.
[61] Jiao, Yueyue, Ma, Huan, Wang, Hui, Li, YongWang, Wen, XiaoDong, Jiao, Haijun. Interactive network of the dehydrogenation of alkanes, alkenes and alkynes - surface carbon hydrogenative coupling on Ru(111). CATALYSIS SCIENCE & TECHNOLOGY[J]. 2021, 11(1): 191-210, http://dx.doi.org/10.1039/d0cy02055a.
[62] Li, Yaru, Ren, Pengju, Zhang, Dongsheng, Qiao, Wei, Wang, Dan, Yang, Xiaoqin, Wen, Xiaodong, Rummeli, Mark H, Niemantsverdriet, Hans, Lewis, James P, Besenbacher, Flemming, Xiang, Hongwei, Li, Yongwang, Su, Ren. Rationally Designed Metal Cocatalyst for Selective Photosynthesis of Bibenzyls via Dehalogenative C-C Homocoupling. ACS CATALYSIS[J]. 2021, 11(7): 4338-4348, http://dx.doi.org/10.1021/acscatal.1c00102.
[63] Liu, Zhibo, Huang, Fei, Peng, Mi, Chen, Yunlei, Cai, Xiangbin, Wang, Linlin, Hu, Zenan, Wen, Xiaodong, Wang, Ning, Xiao, Dequan, Jiang, Hong, Sun, Hongbin, Liu, Hongyang, Ma, Ding. Tuning the selectivity of catalytic nitriles hydrogenation by structure regulation in atomically dispersed Pd catalysts. NATURE COMMUNICATIONS[J]. 2021, 12(1): http://dx.doi.org/10.1038/s41467-021-26542-y.
[64] Huang, Fei, Peng, Mi, Chen, Yunlei, Gao, Zirui, Cai, Xiangbin, Xie, Jinglin, Xiao, Dequan, Jin, Li, Wang, Guoqing, Wen, Xiaodong, Wang, Ning, Zhou, Wu, Liu, Hongyang, Ma, Ding. Insight into the Activity of Atomically Dispersed Cu Catalysts for Semihydrogenation of Acetylene: Impact of Coordination Environments. ACS CATALYSIS[J]. 2021, 10-, [65] Wang, Linlin, Diao, Jiangyong, Peng, Mi, Chen, Yunlei, Cai, Xiangbin, Deng, Yuchen, Huang, Fei, Qin, Xuetao, Xiao, Dequan, Jiang, Zheng, Wang, Ning, Sun, Ting, Wen, Xiaodong, Liu, Hongyang, Ma, Ding. Cooperative Sites in Fully Exposed Pd Clusters for Low-Temperature Direct Dehydrogenation Reaction. ACS CATALYSIS[J]. 2021, 11(18): 11469-11477, http://dx.doi.org/10.1021/acscatal.1c01503.
[66] Liu, Jinjia, Yang, Tao, Peng, Qing, Yang, Yong, Li, YongWang, Wen, XiaoDong. Theoretical exploration of the interaction between hydrogen and pyrite-type FeS2 surfaces. APPLIED SURFACE SCIENCE[J]. 2021, 537: http://dx.doi.org/10.1016/j.apsusc.2020.147900.
[67] Chen, Zhiqiang, Liu, Suyao, Zhang, Huaike, He, Peng, Ren, Jie, Wen, Xiaodong, Li, YongWang. Selective regulation of n-dodecane isomerization and cracking performance in Pt/beta catalysts via orientation control of Bronsted acid site distribution. CATALYSISSCIENCETECHNOLOGY[J]. 2021, 11(6): 2094-2102, http://dx.doi.org/10.1039/d0cy02088e.
[68] Xu, Yanfei, Li, Xiangyang, Gao, Junhu, Wang, Jie, Ma, Guangyuan, Wen, Xiaodong, Yang, Yong, Li, Yongwang, Ding, Mingyue. A hydrophobic FeMn@Si catalyst increases olefins from syngas by suppressing C1 by-products. SCIENCE[J]. 2021, 371(6529): 610-+, http://dx.doi.org/10.1126/science.abb3649.
[69] Lei, Tingyu, Mao, Jiatian, Liu, Xingchen, Pathak, Amar Deep, Shetty, Sharan, van Bavel, Alexander P, Xie, Lu, Gao, Rui, Ren, Pengju, Luo, Dan, Liu, Qingya, Ma, Wei, Xu, Chuanlai, Wen, Xiaodong. Carbon Deposition and Permeation on Nickel Surfaces in Operando Conditions: A Theoretical Study. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2021, 125(13): 7166-7177, http://dx.doi.org/10.1021/acs.jpcc.0c11292.
[70] Luo, Dan, He, Yurong, Yu, Xin, Wang, Fei, Zhao, Jiaojiao, Zheng, Wentao, Jiao, Haijun, Yang, Yong, Li, Yongwang, Wen, Xiaodong. Intrinsic mechanism of active metal dependent primary amine selectivity in the reductive amination of carbonyl compounds. JOURNAL OF CATALYSIS[J]. 2021, 395: 293-301, http://dx.doi.org/10.1016/j.jcat.2021.01.016.
[71] Wan, Hongliu, Qing, Ming, Wang, Hong, Liu, Suyao, Liu, XingWu, Zhang, Yu, Gong, Huiyong, Li, Linge, Zhang, Wei, Song, Chang, Wen, XiaoDong, Yang, Yong, Li, YongWang. Promotive effect of boron oxide on the iron-based catalysts for Fischer-Tropsch synthesis. FUEL[J]. 2020, 281: http://dx.doi.org/10.1016/j.fuel.2020.118714.
[72] Yan, Linlin, Liu, Jingge, Wang, Xianzhou, Ma, Caiping, Zhang, Chenghua, Wang, Hulin, Wei, Yuxue, Wen, Xiaodong, Yang, Yong, Li, Yongwang. Ru catalysts supported by Si3N4 for Fischer-Tropsch synthesis. APPLIED SURFACE SCIENCE[J]. 2020, 526: http://dx.doi.org/10.1016/j.apsusc.2020.146631.
[73] Yuan, Xiaoze, Zhou, Yuwei, Huo, Chunfang, Guo, Wenping, Yang, Yong, Li, Yongwang, Wen, Xiaodong. Crystal Structure Prediction Approach to Explore the Iron Carbide Phases: Novel Crystal Structures and Unexpected Magnetic Properties. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2020, 124(31): 17244-17254, http://dx.doi.org/10.1021/acs.jpcc.0c05129.
[74] Liu, Xuandong, Liu, Jinjia, Li, Lei, Zhang, Xinyue, Sun, Houxiang, Guo, Rong, Ren, Shenyong, Guo, Qiaoxia, Wen, XiaoDong, Shen, Baojian. Preparation of electron-rich Fe-based catalyst via electronic structure regulation and its promotion to hydrodesulfurization of dibenzothiophene. APPLIED CATALYSIS B-ENVIRONMENTAL[J]. 2020, 269: http://dx.doi.org/10.1016/j.apcatb.2020.118779.
[75] Liu, Xuandong, Liu, Jinjia, Li, Lei, Guo, Rong, Zhang, Xinyue, Ren, Shenyong, Guo, Qiaoxia, Wen, XiaoDong, Shen, Baojian. Hydrodesulfurization of Dibenzothiophene on TiO2-x-Modified Fe-Based Catalysts: Electron Transfer Behavior between TiO2-x and Fe Species. ACS CATALYSIS[J]. 2020, 10(16): 9019-9033, https://www.webofscience.com/wos/woscc/full-record/WOS:000563749900005.
[76] Yin, Junqing, Liu, Xingchen, Liu, XingWu, Wang, He, Wan, Hongliu, Wang, Shuyuan, Zhang, Wei, Zhou, Xiong, Teng, BoTao, Yang, Yong, Li, YongWang, Cao, Zhi, Wen, XiaoDong. Theoretical exploration of intrinsic facet-dependent CH4 and C-2 formation on Fe5C2 particle. APPLIED CATALYSIS B-ENVIRONMENTAL[J]. 2020, 278: http://dx.doi.org/10.1016/j.apcatb.2020.119308.
[77] Liu, Suyao, Zhang, Huaike, Chen, Huimin, Chen, Zhiqiang, Zhang, Liwei, Ren, Jie, Wen, Xiaodong, Yang, Yong, Li, YongWang. Fabrication of a core-shell MFI@TON material and its enhanced catalytic performance for toluene alkylation. CATALYSIS SCIENCE & TECHNOLOGY[J]. 2020, 10(5): 1281-1291, https://www.webofscience.com/wos/woscc/full-record/WOS:000536775400004.
[78] Gong, Huiyong, He, Yurong, Yin, Junqing, Liu, Suyao, Qing, Ming, Peng, Qing, Huo, ChunFang, Wang, Hong, Yang, Yong, Wen, XiaoDong. Electronic effects of transition metal dopants on Fe(100) and Fe5C2(100) surfaces for CO activation. CATALYSIS SCIENCE & TECHNOLOGY[J]. 2020, 10(7): 2047-2056, https://www.webofscience.com/wos/woscc/full-record/WOS:000524587800005.
[79] Li, Tao, Zhang, Ling, Tao, Zhichao, Hu, Caixia, Zhao, Chunli, Yi, Fengjiao, Gao, Xiang, Wen, Xiaodong, Yang, Yong, Li, Yongwang. Synthesis and characterization of amorphous silica-alumina with enhanced acidity and its application in hydro-isomerization/cracking. FUEL[J]. 2020, 279: http://dx.doi.org/10.1016/j.fuel.2020.118487.
[80] Wang, Shuyuan, Xu, Dan, Chen, Yunlei, Zhou, Song, Zhu, Di, Wen, Xiaodong, Yang, Yong, Li, Yongwang. Hydrodeoxygenation of anisole to benzene over an Fe2P catalyst by a direct deoxygenation pathway. CATALYSIS SCIENCE & TECHNOLOGY[J]. 2020, 10(9): 3015-3023, https://www.webofscience.com/wos/woscc/full-record/WOS:000534338900024.
[81] Fengjiao Yi, Yunlei Chen, Zhichao Tao, Caixia Hu, Xianfeng Yi, Anmin Zheng, Xiaodong Wen, Yifeng Yun, Yong Yang, Yongwang Li. Corrigendum to "Origin of weak Lewis acids on silanol nests in dealuminated zeolite Beta" J. Catal. 380 (2019) 204–214. JOURNAL OF CATALYSIS. 2020, 385: 345-346, http://dx.doi.org/10.1016/j.jcat.2020.02.004.
[82] Wei, Yuxue, Yan, Linlin, Ma, Caiping, Zhang, Chenghua, Sun, Song, Wen, Xiaodong, Yang, Yong, Li, Yongwang. Mesoporous Iron Oxide Nanoparticle-Decorated Graphene Oxide Catalysts for Fischer-Tropsch Synthesis. ACS APPLIED NANO MATERIALS[J]. 2020, 3(7): 7182-7191, https://www.webofscience.com/wos/woscc/full-record/WOS:000555518200104.
[83] He, Peng, Chen, Yunlei, Jarvis, Jack, Meng, Shijun, Liu, Lijia, Wen, XiaoDong, Song, Hua. Highly Selective Aromatization of Octane over Pt-Zn/UZSM-5: The Effect of Pt-Zn Interaction and Pt Position. ACS APPLIED MATERIALS & INTERFACES[J]. 2020, 12(25): 28273-28287, https://www.webofscience.com/wos/woscc/full-record/WOS:000543780900043.
[84] Liu, Chunli, Zhu, Ling, Wen, Xiaodong, Yang, Yong, Li, YongWang, Jiao, Haijun. Exploring direct and hydrogen-assisted CO activation on iridium surfaces - surface dependent activity. CATALYSIS SCIENCE & TECHNOLOGY[J]. 2020, 10(13): 4424-4435, https://www.webofscience.com/wos/woscc/full-record/WOS:000547719400024.
[85] Luo, Dan, Liu, Xingchen, Gao, Rui, Pathak, Amar Deep, Shetty, Sharan, van Bavel, Alexander P, Yang, Yong, Li, YongWang, Wen, XiaoDong. Theoretical Insights into the Structure and Activity of Cobalt Modulated by Surface and Subsurface Carbon in Operando Conditions. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2020, 124(34): 18576-18586, http://dx.doi.org/10.1021/acs.jpcc.0c04210.
[86] Liu, Xiaotong, Zhang, Tianfu, Yang, Tao, Liu, Xiulei, Song, Xin, Yang, Yong, Li, Ning, Rignanese, GianMarco, Li, Yongwang, Wen, Xiaodong. Solving Chemistry Problems via an End-to-End Approach: A Proof of Concept. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2020, 124(42): 8866-8873, http://dx.doi.org/10.1021/acs.jpca.0c06319.
[87] Liu, Jingge, He, Yurong, Yan, LinLin, Ma, Caiping, Zhang, Chenghua, Xiang, Hongwei, Wen, Xiaodong, Li, Yongwang. Nano-ZrO2 as hydrogenation phase in bi-functional catalyst for syngas aromatization. FUEL[J]. 2020, 263: http://dx.doi.org/10.1016/j.fuel.2019.116803.
[88] Meng, Yu, Liu, XiaoYan, Bai, MiaoMiao, Chen, Juan, Ma, YaJun, Wen, XiaoDong. Adsorption or deoxidation of H-2 interacted with Fe3O4 surface under different H coverage: A DFT study. APPLIED SURFACE SCIENCE[J]. 2020, 502: https://www.webofscience.com/wos/woscc/full-record/WOS:000498639000001.
[89] Meng, Yu, Liu, XiaoYan, Bai, MiaoMiao, Wang, Ying, Chen, Juan, Ma, YaJun, Cao, Dongbo, Wen, XiaoDong. DFT study on H-2 and H adsorption and the electronic properties of single atom Cu modified Fe (111) surface. APPLIEDSURFACESCIENCE[J]. 2020, 505: http://dx.doi.org/10.1016/j.apsusc.2019.144526.
[90] Congyi Wu, Lili Lin, Jinjia Liu, Jingpeng Zhang, Feng Zhang, Tong Zhou, Ning Rui, Siyu Yao, Yuchen Deng, Feng Yang, Wenqian Xu, Jun Luo, Yue Zhao, Binhang Yan, XiaoDong Wen, Jos A Rodriguez, Ding Ma. Inverse ZrO2/Cu as a highly efficient methanol synthesis catalyst from CO2 hydrogenation. NATURE COMMUNICATIONS[J]. 2020, 11(1): https://doaj.org/article/bc6e9e1562024fb299c9ebf41812fd6d.
[91] Dai, Xin, Bai, Jin, Yuan, Ping, Du, Shiyu, Li, Dongtao, Wen, Xiaodong, Li, Wen. The application of molecular simulation in ash chemistry of coal. CHINESE JOURNAL OF CHEMICAL ENGINEERING[J]. 2020, 28(11): 2723-2732, http://lib.cqvip.com/Qikan/Article/Detail?id=7103616459.
[92] Zeledon, Jorge Arturo Hernandez, Romero, Aldo H, Ren, Pengju, Wen, Xiaodong, Li, Yongwang, Lewis, James P. The structural information filtered features (SIFF) potential: Maximizing information stored in machine-learning descriptors for materials prediction. JOURNAL OF APPLIED PHYSICS[J]. 2020, 127(21): http://dx.doi.org/10.1063/5.0002252.
[93] Zhao, Jiaojiao, He, Yurong, Wang, Fei, Zheng, Wentao, Huo, Chunfang, Liu, Xi, Jiao, Haijun, Yang, Yong, Li, Yongwang, Wen, Xiaodong. Suppressing Metal Leaching in a Supported Co/SiO2 Catalyst with Effective Protectants in the Hydroformylation Reaction. ACS CATALYSIS[J]. 2020, 10(2): 914-920, https://www.webofscience.com/wos/woscc/full-record/WOS:000508466700001.
[94] Xing, Mengjiao, Pathak, AmarDeep, Sanyal, Suchismita, Peng, Qing, Liu, Xingchen, Wen, Xiaodong. Temperature-dependent surface free energy and the Wulff shape of iron and iron carbide nanoparticles: A molecular dynamics study. APPLIED SURFACE SCIENCE[J]. 2020, 509: http://dx.doi.org/10.1016/j.apsusc.2019.144859.
[95] Yi, Fengjiao, Chen, Yunlei, Tao, Zhichao, Hu, Caixia, Yi, Xianfeng, Zheng, Anmin, Wen, Xiaodong, Yun, Yifeng, Yang, Yong, Li, Yongwang. Origin of weak Lewis acids on silanol nests in dealuminated zeolite Beta (vol 380, pg 204, 2019). JOURNAL OF CATALYSISnull. 2020, 385: 345-346, https://www.webofscience.com/wos/woscc/full-record/WOS:000543001200034.
[96] Zhu, Ling, Liu, Chunli, Wen, Xiaodong, Li, YongWang, Jiao, Haijun. Coverage-Dependent Water Dissociative Adsorption Properties on Nickel Surfaces. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2020, 124(47): 25835-25845, https://www.webofscience.com/wos/woscc/full-record/WOS:000595545800021.
[97] Ma, Huan, Jiao, Yueyue, Guo, Wenping, Liu, Xingchen, Li, Yongwang, Wen, XiaoDong. Predicting Crystal Morphology Using a Geometric Descriptor: A Comparative Study of Elemental Crystals with High-Throughput DFT Calculations. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2020, 124(29): 15920-15927, https://www.webofscience.com/wos/woscc/full-record/WOS:000555507000027.
[98] Liu Chunli, Zhu Ling, Wen Xiaodong, Yang Yong, Li YongWang, Jiao Haijun. Hydrogen Adsorption on Ir(111), Ir(100) and Ir(110)-Surface and Coverage Dependence. SURFACE SCIENCE[J]. 2020, 692: http://dx.doi.org/10.1016/j.susc.2019.121514.
[99] Li, Teng, Wen, Xiaodong, Yang, Yong, Li, YongWang, Jiao, Haijun. Mechanistic Aspects of CO Activation and C-C Bond Formation on the Fe/C- and Fe-Terminated Fe3C(010) Surfaces. ACS CATALYSIS[J]. 2020, 10(1): 877-890, https://www.webofscience.com/wos/woscc/full-record/WOS:000506725100095.
[100] Wang, Yuanshen, Zhao, Yufei, Liu, Jinjia, Li, Zhenhua, Waterhouse, Geoffrey I N, Shi, Run, Wen, Xiaodong, Zhang, Tierui. Manganese Oxide Modified Nickel Catalysts for Photothermal CO Hydrogenation to Light Olefins. ADVANCED ENERGY MATERIALS[J]. 2020, 10(5): https://www.webofscience.com/wos/woscc/full-record/WOS:000502934000001.
[101] Li, Siwei, Liu, Jinjia, Yin, Zhen, Ren, Pengju, Lin, Lili, Gong, Yue, Yang, Ce, Zheng, Xusheng, Cao, Ruochen, Yao, Siyu, Deng, Yuchen, Liu, Xi, Gu, Lin, Zhou, Wu, Zhu, Junfa, Wen, Xiaodong, Xu, Bingjun, Ma, Ding. Impact of the Coordination Environment on Atomically Dispersed Pt Catalysts for Oxygen Reduction Reaction. ACS CATALYSIS[J]. 2020, 10(1): 907-+, https://www.webofscience.com/wos/woscc/full-record/WOS:000506725100098.
[102] Wan, Hongliu, Liu, XingWu, Qing, Ming, Peng, Qing, Zhang, Yu, Liu, Suyao, Wang, Hong, Wen, XiaoDong, Yang, Yong, Li, YongWang. Surface structure and morphology evolution of iron borides under dynamic conditions: A theoretical study. APPLIED SURFACE SCIENCE[J]. 2020, 525: http://dx.doi.org/10.1016/j.apsusc.2020.146462.
[103] Li, Linge, Qing, Ming, Liu, Xingwu, Wang, Hong, Liu, Suyao, Zhang, Yu, Wan, Hongliu, Wen, Xiaodong, Yang, Yong, Li, Yongwang. Efficient One-Pot Synthesis of Higher Alcohols from Syngas Catalyzed by Iron Nitrides. CHEMCATCHEM[J]. 2020, 12(7): 1939-1943, https://www.webofscience.com/wos/woscc/full-record/WOS:000524416600011.
[104] Shen, Xianfeng, Zhang, Tianfu, Suo, HaiYun, Yan, Lai, Huang, Lichun, Ma, Chenwei, Li, Linge, Wen, Xiaodong, Li, Yongwang, Yang, Yong. A facile one-pot method for synthesis of single phase Co2C with magnetic properties. MATERIALS LETTERS[J]. 2020, 271: http://dx.doi.org/10.1016/j.matlet.2020.127783.
[105] Wan, Hongliu, Liu, XingWu, Qing, Ming, Liu, JinJia, Zhang, Yu, Liu, Suyao, Wang, Hong, Wen, XiaoDong, Yang, Yong, Li, YongWang. Insight into the magnetic moment of iron borides: theoretical consideration from the local coordinative and electronic environment. DALTON TRANSACTIONS[J]. 2020, 49(7): 2168-2175, https://www.webofscience.com/wos/woscc/full-record/WOS:000515660700015.
[106] Niu, Liwei, Liu, Xingwu, Wen, Xiaodong, Yang, Yong, Xu, Jian, Li, Yongwang. Effect of potassium promoter on phase transformation during H-2 pretreatment of a Fe2O3 Fischer Tropsch synthesis catalyst precursor. CATALYSIS TODAY[J]. 2020, 343: 101-111, http://dx.doi.org/10.1016/j.cattod.2019.01.054.
[107] Lei, Tingyu, Guo, Wenping, Liu, Qingya, Jiao, Haijun, Cao, DongBo, Teng, Botao, Li, YongWang, Liu, Xingchen, Wen, XiaoDong. Mechanism of Graphene Formation via Detonation Synthesis: A DFTB Nanoreactor Approach. JOURNAL OF CHEMICAL THEORY AND COMPUTATION[J]. 2019, 15(6): 3654-3665, https://www.webofscience.com/wos/woscc/full-record/WOS:000471728500019.
[108] Liu, Chunli, Zhu, Ling, Ren, Pengju, Wen, Xiaodong, Li, YongWang, Jiao, Haijun. High-Coverage CO Adsorption and Dissociation on Ir(111), Ir(100), and Ir(110) from Computations. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2019, 123(11): 6487-6495, https://www.webofscience.com/wos/woscc/full-record/WOS:000462260700020.
[109] Hao Wu, Pengju Ren, Peng Zhao, Zhongmiao Gong, Xiaodong Wen, Yi Cui, Qiang Fu, Xinhe Bao. Dynamic nanoscale imaging of enriched CO adlayer on Pt(111)confined under h-BN monolayer in ambient pressure atmospheres. 纳米研究:英文版[J]. 2019, 12(1): 85-90, http://lib.cqvip.com/Qikan/Article/Detail?id=7001569854.
[110] Yin, Junqing, He, Yurong, Liu, Xingchen, Zhou, Xiong, Huo, ChunFang, Guo, Wenping, Peng, Qing, Yang, Yong, Jiao, Haijun, Li, YongWang, Wen, XiaoDong. Visiting CH4 formation and C-1 + C-1 couplings to tune CH4 selectivity on Fe surfaces. JOURNAL OF CATALYSIS[J]. 2019, 372: 217-225, http://dx.doi.org/10.1016/j.jcat.2019.03.007.
[111] Li, Teng, Wen, Xiaodong, Li, YongWang, Jiao, Haijun. Surface Carbon Hydrogenation on Precovered Fe(110) with Spectator-Coverage-Dependent Chain Initiation and Propagation. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2019, 123(42): 25657-25667, https://www.webofscience.com/wos/woscc/full-record/WOS:000492803300016.
[112] Gao, Rui, Liu, Xingchen, Cao, Zhi, Liu, XingWu, Lu, Kuan, Ma, Ding, Yang, Yong, Li, YongWang, Hoffmann, Roald, Wen, XiaoDong. Carbon Permeation: The Prerequisite Elementary Step in Iron-Catalyzed Fischer-Tropsch Synthesis. CATALYSIS LETTERS[J]. 2019, 149(3): 645-664, https://www.webofscience.com/wos/woscc/full-record/WOS:000458626600001.
[113] Lin, Lili, Yao, Siyu, Gao, Rui, Liang, Xuan, Yu, Qiaolin, Deng, Yuchen, Liu, Jinjia, Peng, Mi, Jiang, Zheng, Li, Siwei, Li, YongWang, Wen, XiaoDong, Zhou, Wu, Ma, Ding. A highly CO-tolerant atomically dispersed Pt catalyst for chemoselective hydrogenation. NATURE NANOTECHNOLOGY[J]. 2019, 14(4): 354-+, https://www.webofscience.com/wos/woscc/full-record/WOS:000463195700017.
[114] Liu, Jinjia, Xu, Aiju, Meng, Yu, He, Yurong, Ren, Pengju, Guo, WenPing, Peng, Qing, Yang, Yong, Jiao, Haijun, Li, Yongwang, Wen, XiaoDong. From predicting to correlating the bonding properties of iron sulfide phases. COMPUTATIONAL MATERIALS SCIENCE[J]. 2019, 164: 99-107, http://dx.doi.org/10.1016/j.commatsci.2019.04.001.
[115] Ito, Hiroaki, Miura, Akira, Goto, Yosuke, Mizuguchi, Yoshikazu, Moriyoshi, Chikako, Kuroiwa, Yoshihiro, Azuma, Masaki, Liu, Jinjia, Wen, XiaoDong, Nishioka, Shunta, Maeda, Kazuhiko, Masubuchi, Yuji, RoseroNavarro, Nataly Carolina, Tadanaga, Kiyoharu. An electronic structure governed by the displacement of the indium site in In-S-6 octahedra: LnOInS(2) (Ln = La, Ce, and Pr). DALTON TRANSACTIONS[J]. 2019, 48(32): 12272-12278, [116] Sun, Xiaodong, Liu, Xingwu, Liu, Xingchen, Meng, Yu, Song, Chang, Yang, Yong, Li, YongWang, Wen, XiaoDong. Exploration of Properties from Both the Bulk and Surface of Iron Silicides: A Unified Theoretical Study. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2019, 123(18): 11939-11949, [117] Yi, Fengjiao, Chen, Yunlei, Tao, Zhichao, Hu, Caixia, Yi, Xianfeng, Zheng, Anmin, Wen, Xiaodong, Yun, Yifeng, Yang, Yong, Li, Yongwang. Origin of weak Lewis acids on silanol nests in dealuminated zeolite Beta. JOURNAL OF CATALYSIS[J]. 2019, 380: 204-214, http://dx.doi.org/10.1016/j.jcat.2019.10.008.
[118] Ma, Yuanyuan, Yang, Yu, Lu, Chunxiang, Wen, Xiaodong, Liu, Xingchen, Wu, Shijie, Lu, Kuan, Yin, Junqing. Enhanced thermal resistance of carbon/phenolic composites by addition of novel nano-g-C3N4. COMPOSITES SCIENCE AND TECHNOLOGY[J]. 2019, 180: 60-70, http://dx.doi.org/10.1016/j.compscitech.2019.05.005.
[119] Liu, Jinjia, Yang, Tao, Xu, Aiju, Martin, Richard L, Yang, Yong, Jiao, Haijun, Li, Yongwang, Wen, XiaoDong. Predication of screened hybrid functional on transition metal monoxides: From Mott insulator to charge transfer insulator. JOURNAL OF ALLOYS AND COMPOUNDS[J]. 2019, 808: http://dx.doi.org/10.1016/j.jallcom.2019.151707.
[120] Sun, Xiaodong, Liu, Xingwu, Liu, Jinjia, He, Yurong, Yin, Junqing, Song, Chang, Lv, Zhengang, Bai, Yiling, Li, YongWang, Yang, Yong, Wen, XiaoDong. Elucidation of The Influence of Cu Promoter on Carburization Prior to Iron-Based Fischer-Tropsch Synthesis: an In situ X-Ray Diffraction Study. CHEMCATCHEM[J]. 2019, 11(2): 715-723, https://www.webofscience.com/wos/woscc/full-record/WOS:000459734900010.
[121] Liu, Jingge, He, Yurong, Yan, Linlin, Li, Ke, Zhang, Chenghua, Xiang, Hongwei, Wen, Xiaodong, Li, Yongwang. Nano- sized ZrO2 derived from metal- organic frameworks and their catalytic performance for aromatic synthesis from syngas. CATALYSIS SCIENCE & TECHNOLOGY[J]. 2019, 9(11): 2982-2992, [122] Zhao, Peng, He, Yurong, Cao, DongBo, Xiang, Hongwei, Jiao, Haijun, Yang, Yong, Li, YongWang, Wen, XiaoDong. CO Self-Promoting Hydrogenation on CO-Saturated Ru(0001): A New Theoretical Insight into How H-2 Participates in CO Activation. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2019, 123(11): 6508-6515, [123] Huang, Fei, Deng, Yuchen, Chen, Yunlei, Cai, Xiangbin, Peng, Mi, Jia, Zhimin, Xie, Jinglin, Xiao, Dequan, Wen, Xiaodong, Wang, Ning, Jiang, Zheng, Liu, Hongyang, Ma, Ding. Anchoring Cu-1 species over nanodiamond-graphene for semi-hydrogenation of acetylene. NATURE COMMUNICATIONS[J]. 2019, 10(1): [124] Zhang, Jiayun, Deng, Yuchen, Cai, Xiangbin, Chen, Yunlei, Peng, Mi, Jia, Zhimin, Jiang, Zheng, Ren, Pengju, Yao, Siyu, Xie, Jinglin, Xiao, Dequan, Wen, Xiaodong, Wang, Ning, Liu, Hongyang, Ma, Ding. Tin-Assisted Fully Exposed Platinum Clusters Stabilized on Defect-Rich Graphene for Dehydrogenation Reaction. ACS CATALYSIS[J]. 2019, 9(7): 5998-6005, [125] Wu Hao, Ren Pengju, Zhao Peng, Gong Zhongmiao, Wen Xiaodong, Cui Yi, Fu Qiang, Bao Xinhe. Dynamic nanoscale imaging of enriched CO adlayer on Pt(111) confined under h-BN monolayer in ambient pressure atmospheres. NANO RESEARCH[J]. 2019, 12(1): 85-90, http://sciencechina.cn/gw.jsp?action=detail.jsp&internal_id=6455269&detailType=1.
[126] Wang, Shuyuan, Xu, Dan, Zhao, Jiaojiao, Zheng, Wentao, Hu, Caixia, Wen, Xiaodong, Yang, Yong, Li, Yongwang. Investigation of the effects of phosphorus on the selective hydrodeoxygenation of anisole over an Fe/SiO2 catalyst. CATALYSIS SCIENCE & TECHNOLOGY[J]. 2019, 9(20): 5712-5724, https://www.webofscience.com/wos/woscc/full-record/WOS:000490981500015.
[127] Dai, Xin, Bai, Jin, Huang, Qing, Liu, Zhen, Bai, Xiaojing, Cao, Ronggen, Wen, Xiaodong, Li, Wen, Du, Shiyu. Viscosity temperature properties from molecular dynamics simulation: The role of calcium oxide, sodium oxide and ferrous oxide. FUEL[J]. 2019, 237: 163-169, http://dx.doi.org/10.1016/j.fuel.2018.09.127.
[128] Xu, Dan, Wang, Shuyuan, Wu, Baoshan, Zhang, Bin, Qin, Yong, Huo, Chunfang, Huang, Lihua, Wen, Xiaodong, Yang, Yong, Li, Yongwang. Highly Dispersed Single-Atom Pt and Pt Clusters in the Fe-Modified KL Zeolite with Enhanced Selectivity for n-Heptane Aromatization. ACS APPLIED MATERIALS & INTERFACES[J]. 2019, 11(33): 29858-29867, http://dx.doi.org/10.1021/acsami.9b08137.
[129] Dai, Yitao, Ren, Pengju, Li, Yaru, Lv, Dongdong, Shen, Yanbin, Li, Yongwang, Niemantsverdriet, Hans, Besenbacher, Flemming, Xiang, Hongwei, Hao, Weichang, Lock, Nina, Wen, Xiaodong, Lewis, James P, Su, Ren. Solid Base Bi24O31Br10(OH) with Active Lattice Oxygen for the Efficient Photo-Oxidation of Primary Alcohols to Aldehydes. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION[J]. 2019, 58(19): 6265-6270, http://dx.doi.org/10.1002/anie.201900773.
[130] Liu, Suyao, He, Yurong, Zhang, Huaike, Chen, Zhiqiang, Lv, Enjing, Ren, Jie, Yun, Yifeng, Wen, Xiaodong, Li, YongWang. Design and synthesis of Ga- doped ZSM-22 zeolites as highly selective and stable catalysts for n- dodecane isomerization. CATALYSIS SCIENCE & TECHNOLOGY[J]. 2019, 9(11): 2812-2827, https://www.webofscience.com/wos/woscc/full-record/WOS:000470710300007.
[131] Niu, Liwei, Liu, Xingwu, Liu, Jinjia, Liu, Xi, Wen, Xiaodong, Yang, Yong, Xu, Jian, Li, Yongwang. Tuning carburization behaviors of metallic iron catalysts with potassium promoter and CO/syngas/C2H4/C2H2 gases. JOURNAL OF CATALYSIS[J]. 2019, 371: 333-345, http://dx.doi.org/10.1016/j.jcat.2019.02.013.
[132] Lu, Kuan, Huo, ChunFang, He, Yurong, Guo, WenPing, Peng, Qing, Yang, Yong, Li, YongWang, Wen, XiaoDong. The structure-activity relationship of Fe nanoparticles in CO adsorption and dissociation by reactive molecular dynamics simulations. JOURNAL OF CATALYSIS[J]. 2019, 374: 150-160, http://dx.doi.org/10.1016/j.jcat.2019.04.010.
[133] Zhao, Peng, Cao, Zhi, Liu, Xingchen, Ren, Pengju, Cao, DongBo, Xiang, Hongwei, Jiao, Haijun, Yang, Yong, Li, YongWang, Wen, XiaoDong. Morphology and Reactivity Evolution of HCP and FCC Ru Nanoparticles under CO Atmosphere. ACS CATALYSIS[J]. 2019, 9(4): 2768-2776, http://dx.doi.org/10.1021/acscatal.8b05074.
[134] Lu, Xiaofei, Liu, Yang, He, Yurong, Kuhn, Andrew N, Shih, PeiChieh, Sun, ChengJun, Wen, Xiaodong, Shi, Chuan, Yang, Hong. Cobalt-Based Nonprecious Metal Catalysts Derived from Metal-Organic Frameworks for High-Rate Hydrogenation of Carbon Dioxide. ACS APPLIED MATERIALS & INTERFACES[J]. 2019, 11(31): 27717-27726, [135] Meng, Yu, Liu, XingWu, Bai, Miaomiao, Guo, WenPing, Cao, DongBo, Yang, Yong, Li, YongWang, Wen, XiaoDong. Prediction on morphologies and phase equilibrium diagram of iron oxides nanoparticles. APPLIED SURFACE SCIENCE[J]. 2019, 480: 478-486, http://dx.doi.org/10.1016/j.apsusc.2019.03.005.
[136] Zhang, Liwei, Zhang, Huaike, Chen, Zhiqiang, Ning, Qiang, Liu, Suyao, Ren, Jie, Wen, Xiaodong, Li, YongWang. Insight into the impact of Al distribution on the catalytic performance of 1-octene aromatization over ZSM-5 zeolite. CATALYSIS SCIENCE & TECHNOLOGY[J]. 2019, 9(24): 7034-7044, [137] Zhu, Ling, Liu, Chunli, Wen, Xiaodong, Li, YongWang, Jiao, Haijun. Coverage dependent structure and energy of water dissociative adsorption on clean and O-pre-covered Ni (100) and Ni(110). CATALYSIS SCIENCE & TECHNOLOGY[J]. 2019, 9(17): 4725-4743, [138] Li, Teng, Wen, Xiaodong, Li, YongWang, Jiao, Haijun. Mechanistic insight into CO activation, methanation and C-C bond formation from coverage dependent CO hydrogenation on Fe(110). SURFACE SCIENCE[J]. 2019, 689: 121456-, http://dx.doi.org/10.1016/j.susc.2019.121456.
[139] Zhu, Ling, Liu, Chunli, Wen, Xiaodong, Li, YongWang, Jiao, Haijun. Molecular or dissociative adsorption of water on clean and oxygen pre-covered Ni(111) surfaces. CATALYSISSCIENCETECHNOLOGY[J]. 2019, 9(1): 199-212, https://www.webofscience.com/wos/woscc/full-record/WOS:000454918600017.
[140] Luo, Dan, Ren, Pengju, Liu, Xingchen, Gao, Rui, Zhou, Yuwei, Guo, Wenping, Yang, Yong, Li, YongWang, Wen, XiaoDong. Tailoring the Electronic Structure and Chemical Activity of Iron via Confining into Two-Dimensional Materials. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2018, 122(42): 24037-24045, https://www.webofscience.com/wos/woscc/full-record/WOS:000448754300024.
[141] Tavadze, Pedram, Franco, Guillermo Avendano, Ren, Pengju, Wen, Xiaodong, Li, Yongwang, Lewis, James P. A Machine-Driven Hunt for Global Reaction Coordinates of Azobenzene Photoisomerization. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2018, 140(1): 285-290, https://www.webofscience.com/wos/woscc/full-record/WOS:000422813300056.
[142] Deng, Yuchen, Gao, Rui, Lin, Lili, Liu, Tong, Wen, XiaoDong, Wang, Shuai, Ma, Ding. Solvent Tunes the Selectivity of Hydrogenation Reaction over alpha-MoC Catalyst. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2018, 140(43): 14481-14489, https://www.webofscience.com/wos/woscc/full-record/WOS:000449239700059.
[143] Li, Siwei, Ren, Pengju, Yang, Ce, Liu, Xi, Yin, Zhen, Li, Weizhen, Yang, Hanjun, Li, Jian, Wang, Xiaoping, Wang, Yi, Cao, Ruochen, Lin, Lili, Yao, Siyu, Wen, Xiaodong, Ma, Ding. Fe5C2 nanoparticles as low-cost HER electrocatalyst: the importance of Co substitution. SCIENCE BULLETIN[J]. 2018, 63(20): 1358-1363, http://lib.cqvip.com/Qikan/Article/Detail?id=6100052448.
[144] Wei, Yuxue, Luo, Dan, Zhang, Chenghua, Liu, Jingge, He, Yurong, Wen, Xiaodong, Yang, Yong, Li, Yongwang. Precursor controlled synthesis of graphene oxide supported iron catalysts for Fischer-Tropsch synthesis. CATALYSIS SCIENCE & TECHNOLOGY[J]. 2018, 8(11): 2883-2893, https://www.webofscience.com/wos/woscc/full-record/WOS:000434386000015.
[145] Huang, Fei, Deng, Yuchen, Chen, Yunlei, Cai, Xiangbin, Peng, Mi, Jia, Zhimin, Ren, Pengju, Xiao, Dequan, Wen, Xiaodong, Wang, Ning, Liu, Hongyang, Ma, Ding. Atomically Dispersed Pd on Nanodiamond/Graphene Hybrid for Selective Hydrogenation of Acetylene. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2018, 140(41): 13142-13146, http://dx.doi.org/10.1021/jacs.8b07476.
[146] 葛玉振, 林丽利, 姚思宇, 周武, 温晓东, 石川, 马丁. 适用于氢气低温制备与高效存储的催化新体系. 科学通报[J]. 2018, 63(21): 2140-2147, http://lib.cqvip.com/Qikan/Article/Detail?id=676046326.
[147] 杨涛, 刘金家, 王艳丹, 温晓东, 申宝剑. CO2在Fe3O4（111）表面的吸附结构及能量研究. 燃料化学学报[J]. 2018, 46(9): 46(9): 1113-1120, http://lib.cqvip.com/Qikan/Article/Detail?id=7000823415.
[148] Ramos, Manuel, Manuel Dominguez, Jose, Ramirez Solis, Jorge, Wen, Xiaodong. CATALYTIC ENGINEERED MATERIALS FOR COMMERCIAL AND INDUSTRIAL ENERGY APPLICATIONS Introduction. JOURNAL OF MATERIALS RESEARCHnull. 2018, 33(21): 3539-3539, https://www.webofscience.com/wos/woscc/full-record/WOS:000450426000001.
[149] Xu, Dan, Wang, Shuyuan, Wu, Baoshan, Huo, Chunfang, Qin, Yong, Zhang, Bin, Yin, Junqing, Huang, Lihua, Wen, Xiaodong, Yang, Yong, Li, Yongwang. Tailoring Pt locations in KL zeolite by improved atomic layer deposition for excellent performance in n-heptane aromatization. JOURNAL OF CATALYSIS[J]. 2018, 365: 163-173, http://dx.doi.org/10.1016/j.jcat.2018.07.001.
[150] Wei, Yuxue, Zhang, Chenghua, Liu, Xi, Wang, Yi, Chang, Qiang, Qing, Ming, Wen, Xiaodong, Yang, Yong, Li, Yongwang. Enhanced Fischer-Tropsch performances of graphene oxide-supported iron catalysts via argon pretreatment. CATALYSIS SCIENCE & TECHNOLOGY[J]. 2018, 8(4): 1113-1125, https://www.webofscience.com/wos/woscc/full-record/WOS:000427152800018.
[151] Wang, Wennian, Zhang, Wei, Chen, Yunlei, Wen, Xiaodong, Li, Hao, Yuan, Delin, Guo, Qiaoxia, Ren, Shenyong, Pang, Xinmei, Shen, Baojian. Mild-acid-assisted thermal or hydrothermal dealumination of zeolite beta, its regulation to Al distribution and catalytic cracking performance to hydrocarbons. JOURNAL OF CATALYSIS[J]. 2018, 362: 94-105, http://dx.doi.org/10.1016/j.jcat.2018.03.002.
[152] Ma, Yuanyuan, Yang, Yu, Lu, Chunxiang, Wen, Xiaodong, Liu, Xingchen, Lu, Kuan, Wu, Shijie, Liu, Qianxiu. Extraordinary improvement of ablation resistance of carbon/phenolic composites reinforced with low loading of graphene oxide. COMPOSITES SCIENCE AND TECHNOLOGY[J]. 2018, 167: 53-61, http://dx.doi.org/10.1016/j.compscitech.2018.07.026.
[153] Zhao, Yufei, Li, Zhenhua, Li, Mengzhu, Liu, Jinjia, Liu, Xingwu, Waterhouse, Geoffrey I N, Wang, Yuanshen, Zhao, Jiaqing, Gao, Wa, Zhang, Zhaosheng, Long, Run, Zhang, Qinghua, Gu, Lin, Liu, Xi, Wen, Xiaodong, Ma, Ding, Wu, LiZhu, Tung, ChenHo, Zhang, Tierui. Reductive Transformation of Layered-Double-Hydroxide Nanosheets to Fe-Based Heterostructures for Efficient Visible-Light Photocatalytic Hydrogenation of CO. ADVANCED MATERIALS[J]. 2018, 30(36): https://www.webofscience.com/wos/woscc/full-record/WOS:000443377100022.
[154] Yang, Tao, Feng, Junpeng, Liu, Xingchen, Wang, Yandan, Ge, Hui, Cao, Dongbo, Li, Hao, Peng, Qing, Ramos, Manuel, Wen, XiaoDong, Shen, Baojian. A combined computational and experimental study of the adsorption of sulfur containing molecules on molybdenum disulfide nanoparticles. JOURNAL OF MATERIALS RESEARCH[J]. 2018, 33(21): 3589-3603, https://www.webofscience.com/wos/woscc/full-record/WOS:000450426000007.
[155] Gao, Jian, He, Chongchong, Liu, Jianguo, Ren, Pengju, Lu, Hongbin, Feng, Jianyong, Zou, Zhigang, Yin, Zhen, Wen, Xiaodong, Tan, Xiaoyao. Polymerizable ionic liquid as a precursor for N, P co-doped carbon toward the oxygen reduction reaction. CATALYSIS SCIENCE & TECHNOLOGY[J]. 2018, 8(4): 1142-1150, https://www.webofscience.com/wos/woscc/full-record/WOS:000427152800021.
[156] 李啸, 刘兴武, 姜东, 温晓东. 单相Co2C的制备及其费-托合成催化性能研究. 燃料化学学报[J]. 2018, 46(4): 459-464, http://lib.cqvip.com/Qikan/Article/Detail?id=7000514029.
[157] Zhu, KongJie, Wang, Fang, Teng, BoTao, Wen, XiaoDong, Fan, Maohong, Liu, XiaoNa. A new insight into the theoretical design of highly dispersed and stable ceria supported metal nanoparticles. JOURNAL OF COLLOID AND INTERFACE SCIENCE[J]. 2018, 512: 775-783, http://dx.doi.org/10.1016/j.jcis.2017.09.098.
[158] Zhou, Xiong, Mannie, Gilbere J A, Yin, Junqing, Yu, Xin, Weststrate, C J, Wen, Xiaodong, Wu, Kai, Yang, Yong, Li, Yongwang, Niemantsverdriet, J W. Iron Carbidization on Thin-Film Silica and Silicon: A Near-Ambient-Pressure X-ray Photoelectron Spectroscopy and Scanning Tunneling Microscopy Study. ACS CATALYSIS[J]. 2018, 8(8): 7326-7333, https://www.webofscience.com/wos/woscc/full-record/WOS:000441112400051.
[159] Tao YANG, Jinjia LIU, Yandan WANG, Xiaodong WEN, Baojian SHEN. Structures and energetics of CO2 adsorption on the Fe3O4 (111) surface. JOURNAL OF FUEL CHEMISTRY AND TECHNOLOGY. 2018, 46(9): 1113-1120, http://dx.doi.org/10.1016/S1872-5813(18)30044-6.
[160] Chen, Yunlei, Zhang, Xiangyu, Zhao, Chunli, Yun, Yifeng, Ren, Pengju, Guo, Wenping, Lewis, James P, Yang, Yong, Li, Yongwang, Wen, XiaoDong. Computational Insights into Morphology and Interface of Zeolite Catalysts: a Case Study of K-LTL Zeolite with Different Si/Al Ratios. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2018, 122(43): 24843-24850, http://dx.doi.org/10.1021/acs.jpcc.8b08556.
[161] 林丽利, 周武, 葛玉振, 温晓东, 石川, 马丁. 氢气的低温制备和存储. 前沿科学[J]. 2018, 41-44, http://lib.cqvip.com/Qikan/Article/Detail?id=675404680.
[162] Liu, Xingchen, Wen, Xiaodong, Hoffmann, Roald. Surface Activation of Transition Metal Nanoparticles for Heterogeneous Catalysis: What We Can Learn from Molecular Dynamics. ACS CATALYSIS[J]. 2018, 8(4): 3365-3375, https://www.webofscience.com/wos/woscc/full-record/WOS:000430154100083.
[163] Dai, Xin, Bai, Jin, Huang, Qing, Liu, Zhen, Bai, Xiaojing, Lin, ChengTe, Li, Wen, Guo, Wenping, Wen, Xiaodong, Du, Shiyu. Coal ash fusion properties from molecular dynamics simulation: the role of calcium oxide. FUEL[J]. 2018, 216: 760-767, http://dx.doi.org/10.1016/j.fuel.2017.12.048.
[164] He, Yurong, Zhao, Peng, Liu, Jinjia, Guo, Wenping, Yang, Yong, Li, YongWang, Huo, ChunFang, Wen, XiaoDong. Suppression by Pt of CO adsorption and dissociation and methane formation on Fe5C2(100) surfaces. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2018, 20(39): 25246-25255, https://www.webofscience.com/wos/woscc/full-record/WOS:000448345400009.
[165] 牛晓晨, 曹东波, 张斌, 刘星辰, 温晓东, 覃勇, 王建国. 铁酸锌（311）表面结构的密度泛函理论研究. 燃料化学学报[J]. 2018, 46(8): 985-991, http://lib.cqvip.com/Qikan/Article/Detail?id=676075900.
[166] Cao, Zhi, Derrick, Jeffrey S, Xu, Jun, Gao, Rui, Gong, Ming, Nichols, Eva M, Smith, Peter T, Liu, Xingwu, Wen, Xiaodong, Coperet, Christophe, Chang, Christopher J. Chelating N-Heterocyclic Carbene Ligands Enable Tuning of Electrocatalytic CO2 Reduction to Formate and Carbon Monoxide: Surface Organometallic Chemistry. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION[J]. 2018, 57(18): 4981-4985, https://www.webofscience.com/wos/woscc/full-record/WOS:000432382800026.
[167] Zhao, Peng, Ren, Pengju, Weststrate, C J KeesJan, Xu, Yuqun, Cao, DongBo, Xiang, Hongwei, Xu, Jian, Yang, Yong, Li, YongWang, Niemantsverdriet, J W Hans, Wen, Xiaodong, Yu, Xin. Intercalation Mechanisms of Fe Atoms underneath A Graphene Monolayer on Ru(0001). JOURNALOFPHYSICALCHEMISTRYC[J]. 2018, 122(40): 22903-22910, https://www.webofscience.com/wos/woscc/full-record/WOS:000447471700012.
[168] Li, Teng, Wen, Xiaodong, Li, YongWang, Jiao, Haijun. Successive Dissociation of CO, CH4, C2H6, and CH3CHO on Fe(110): Retrosynthetic Understanding of FTS Mechanism. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2018, 122(50): 28846-28855, https://www.webofscience.com/wos/woscc/full-record/WOS:000454566700041.
[169] 林丽利, 葛玉振, 周武, 温晓东, 石川, 马丁. 低温高效甲醇水液相重整产氢催化剂的开发与研究. 中国科学基金[J]. 2018, 32(4): 376-381, http://lib.cqvip.com/Qikan/Article/Detail?id=675733404.
[170] Li, Zhenhua, Liu, Jinjia, Zhao, Yufei, Waterhouse, Geoffrey I N, Chen, Guangbo, Shi, Run, Zhang, Xin, Liu, Xingwu, Wei, Yinmao, Wen, XiaoDong, Wu, LiZhu, Tung, ChenHo, Zhang, Tierui. Co-Based Catalysts Derived from Layered-Double-Hydroxide Nanosheets for the Photothermal Production of Light Olefins. ADVANCED MATERIALS[J]. 2018, 30(31): http://dx.doi.org/10.1002/adma.201800527.
[171] Siwei Li, Pengju Ren, Ce Yanga, Xi Liu, Zhen Yin, Weizhen Li, Hanjun Yang, Jian Li, Xiaoping Wang, Yi Wang, Ruochen Cao, Lili Lin, Siyu Yao, Xiaodong Wen, Ding Ma. Fe5C2 nanoparticles as low-cost HER electrocatalyst:the importance of Co substitution. 科学通报:英文版[J]. 2018, 63(20): 1358-1363, http://lib.cqvip.com/Qikan/Article/Detail?id=6100052448.
[172] He, Yurong, Zhao, Peng, Meng, Yu, Guo, Wenping, Yang, Yong, Li, YongWang, Huo, ChunFang, Wen, XiaoDong. Hunting the Correlation between Fe5C2 Surfaces and Their Activities on CO: The Descriptor of Bond Valence. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2018, 122(5): 2806-2814, https://www.webofscience.com/wos/woscc/full-record/WOS:000424955400039.
[173] Zhang, Chenghua, Guo, Xiaoxue, Yuan, Qingchun, Zhang, Rongle, Chang, Qiang, Li, Ke, Xiao, Bo, Liu, Suyao, Ma, Caiping, Liu, Xi, Xu, Yuqun, Wen, Xiaodong, Yang, Yong, Li, Yongwang. Ethyne-Reducing Metal-Organic Frameworks to Control Fabrications of Core/shell Nanoparticles as Catalysts. ACS CATALYSIS[J]. 2018, 8(8): 7120-7130, http://dx.doi.org/10.1021/acscatal.8b01691.
[174] Sun, Maozhong, Xu, Liguang, Qu, Aihua, Zhao, Peng, Hao, Tiantian, Ma, Wei, Hao, Changlong, Wen, Xiaodong, Colombari, Felippe M, de Moura, Andre F, Kotov, Nicholas A, Xu, Chuanlai, Kuang, Hua. Site-selective photoinduced cleavage and profiling of DNA by chiral semiconductor nanoparticles. NATURECHEMISTRY[J]. 2018, 10(8): 821-830, http://dx.doi.org/10.1038/s41557-018-0083-y.
[175] Li, Qian, Niu, Wenxin, Liu, Xingchen, Chen, Ye, Wu, Xiaotong, Wen, Xiaodong, Wang, Zhongwu, Zhang, Hua, Quan, Zewei. Pressure-Induced Phase Engineering of Gold Nanostructures. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2018, 140(46): 15783-15790, https://www.webofscience.com/wos/woscc/full-record/WOS:000451496800036.
[176] Chen, Guangbo, Gao, Rui, Zhao, Yufei, Li, Zhenhua, Waterhouse, Geoffrey I N, Shi, Run, Zhao, Jiaqing, Zhang, Mengtao, Shang, Lu, Sheng, Guiyang, Zhang, Xiangping, Wen, Xiaodong, Wu, LiZhu, Tung, ChenHo, Zhang, Tierui. Alumina-Supported CoFe Alloy Catalysts Derived from Layered-Double-Hydroxide Nanosheets for Efficient Photothermal CO2 Hydrogenation to Hydrocarbons. ADVANCED MATERIALS[J]. 2018, 30(3): http://dx.doi.org/10.1002/adma.201704663.
[177] Lu, Kuan, He, Yurong, Huo, ChunFang, Guo, WenPing, Peng, Qing, Yang, Yong, Li, YongWang, Wen, XiaoDong. Developing ReaxFF to Visit CO Adsorption and Dissociation on Iron Surfaces. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2018, 122(48): 27582-27589, https://www.webofscience.com/wos/woscc/full-record/WOS:000452693300051.
[178] Xiao-Dong Wen. Chelating N-Heterocyclic Carbene Ligands Enable Tuning of Electrocatalytic CO2 Reduction to Formate and Carbon Monoxide through Surface Organometallic Chemistry. Angewandte Chemie International Edition. 2018, [179] Hou, Peidong, Zhou, Yuwei, Guo, Wenping, Ren, Pengju, Guo, Qiang, Xiang, Hongwei, Li, YongWang, Wen, XiaoDong, Yang, Yong. Rational Design of Hydrogen-Donor Solvents for Direct Coal Liquefaction. ENERGY & FUELS[J]. 2018, 32(4): 4715-4723, https://www.webofscience.com/wos/woscc/full-record/WOS:000430783300068.
[180] Cao, Zhi, Zacate, Samson B, Sun, Xiaodong, Liu, Jinjia, Hale, Elizabeth M, Carson, William P, Tyndall, Sam B, Xu, Jun, Liu, Xingwu, Liu, Xingchen, Song, Chang, Luo, Jhenghua, Cheng, MuJeng, Wen, Xiaodong, Liu, Wei. Tuning Gold Nanoparticles with Chelating Ligands for Highly Efficient Electrocatalytic CO2 Reduction. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION[J]. 2018, 57(39): 12675-12679, http://dx.doi.org/10.1002/anie.201805696.
[181] Sun, Tingting, Zhao, Shu, Chen, Wenxing, Zhai, Dong, Dong, Juncai, Wang, Yu, Zhang, Shaolong, Han, Aijuan, Gu, Lin, Yu, Rong, Wen, Xiaodong, Ren, Hanlin, Xu, Lianbin, Chen, Chen, Peng, Qing, Wang, Dingsheng, Li, Yadong. Single-atomic cobalt sites embedded in hierarchically ordered porous nitrogen-doped carbon as a superior bifunctional electrocatalyst. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA[J]. 2018, 115(50): 12692-12697, http://www.corc.org.cn/handle/1471x/2170274.
[182] Han, Xiuxiu, Tong, Xili, Liu, Xingchen, Chen, Ai, Wen, Xiaodong, Yang, Nianjun, Guo, XiangYun. Hydrogen Evolution Reaction on Hybrid Catalysts of Vertical MoS2 Nanosheets and Hydrogenated Graphene. ACS CATALYSIS[J]. 2018, 8(3): 1828-1836, https://www.webofscience.com/wos/woscc/full-record/WOS:000426804100027.
[183] Lu, Kuan, Huo, ChunFang, Guo, WenPing, Liu, XingWu, Zhou, Yuwei, Peng, Qing, Yang, Yong, Li, YongWang, Wen, XiaoDong. Development of a reactive force field for the Fe-C interaction to investigate the carburization of iron. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2018, 20(2): 775-783, https://www.webofscience.com/wos/woscc/full-record/WOS:000419219700008.
[184] Panapitiya, Gihan, AvendanoFranco, Guillermo, Ren, Pengju, Wen, Xiaodong, Li, Yongwang, Lewis, James P. Machine-Learning Prediction of CO Adsorption in Thiolated, Ag-Alloyed Au Nanoclusters. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2018, 140(50): 17508-17514, http://dx.doi.org/10.1021/jacs.8b08800.
[185] Dai, LinXiu, Wang, XinYu, Yang, ShengSong, Zhang, Tao, Ren, PengJu, Ye, JinYu, Nan, Bing, Wen, XiaoDong, Zhou, ZhiYou, Si, Rui, Yan, ChunHua, Zhang, YaWen. Intrinsic composition and electronic effects of multicomponent platinum nanocatalysts with high activity and selectivity for ethanol oxidation reaction. JOURNAL OF MATERIALS CHEMISTRY A[J]. 2018, 6(24): 11270-11280, http://dx.doi.org/10.1039/c8ta03320j.
[186] Gao, Wa, Gao, Rui, Zhao, Yufei, Peng, Mi, Song, Chuqiao, Li, Mengzhu, Li, Siwei, Liu, Jinjia, Li, Weizhen, Deng, Yuchen, Zhang, Mengtao, Xie, Jinglin, Hu, Gang, Zhang, Zhaosheng, Long, Run, Wen, XiaoDong, Ma, Ding. Photo-Driven Syngas Conversion to Lower Olefins over Oxygen-Decorated Fe5C2 Catalyst. CHEM[J]. 2018, 4(12): 2917-2928, http://dx.doi.org/10.1016/j.chempr.2018.09.017.
[187] Yang Tao, Liu Jinjia, Wang Yandan, Wen Xiaodong, Shen Baojian. CO2在Fe3O4（111）表面的吸附结构及能量研究. 燃料化学学报[J]. 2018, 46(9): 1113-1120, http://lib.cqvip.com/Qikan/Article/Detail?id=7000823415.
[188] Li, Pengkun, Zhu, Jinguo, Handoko, Albertus D, Zhang, Ruifeng, Wang, Haotian, Legut, Dominik, Wen, Xiaodong, Fu, Zhongheng, Seh, Zhi Wei, Zhang, Qianfan. High-throughput theoretical optimization of the hydrogen evolution reaction on MXenes by transition metal modification. JOURNAL OF MATERIALS CHEMISTRY A[J]. 2018, 6(10): 4271-4278, https://www.webofscience.com/wos/woscc/full-record/WOS:000428847300004.
[189] Feng, Quanchen, Zhao, Shu, He, Dongsheng, Tian, Shubo, Gu, Lin, Wen, Xiaodong, Chen, Chen, Peng, Qing, Wang, Dingsheng, Li, Yadong. Strain Engineering to Enhance the Electrooxidation Performance of Atomic-Layer Pt on Intermetallic Pt3Ga. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2018, 140(8): 2773-2776, http://dx.doi.org/10.1021/jacs.7b13612.
[190] He, Yurong, Zhao, Peng, Yin, Junqing, Guo, Wenping, Yang, Yong, Li, YongWang, Huo, ChunFang, Wen, XiaoDong. CO Direct versus H-Assisted Dissociation on Hydrogen Coadsorbed chi-Fe5C2 Fischer-Tropsch Catalysts. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2018, 122(36): 20907-20917, [191] Yuanjun Chen, Shufang Ji, Shu Zhao, Wenxing Chen, Juncai Dong, WengChon Cheong, Rongan Shen, Xiaodong Wen, Lirong Zheng, Alexandre I Rykov, Shichang Cai, Haolin Tang, Zhongbin Zhuang, Chen Chen, Qing Peng, Dingsheng Wang, Yadong Li. Enhanced oxygen reduction with single-atomic-site iron catalysts for a zinc-air battery and hydrogen-air fuel cell. NATURE COMMUNICATIONS[J]. 2018, 9(1): https://doaj.org/article/5e2ff96ad5a64630a8a91749848b6d3f.
[192] Li, Teng, Wen, Xiaodong, Li, YongWang, Jiao, Haijun. Mechanisms of CO Activation, Surface Oxygen Removal, Surface Carbon Hydrogenation, and C-C Coupling on the Stepped Fe(710) Surface from Computation. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2018, 122(27): 15505-15519, http://dx.doi.org/10.1021/acs.jpcc.8b04265.
[193] Zhu, KongJie, Liu, Jie, Yang, YanJu, Xu, YuXing, Teng, BoTao, Wen, XiaoDong, Fan, Maohong. A method to explore the quantitative interactions between metal and ceria for M/CeO2 catalysts. SURFACE SCIENCE[J]. 2018, 669: 79-86, http://dx.doi.org/10.1016/j.susc.2017.11.009.
[194] Ma, Yuanyuan, Yang, Yu, Lu, Chunxiang, Lu, Kuan, Wu, Shijie, Liu, Xingchen, Wen, Xiaodong. Comparison of graphene oxide and graphitic carbon nitride filled carbon-phenolic composites: Thermomechanical properties and role of the strong electronegativity of nanofillers. JOURNAL OF APPLIED POLYMER SCIENCE[J]. 2018, 135(25): https://www.webofscience.com/wos/woscc/full-record/WOS:000428701200002.
[195] Lu, Kuan, Huo, ChunFang, He, Yurong, Yin, Junqing, Liu, Jinjia, Peng, Qing, Guo, WenPing, Yang, Yong, Li, YongWang, Wen, XiaoDong. Grain Boundary Plays a Key Role in Carbon Diffusion in Carbon Irons Revealed by a ReaxFF Study. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2018, 122(40): 23191-23199, https://www.webofscience.com/wos/woscc/full-record/WOS:000447471700044.
[196] Liang, Yanxia, Sun, Yingjun, Wang, Xinyu, Fu, Engang, Zhang, Jian, Du, Jinlong, Wen, Xiaodong, Guo, Shaojun. High electrocatalytic performance inspired by crystalline/amorphous interface in PtPb nanoplate. NANOSCALE[J]. 2018, 10(24): 11357-11364, https://www.webofscience.com/wos/woscc/full-record/WOS:000436133400014.
[197] Meng, Qingwei, Cao, Dongbo, Zhao, Guoyan, Qiu, Chengwu, Liu, Xingchen, Wen, Xiaodong, Zhu, Yulei, Li, Yongwang. The role of water on the selective decarbonylation of 5-hydroxymethylfurfural over Pd/Al2O3 catalyst: Experimental and DFT studies. APPLIED CATALYSIS B-ENVIRONMENTAL[J]. 2017, 212: 15-22, http://dx.doi.org/10.1016/j.apcatb.2017.04.069.
[198] Zhang, Lin, Chen, Yunlei, Jiang, JinGang, Xu, Le, Guo, Wenping, Xu, Hao, Wen, XiaoDong, Wu, Peng. Facile synthesis of ECNU-20 (IWR) hollow sphere zeolite composed of aggregated nanosheets. DALTON TRANSACTIONS[J]. 2017, 46(45): 15641-15645, http://dx.doi.org/10.1039/c7dt03420b.
[199] Gong, Ming, Cao, Zhi, Liu, Wei, Nichols, Eva M, Smith, Peter T, Derrick, Jeffrey S, Liu, YiSheng, Liu, Jinjia, Wen, Xiaodong, Chang, Christopher J. Supramolecular Porphyrin Cages Assembled at Molecular-Materials Interfaces for Electrocatalytic CO Reduction. ACS CENTRAL SCIENCE[J]. 2017, 3(9): 1032-1040, https://doaj.org/article/d21e324aaa8f4db48c6a98b3f79c0c4d.
[200] Wen, Xiaodong, Yang, Yong, Li, Yongwang. Rational design of Fe-based catalysts for Fischer-Tropsch synthesis from theoretical prediction to experimental confirmation. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETYnull. 2017, 254: https://www.webofscience.com/wos/woscc/full-record/WOS:000429556702344.
[201] Zhu, Yifeng, Kong, Xiao, Yin, Junqing, You, Rui, Zhang, Bin, Zheng, Hongyan, Wen, Xiaodong, Zhu, Yulei, Li, YongWang. Covalent-bonding to irreducible SiO2 leads to high-loading and atomically dispersed metal catalysts. JOURNAL OF CATALYSIS[J]. 2017, 353: 315-324, http://dx.doi.org/10.1016/j.jcat.2017.07.030.
[202] Jia, Lingyu, Liu, Xingchen, Qiao, Yan, Pedersen, Christian Marcus, Zhang, Zhenzhou, Ge, Hui, Wei, Zhihong, Chen, Yanyan, Wen, Xiaodong, Hou, Xianglin, Wang, Yingxiong. Mechanism of the self-condensation of GlcNH(2): insights from in situ NMR spectroscopy and DFT study. APPLIED CATALYSIS B-ENVIRONMENTAL[J]. 2017, 202: 420-429, http://dx.doi.org/10.1016/j.apcatb.2016.09.058.
[203] Niu, Liwei, Liu, Xingwu, Liu, Xi, Lv, Zhengang, Zhang, Chenghua, Wen, Xiaodong, Yang, Yong, Li, Yongwang, Xu, Jian. In Situ XRD Study on Promotional Effect of Potassium on Carburization of Spray-dried Precipitated Fe2O3 Catalysts. CHEMCATCHEM[J]. 2017, 9(9): 1691-1700, https://www.webofscience.com/wos/woscc/full-record/WOS:000400982900021.
[204] Wang, Shanmin, Ge, Hui, Han, Wenpeng, Li, Yongjun, Zhang, Jianzhong, Yu, Xiaohui, Qin, Jiaqian, Quan, Zewei, Wen, Xiaodong, Li, Xuekuan, Wang, Liping, Daemen, Luke L, He, Duanwei, Zhao, Yusheng. Synthesis of Onion-Like delta-MoN Catalyst for Selective Hydrogenation. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2017, 121(35): 19451-19460, https://www.webofscience.com/wos/woscc/full-record/WOS:000410597600056.
[205] Yao, Siyu, Zhang, Xiao, Zhou, Wu, Gao, Rui, Xu, Wenqian, Ye, Yifan, Lin, Lili, Wen, Xiaodong, Liu, Ping, Chen, Bingbing, Crumlin, Ethan, Guo, Jinghua, Zuo, Zhijun, Li, Weizhen, Xie, Jinglin, Lu, Li, Kiely, Christopher J, Gu, Lin, Shi, Chuan, Rodriguez, Jose A, Ma, Ding. Atomic-layered Au clusters on alpha-MoC as catalysts for the low-temperature water-gas shift reaction. SCIENCE[J]. 2017, 357(6349): 389-+, https://www.webofscience.com/wos/woscc/full-record/WOS:000406362300042.
[206] Liu, JinJia, Meng, Yu, Ren, Pengju, Zhaorigetu, Bao, Guo, Wenping, Cao, DongBo, Li, YongWang, Jiao, Haijun, Liu, Zizhong, Jia, Meilin, Yang, Yong, Xu, Aiju, Wen, XiaoDong. Predicting the structural and electronic properties of transition metal monoxides from bulk to surface morphology. CATALYSIS TODAY[J]. 2017, 282: 96-104, http://dx.doi.org/10.1016/j.cattod.2016.08.004.
[207] Xiao-Dong Wen. Development of Reactive Force Field for Fe-C interaction to Visit Carburization of Iron. Physical Chemistry Chemical Physics. 2017, [208] Liu, Xingchen, Cao, Dongbo, Yang, Tao, Li, Hao, Ge, Hui, Ramos, Manuel, Peng, Qing, Dearden, Albert K, Cao, Zhi, Yang, Yong, Li, YongWang, Wen, XiaoDong. Insight into the structure and energy of Mo27SxOy clusters. RSC ADVANCES[J]. 2017, 7(16): 9513-9520, https://www.webofscience.com/wos/woscc/full-record/WOS:000393761600017.
[209] Lin, Lili, Zhou, Wu, Gao, Rui, Yao, Siyu, Zhang, Xiao, Xu, Wenqian, Zheng, Shijian, Jiang, Zheng, Yu, Qiaolin, Li, YongWang, Shi, Chuan, Wen, XiaoDong, Ma, Ding. Low-temperature hydrogen production from water and methanol using Pt/alpha-MoC catalysts. NATURE[J]. 2017, 544(7648): 80-+, http://ir.imr.ac.cn/handle/321006/78189.
[210] Feng, Junpeng, Liu, Jinjia, Tang, Mingxing, Zhou, Ligong, Zhang, Xiaoyin, Wen, Xiaodong, Ge, Hui, Li, Debao, Li, Xuekuan. Effect of sulfur-carbon interaction on sulfur poisoning of Ni/Al2O3 catalysts for hydrogenation. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY[J]. 2017, 42(10): 6727-6737, http://dx.doi.org/10.1016/j.ijhydene.2017.01.125.
[211] He, Heming, Majewski, Jaroslaw, Allred, David D, Wang, Peng, Wen, Xiaodong, Rector, Kirk D. Formation of solid thorium monoxide at near-ambient conditions as observed by neutron reflectometry and interpreted by screened hybrid functional calculations. JOURNAL OF NUCLEAR MATERIALS[J]. 2017, 487: 288-296, http://dx.doi.org/10.1016/j.jnucmat.2016.12.046.
[212] Li, Hao, Liu, Jinjia, Li, Jiancong, Hu, Yongfeng, Wang, Wennian, Yuan, Delin, Wang, Yandan, Yang, Tao, Li, Lei, Sun, Houxiang, Ren, Shenyong, Zhu, Xiaochun, Guo, Qaoxia, Wen, Xiaodong, Li, Yongwang, Shen, Baojian. Promotion of the Inactive Iron Sulfide to an Efficient Hydrodesulfurization Catalyst. ACS CATALYSIS[J]. 2017, 7(7): 4805-4816, https://www.webofscience.com/wos/woscc/full-record/WOS:000405360800073.
[213] Wang, Chenyu, Zhang, Lihua, Yang, Hongzhou, Pan, Jinfong, Liu, Jingyue, Dotse, Charles, Luan, Yiliang, Gao, Rui, Lin, Cuikun, Zhang, Jun, Kilcrease, James P, Wen, Xiaodong, Zou, Shouzhong, Fang, Jiye. High-Indexed Pt3Ni Alloy Tetrahexahedral Nanoframes Evolved through Preferential CO Etching. NANO LETTERS[J]. 2017, 17(4): 2204-2210, https://www.webofscience.com/wos/woscc/full-record/WOS:000399354500015.
[214] Miura, Akira, Oshima, Takayoshi, Maeda, Kazuhiko, Mizuguchi, Yoshikazu, Moriyoshi, Chikako, Kuroiwa, Yoshihiro, Meng, Yu, Wen, XiaoDong, Nagao, Masanori, Higuchia, Mikio, Tadanaga, Kiyoharu. Synthesis, structure and photocatalytic activity of layered LaOInS2. JOURNAL OF MATERIALS CHEMISTRY A[J]. 2017, 5(27): 14270-14277, http://dx.doi.org/10.1039/c7ta04440b.
[215] Zhang, Xiangyu, Wu, Hongping, Liu, Qiong, Dong, Xiaoyu, Chen, Yunlei, Yang, Zhihua, Wen, XiaoDong, Pan, Shilie. Application of the dimensional reduction formalism to Pb9-xBaxLi-2(P2O7)(2)(P4O13)(2) (x=0, 2, 6, 7): a series of phosphates with two types of isolated polyphosphate groups. DALTON TRANSACTIONS[J]. 2017, 46(14): 4678-4684, https://www.webofscience.com/wos/woscc/full-record/WOS:000398403000021.
[216] Xu, Dan, Wu, Baoshan, Ren, Pengju, Wang, Shuyuan, Huo, Chunfang, Zhang, Bin, Guo, Wenping, Huang, Lihua, Wen, Xiaodong, Qin, Yong, Yang, Yong, Li, Yongwang. Controllable deposition of Pt nanoparticles into a KL zeolite by atomic layer deposition for highly efficient reforming of n-heptane to aromatics. CATALYSIS SCIENCE & TECHNOLOGY[J]. 2017, 7(6): 1342-1350, https://www.webofscience.com/wos/woscc/full-record/WOS:000398671400009.
[217] Zhao, Peng, He, Yurong, Liu, Shaoli, Cao, DongBo, Wen, Xiaodong, Xiang, Hongwei, Li, YongWang, Jiao, Haijun. Adsorption and dissociation of H2O and CO2 on the clean and O-pre-covered Ru(0001) surface. APPLIED CATALYSIS A-GENERAL[J]. 2017, 540: 31-36, http://dx.doi.org/10.1016/j.apcata.2017.04.016.
[218] 温晓东, 杨勇, 相宏伟, 焦海军, 李永旺. 费托合成铁基催化剂的设计基础：从理论走向实践. 中国科学：化学[J]. 2017, 47(11): 1298-1311, http://lib.cqvip.com/Qikan/Article/Detail?id=674218751.
[219] Peng, Qing, Sun, Xin, Wang, Han, Yang, Yunbo, Wen, Xiaodong, Huang, Chen, Liu, Sheng, De, Suvranu. Theoretical prediction of a graphene-like structure of indium nitride: A promising excellent material for optoelectronics. APPLIED MATERIALS TODAY[J]. 2017, 7: 169-178, http://dx.doi.org/10.1016/j.apmt.2017.03.001.
[220] Liu, XingWu, Cao, Zhi, Zhao, Shu, Gao, Rui, Meng, Yu, Zhu, JianXin, Rogers, Canneron, Huo, ChunFang, Yang, Yong, Li, YongWang, Wen, XiaoDong. Iron Carbides in Fischer-Tropsch Synthesis: Theoretical and Experimental Understanding in Epsilon-Iron Carbide Phase Assignment. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2017, 121(39): 21390-21396, https://www.webofscience.com/wos/woscc/full-record/WOS:000412716300032.
[221] Tierui Zhang. Oxide-modified nickel photocatalyst for the production of hydrocarbons in visible light. ANGEW. CHEM. INT. ED.. 2016, [222] Ouyang, Gen, Zhu, KongJie, Zhang, Lei, Cui, PengFei, Teng, BoTao, Wen, XiaoDong. Effects of coordination number of Au catalyst on oxygen species and their catalytic roles. APPLIED SURFACE SCIENCE[J]. 2016, 387: 875-881, http://dx.doi.org/10.1016/j.apsusc.2016.07.027.
[223] Zhai, Peng, Xu, Cong, Gao, Rui, Liu, Xi, Li, Mengzhu, Li, Weizhen, Fu, Xinpu, Jia, Chunjiang, Xie, Jinglin, Zhao, Ming, Wang, Xiaoping, Li, YongWang, Zhang, Qianwen, Wen, XiaoDong, Ma, Ding. Highly Tunable Selectivity for Syngas-Derived Alkenes over Zinc and Sodium-Modulated Fe5C2 Catalyst. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION[J]. 2016, 55(34): 9902-9907, https://www.webofscience.com/wos/woscc/full-record/WOS:000383373000013.
[224] Zhu, KongJie, Yang, YanJu, Lang, JiaJian, Teng, BoTao, Wu, FengMin, Du, ShiYu, Wen, XiaoDong. Substrate-dependent Au-x cluster: A new insight into Au-x/CeO2. APPLIED SURFACE SCIENCE[J]. 2016, 387: 557-568, http://dx.doi.org/10.1016/j.apsusc.2016.06.163.
[225] Wang, Tong, Qiu, Nianxiang, Wen, Xiaodong, Tian, Yonghui, He, Jian, Luo, Kan, Zha, Xianhu, Zhou, Yuhong, Huang, Qing, Lang, Jiajian, Du, Shiyu. First-principles investigations on the electronic structures of U3Si2. JOURNAL OF NUCLEAR MATERIALS[J]. 2016, 469: 194-199, http://dx.doi.org/10.1016/j.jnucmat.2015.11.060.
[226] Liu, XingWu, Zhao, Shu, Meng, Yu, Peng, Qing, Dearden, Albert K, Huo, ChunFang, Yang, Yong, Li, YongWang, Wen, XiaoDong. Mossbauer Spectroscopy of Iron Carbides: From Prediction to Experimental Confirmation. SCIENTIFIC REPORTS[J]. 2016, 6: [227] He, Yurong, Zhao, Peng, Guo, Wenping, Yang, Yong, Huo, ChunFang, Li, YongWang, Wen, XiaoDong. Hagg carbide surfaces induced Pt morphological changes: a theoretical insight. CATALYSIS SCIENCE & TECHNOLOGY[J]. 2016, 6(17): 6726-6738, http://www.corc.org.cn/handle/1471x/2376366.
[228] Wen, Xiaodong, Martin, Richard, Batista, Enrique, Rudin, Sven, Scuseria, Gustavo, Yang, Yong, Jiao, Haijun, Li, YongWang. Prediction of screened hybrid functional on actinide oxides and transition metals oxides. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETYnull. 2016, 251: https://www.webofscience.com/wos/woscc/full-record/WOS:000431905704184.
[229] Yao, XiaoDan, Zhu, KongJie, Teng, BoTao, Yu, CaoMing, Zhang, YunLei, Liu, Ya, Fan, Maohong, Wen, XiaoDong. Effects of strong interactions between Ti and ceria on the structures of Ti/CeO2. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2016, 18(47): 32494-32502, https://www.webofscience.com/wos/woscc/full-record/WOS:000390436800054.
[230] Xiao-Dong Wen. Hägg Carbide Surfaces Induced Pt Morphological Changes: A Theoretical Insight. Catalysis Science & Technology. 2016, [231] Zhao, Shu, Liu, XingWu, Huo, ChunFang, Wen, XiaoDong, Guo, Wenping, Cao, Dongbo, Yang, Yong, Li, YongWang, Wang, Jianguo, Jiao, Haijun. Morphology control of K2O promoter on Hagg carbide (x-Fe5C2) under Fischer-Tropsch synthesis condition. CATALYSIS TODAY[J]. 2016, 261: 93-100, https://www.webofscience.com/wos/woscc/full-record/WOS:000366159900011.
[232] Su, Ren, Dimitratos, Nikolaos, Liu, Jinjia, Carter, Emma, Althahban, Sultan, Wang, Xueqin, Shen, Yanbin, Wendt, Stefan, Wen, Xiaodong, Niemantsverdriet, J W Hans, Iversen, Bo B, Kiely, Christopher J, Hutchings, Graham J, Besenbacher, Flemming. Mechanistic Insight into the Interaction Between a Titanium Dioxide Photocatalyst and Pd Cocatalyst for Improved Photocatalytic Performance. ACS CATALYSIS[J]. 2016, 6(7): 4239-4247, http://dx.doi.org/10.1021/acscatal.6b00982.
[233] Dai, Yiquan, Wang, Weihui, Gui, Chengqun, Wen, Xiaodong, Peng, Qing, Liu, Sheng. A first-principles study of the mechanical properties of AlN with Raman verification. COMPUTATIONAL MATERIALS SCIENCE[J]. 2016, 112(Pt.A): 342-346, http://dx.doi.org/10.1016/j.commatsci.2015.09.027.
[234] Wang, Yunwei, Ren, Pengju, Gu, Xianmo, Wen, Xiaodong, Wang, Yingyong, Guo, Xiangyun, Waclawik, Eric R, Zhu, Huaiyong, Zheng, Zhanfeng. Probing the mechanism of benzaldehyde reduction to chiral hydrobenzoin on the CNT surface under near-UV light irradiation. GREEN CHEMISTRY[J]. 2016, 18(6): 1482-1487, http://dx.doi.org/10.1039/c5gc02168e.
[235] Zheng, Longyan, Liu, Xingchen, Meng, Yu, Zhou, Yuwei, Guo, Wenping, Peng, Qing, Yang, Yong, Jiao, Haijun, Li, YongWang, Wen, XiaoDong. How far away are iron carbide clusters from the bulk?. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2016, 18(48): 32944-32951, https://www.webofscience.com/wos/woscc/full-record/WOS:000390435800037.
[236] Meng, Yu, Liu, XingWu, Huo, ChunFang, Guo, WenPing, Cao, DongBo, Peng, Qing, Dearden, Albert, Gonze, Xavier, Yang, Yong, Wang, Jianguo, Jiao, Haijun, Li, Yongwang, Wen, XiaoDong. When Density Functional Approximations Meet Iron Oxides. JOURNAL OF CHEMICAL THEORY AND COMPUTATION[J]. 2016, 12(10): 5132-5144, http://www.corc.org.cn/handle/1471x/2374775.
[237] XingWu Liu, Shu Zhao, Yu Meng, Qing Peng, Albert K Dearden, ChunFang Huo, Yong Yang, YongWang Li, XiaoDong Wen. Mössbauer Spectroscopy of Iron Carbides: From Prediction to Experimental Confirmation. SCIENTIFIC REPORTS. 2016, 6: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4870625/.
[238] Kong, Lingxue, Bai, Jin, Li, Wen, Wen, Xiaodong, Li, Xiaoming, Bai, Zongqing, Guo, Zhenxing, Li, Huaizhu. The internal and external factor on coal ash slag viscosity at high temperatures, Part 3: Effect of CaO on the pattern of viscosity-temperature curves of slag. FUEL[J]. 2016, 179: 10-16, http://dx.doi.org/10.1016/j.fuel.2016.03.063.
[239] Wen, Xiaodong, Li, YongWang, Yang, Yong, Jiao, Haijun. Fe-based catalysts for Fischer-Tropsch process: Progress on theoretical study. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETYnull. 2016, 251: https://www.webofscience.com/wos/woscc/full-record/WOS:000431903801829.
[240] Dai, Xin, He, Jian, Bai, Jin, Huang, Qing, Wen, Xiaodong, Xie, Lu, Luo, Kan, Zhang, Jian, Li, Wen, Du, Shiyu. Ash Fusion Properties from Molecular Dynamics Simulation: Role of the Ratio of Silicon and Aluminum. ENERGY & FUELS[J]. 2016, 30(3): 2407-2413, http://cas-ir.dicp.ac.cn/handle/321008/171148.
[241] Longyan Zheng, xingchen liu, Yu Meng, Yuwei Zhou, wenping guo, Qing Peng, Yong Yang, haijun jiao, yong-wang li, Xiao-Dong Wen. How far away are the iron carbide clusters from the bulks?. Physical Chemistry Chemical Physics[J]. 2016, [242] Cao, Zhi, Kim, Dohyung, Hong, Dachao, Yu, Yi, Xu, Jun, Lin, Song, Wen, Xiaodong, Nichols, Eva M, Jeong, Keunhong, Reimer, Jeffrey A, Yang, Peidong, Chang, Christopher J. A Molecular Surface Functionalization Approach to Tuning Nanoparticle Electrocatalysts for Carbon Dioxide Reduction. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2016, 138(26): 8120-8125, http://dx.doi.org/10.1021/jacs.6b02878.
[243] Wang, Zhigang, Bai, Jin, Kong, Lingxue, Wen, Xiaodong, Li, Xiaoming, Bai, Zongqing, Li, Wen, Shi, Yue. Viscosity of coal ash slag containing vanadium and nickel. FUEL PROCESSING TECHNOLOGY[J]. 2015, 136: 25-33, http://dx.doi.org/10.1016/j.fuproc.2014.07.025.
[244] Yang, YanJu, Teng, BoTao, Liu, Ya, Wen, XiaoDong. Crotonaldehyde adsorption on Ir(111), an interesting trans- and cis-configuration transformation. APPLIED SURFACE SCIENCE[J]. 2015, 357: 369-375, http://dx.doi.org/10.1016/j.apsusc.2015.09.039.
[245] Wang, Liujie, Wang, Yi, Yang, Yong, Wen, Xiaodong, Xiang, Hongwei, Li, Yongwang. Fabrication of different crystallographically oriented TiO2 nanotube arrays used in dye-sensitized solar cells. RSC ADVANCES[J]. 2015, 5(51): 41120-41124, https://www.webofscience.com/wos/woscc/full-record/WOS:000354212300077.
[246] Kong, Lingxue, Bai, Jin, Li, Wen, Wen, Xiaodong, Liu, Xingchen, Li, Xiaoming, Bai, Zongqing, Guo, Zhenxing, Li, Huaizhu. The internal and external factor on coal ash slag viscosity at high temperatures, Part 2: Effect of residual carbon on slag viscosity. FUEL[J]. 2015, 158: 976-982, http://dx.doi.org/10.1016/j.fuel.2015.06.055.
[247] Wang, Shanmin, Ge, Hui, Sun, Shouli, Zhang, Jianzhong, Liu, Fangming, Wen, Xiaodong, Yu, Xiaohui, Wang, Liping, Zhang, Yi, Xu, Hongwu, Neuefeind, Joerg C, Qin, Zhangfeng, Chen, Changfeng, Jin, Changqin, Li, Yongwang, He, Duanwei, Zhao, Yusheng. A New Molybdenum Nitride Catalyst with Rhombohedral MoS2 Structure for Hydrogenation Applications. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2015, 137(14): 4815-4822, http://ir.iphy.ac.cn/handle/311004/61045.
[248] Peng, Qing, Dearden, Albert K, Chen, XiaoJia, Huang, Chen, Wen, Xiaodong, De, Suvranu. Peculiar pressure effect on Poisson ratio of graphone as a strain damper. NANOSCALE[J]. 2015, 7(22): 9975-9979, [249] Tang, Mingxing, Zhou, Ligong, Du, Mingxian, Lyu, Zhanjun, Wen, XiaoDong, Li, Xuekuan, Ge, Hui. A novel reactive adsorption desulfurization Ni/MnO adsorbent and its hydrodesulfurization ability compared with Ni/ZnO. CATALYSIS COMMUNICATIONS[J]. 2015, 61: 37-40, http://dx.doi.org/10.1016/j.catcom.2014.11.005.
[250] Xiao-Dong Wen. High-Activity PtRuPd/C Catalyst for Direct Dimethyl Ether Fuel Cell. 2015, [251] Zha, XianHu, Luo, Kan, Li, Qiuwu, Huang, Qing, He, Jian, Wen, Xiaodong, Du, Shiyu. Role of the surface effect on the structural, electronic and mechanical properties of the carbide MXenes. EPL[J]. 2015, 111(2): http://dx.doi.org/10.1209/0295-5075/111/26007.
[252] Li, Zhisheng, Potapenko, Denis V, Rim, Kwang Taeg, FlytzaniStephanopoulos, Maria, Flynn, George W, Osgood, Richard M, Wen, XiaoDong, Batista, Enrique R. Reactions of Deuterated Methanol (CD3OD) on Fe3O4(111). JOURNALOFPHYSICALCHEMISTRYC[J]. 2015, 119(2): 1113-1120, https://www.webofscience.com/wos/woscc/full-record/WOS:000348094000028.
[253] Peng, Qing, Han, Liang, Lian, Jie, Wen, Xiaodong, Liu, Sheng, Chen, Zhongfang, Koratkar, Nikhil, De, Suvranu. Mechanical degradation of graphene by epoxidation: insights from first-principles calculations. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2015, 17(29): 19484-19490, http://dx.doi.org/10.1039/c5cp02986d.
[254] Kong, Lingxue, Bai, Jin, Li, Wen, Wen, Xiaodong, Li, Xiaoming, Bai, Zongqing, Guo, Zhenxing, Li, Huaizhu. The internal and external factor on coal ash slag viscosity at high temperatures, Part 1: Effect of cooling rate on slag viscosity, measured continuously. FUEL[J]. 2015, 158: 968-975, http://dx.doi.org/10.1016/j.fuel.2015.02.055.
[255] Liu, Shaoli, Tian, Xinxin, Wang, Tao, Wen, Xiaodong, Li, YongWang, Wang, Jianguo, Jiao, Haijun. Coverage dependent water dissociative adsorption on Fe(110) from DFT computation. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2015, 17(14): 8811-8821, https://www.webofscience.com/wos/woscc/full-record/WOS:000351933600032.
[256] Qing Peng, Liang Han, Jie Lian, Xiao-Dong Wen, Shen Liu, Zhongfang Chen, Nikhil Koratkar, Suvranu De. Mechanical Degradation of Graphene by Epoxidation: Insight from First-principles Calculations. Physical Chemistry Chemical Physics[J]. 2015, 17: 19484-, https://pubs.rsc.org/en/content/articlelanding/2015/CP/C5CP02986D.
[257] Liu, Shaoli, Tian, Xinxin, Wang, Tao, Wen, Xiaodong, Li, YongWang, Wang, Jianguo, Jiao, Haijun. Coverage Dependent Water Dissociative Adsorption on the Clean and O-Precovered Fe(111) Surfaces. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2015, 119(21): 11714-11724, http://www.corc.org.cn/handle/1471x/2376690.
[258] Zhang, Ce, Wen, XiaoDong, Teng, BoTao, Zhao, Yun, Fan, Maohong. Catalytic effects of Zr doping ion on ceria-based catalyst. FUEL PROCESSING TECHNOLOGY[J]. 2015, 131: 1-6, http://dx.doi.org/10.1016/j.fuproc.2014.11.010.
[259] Peng, Qing, Han, Liang, Wen, Xiaodong, Liu, Sheng, Chen, Zhongfang, Lian, Jie, De, Suvranu. Mechanical properties and stabilities of alpha-boron monolayers. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2015, 17(3): 2160-2168, https://www.webofscience.com/wos/woscc/full-record/WOS:000346473600072.
[260] Peng, Qing, Han, Liang, Wen, Xiaodong, Liu, Sheng, Chen, Zhongfang, Lian, Jie, De, Suvranu. Mechanical properties and stabilities of g-ZnS monolayers. RSC ADVANCES[J]. 2015, 5(15): 11240-11247, https://www.webofscience.com/wos/woscc/full-record/WOS:000348986900048.
[261] Zhao, Peng, He, Yurong, Cao, DongBo, Wen, Xiaodong, Xiang, Hongwei, Li, YongWang, Wang, Jianguo, Jiao, Haijun. High coverage adsorption and co-adsorption of CO and H-2 on Ru(0001) from DFT and thermodynamics. PHYSICALCHEMISTRYCHEMICALPHYSICS[J]. 2015, 17(29): 19446-19456, https://www.webofscience.com/wos/woscc/full-record/WOS:000358207400060.
[262] Li, Binsong, Wen, Xiaodong, Li, Ruipeng, Wang, Zhongwu, Clem, Paul G, Fan, Hongyou. Stress-induced phase transformation and optical coupling of silver nanoparticle superlattices into mechanically stable nanowires. NATURE COMMUNICATIONS[J]. 2014, 5: https://www.webofscience.com/wos/woscc/full-record/WOS:000338838700004.
[263] Ge, Hui, Wen, XiaoDong, Ramos, Manuel A, Chianelli, Russell R, Wang, Shanmin, Wane, Jianguo, Qin, Zhangfeng, Lyu, Zhanjun, Li, Xuekuan. Carbonization of Ethylenediamine Coimpregnated CoMo/Al2O3 Catalysts Sulfided by Organic Sulfiding Agent. ACS CATALYSIS[J]. 2014, 4(8): 2556-2565, https://www.webofscience.com/wos/woscc/full-record/WOS:000339983800018.
[264] Zhu, JianXin, Wen, XiaoDong, Haraldsen, J T, He, Mi, Panagopoulos, C, Chia, Elbert E M. Induced Ferromagnetism at BiFeO3/YBa2Cu3O7 Interfaces. SCIENTIFIC REPORTS[J]. 2014, 4: https://www.webofscience.com/wos/woscc/full-record/WOS:000337887700006.
[265] Teng, BoTao, Wen, XiaoDong, Fan, Maohong, Wu, FengMin, Zhang, Yulong. Choosing a proper exchange-correlation functional for the computational catalysis on surface. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2014, 16(34): 18563-18569, https://www.webofscience.com/wos/woscc/full-record/WOS:000341064600060.
[266] Singh, Surendra, Haraldsen, J T, Xiong, J, Choi, E M, Lu, P, Yi, D, Wen, X D, Liu, J, Wang, H, Bi, Z, Yu, P, Fitzsimmons, M R, MacManusDriscoll, J L, Ramesh, R, Balatsky, A V, Zhu, JianXin, Jia, Q X. Induced Magnetization in La0.7Sr0.3MnO3/BiFeO3 Superlattices. PHYSICAL REVIEW LETTERS[J]. 2014, 113(4): http://dx.doi.org/10.1103/PhysRevLett.113.047204.
[267] Ma, Zhibin, Bai, Jin, Wen, Xiaodong, Li, Xiaoming, Shi, Yue, Bai, Zongqing, Kong, Lingxue, Guo, Zhenxing, Yan, Jingchong, Li, Wen. Mineral Transformation in Char and Its Effect on Coal Char Gasification Reactivity at High Temperatures Part 3: Carbon Thermal Reaction. ENERGY & FUELS[J]. 2014, 28(5): 3066-3073, https://www.webofscience.com/wos/woscc/full-record/WOS:000336199300023.
[268] Wen, XiaoDong, Loeble, Matthias W, Batista, Enrique R, Bauer, Eve, Boland, Kevin S, Burrell, Anthony K, Conradson, Steven D, Daly, Scott R, Kozimor, Stosh A, Minasian, Stefan G, Martin, Richard L, McCleskey, Thomas M, Scott, Brian L, Shuh, David K, Tyliszczak, Tolek. Electronic structure and O K-edge XAS spectroscopy of U3O8. JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA[J]. 2014, 194: 81-87, http://dx.doi.org/10.1016/j.elspec.2014.03.005.
[269] Liu, Shaoli, Tian, Xinxin, Wang, Tao, Wen, Xiaodong, Li, YongWang, Wang, Jianguo, Jiao, Haijun. High Coverage Water Aggregation and Dissociation on Fe(100): A Computational Analysis. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2014, 118(45): 26139-26154, https://www.webofscience.com/wos/woscc/full-record/WOS:000344978000036.
[270] Wen, XiaoDong, Martin, Richard L, Henderson, Thomas M, Scuseria, Gustavo E. Density Functional Theory Studies of the Electronic Structure of Solid State Actinide Oxides. CHEMICAL REVIEWSnull. 2013, 113(2): 1063-1096, http://dx.doi.org/10.1021/cr300374y.
[271] Wen, XiaoDong, Hoffmann, Roald, Ashcroft, N W. Two-Dimensional CdSe Nanosheets and their Interaction with Stabilizing Ligands. ADVANCED MATERIALS[J]. 2013, 25(2): 261-266, http://dx.doi.org/10.1002/adma.201203184.
[272] Xiao-Dong Wen. A Screened Hybrid DFT Study (HSE) on Actinide Oxides, Nitrides and Carbides. J. Phys. Chem. C. 2013, [273] Xiao-Dong Wen. Jaibreaking Benzene Dimers. Journal of the American Chemical Society. 2012, [274] Wen, XiaoDong, Yang, Tao, Hoffmann, Roald, Ashcroft, N W, Martin, Richard L, Rudin, Sven P, Zhu, JianXin. Graphane Nanotubes. ACS NANO[J]. 2012, 6(8): 7142-7150, http://dx.doi.org/10.1021/nn302204b.
[275] Xiao-Dong Wen. Effect of SOC on actinide dioxides series, AnO2 (An=Th, Pa, U, Np, Pu and Am): A hybrid functional study. JOURNALOFCHEMICALPHYSICS. 2012, [276] Wen, XiaoDong, Rudin, Sven P, Batista, Enrique R, Clark, David L, Scuseria, Gustavo E, Martin, Richard L. Rotational Rehybridization and the High Temperature Phase of UC2. INORGANIC CHEMISTRY[J]. 2012, 51(23): 12650-12659, http://dx.doi.org/10.1021/ic301133m.
[277] Zurek, Eva, Wen, XiaoDong, Hoffmann, Roald. (Barely) Solid Li(NH3)(4): The Electronics of an Expanded Metal. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2011, 133(10): 3535-3547, https://www.webofscience.com/wos/woscc/full-record/WOS:000288410100054.
[278] Xiao-Dong Wen. Graphane sheets and crystals under high pressure. Proceedings of the National Academy of Sciences of the United States of America. 2011, [279] Wen, XiaoDong, Hoffmann, Roald, Ashcroft, N W. Benzene under High Pressure: a Story of Molecular Crystals Transforming to Saturated Networks, with a Possible Intermediate Metallic Phase. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2011, 133(23): 9023-9035, http://dx.doi.org/10.1021/ja201786y.
[280] Chen, YanYan, Dong, Mei, Qin, Zhangfeng, Wen, XiaoDong, Fan, Weibin, Wang, Jianguo. A DFT study on the adsorption and dissociation of methanol over MoS2 surface. JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL[J]. 2011, 338(1-2): 44-50, http://dx.doi.org/10.1016/j.molcata.2011.01.024.
[281] 杨涛, 温晓东, 任君, 李永旺, 王建国, 霍春芳. Fe3O4（111），（110）和（001）表面结构的密度泛函理论研究. 燃料化学学报[J]. 2010, 121-128, http://lib.cqvip.com/Qikan/Article/Detail?id=32980236.
[282] Chen, YanYan, Zhao, Xunhua, Wen, XiaoDong, Shi, XueRong, Dong, Mei, Wang, Jianguo, Jiao, Haijun. Mechanistic aspect of ethanol synthesis from methanol under CO hydrogenation condition on MoSx cluster model catalysts. JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL[J]. 2010, 329(1-2): 77-85, http://dx.doi.org/10.1016/j.molcata.2010.06.021.
[283] Wang, Zhongwu, Wen, XiaoDong, Hoffmann, Roald, Son, Jae Sung, Li, Ruipeng, Fang, ChiaChen, Smilgies, DetlefM, Hyeon, Taeghwan. Reconstructing a solid-solid phase transformation pathway in CdSe nanosheets with associated soft ligands. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA[J]. 2010, 107(40): 17119-17124, http://dx.doi.org/10.1073/pnas.1011224107.
[284] Wen, XiaoDong, Cahill, Thomas J, Hoffmann, Roald. Exploring Group 14 Structures: 1D to 2D to 3D. CHEMISTRY-A EUROPEAN JOURNAL[J]. 2010, 16(22): 6555-6566, https://www.webofscience.com/wos/woscc/full-record/WOS:000279445400019.
[285] Wen, XiaoDong, Cahill, Thomas J, Hoffmann, Roald, Miura, Akira. Tuning of Metal-Metal Bonding by Counterion Size in Hypothetical AeTiO(2) Compounds. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2009, 131(41): 14632-+, https://www.webofscience.com/wos/woscc/full-record/WOS:000271271800017.
[286] 杨涛, 温晓东, 曹东波, 李永旺, 王建国, 霍春芳. H2O在Fe3O4（111）表面吸附的结构及热力学研究. 燃料化学学报[J]. 2009, 37(4): 506-512, http://lib.cqvip.com/Qikan/Article/Detail?id=31424465.
[287] Yang, Tao, Wen, XiaoDong, Li, YongWang, Wang, Jianguo, Jiao, Haijun. Interaction of alkali metals with the Fe3O4(111) Surface. SURFACE SCIENCE[J]. 2009, 603(1): 78-83, http://dx.doi.org/10.1016/j.susc.2008.10.020.
[288] Xiao-Dong Wen. Element Lines: Bonding in the Ternary Gold Polyphosphides: Au2MP2 with M=Pb, Tl or Hg. Journal of the American Chemical Society. 2009, [289] 杨涛, 温晓东, 曹东波, 李永旺, 王建国, 霍春芳. Structures and energetics of H2O adsorption on the Fe3O4(111)surface. JOURNAL OF FUEL CHEMISRTRY AND TECHNOLOGY[J]. 2009, 37(4): 506-512, http://ir.sxicc.ac.cn/handle/0/3964.
[290] Yang, Tao, Wen, XiaoDong, Huo, ChunFang, Li, YongWang, Wang, Jianguo, Jiao, Haijun. Structure and energetics of hydrogen adsorption on Fe3O4(111). JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL[J]. 2009, 302(1-2): 129-136, http://dx.doi.org/10.1016/j.molcata.2008.12.009.
[291] Yang, Tao, Wen, XiaoDong, Huo, ChunFang, Li, YongWang, Wang, Jianguo, Jiao, Haijun. Carburization of the Fe3O4(111) surface. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2008, 112(16): 6372-6379, http://ir.sxicc.ac.cn/handle/0/2113.
[292] 温晓东. MoS2催化剂的结构及加氢脱硫机理的量子化学研究. 2007, http://ir.sxicc.ac.cn/handle/0/4270.
[293] Xiao-Dong Wen. Structure and Energy of Mo27SxCy Cluster: A density functional theory study. Journal of Physical Chemistry B. 2006, [294] Wen, XiaoDong, Li, YongWang, Wang, Jianguo, Jiao, Haijun. NO adsorption on MoSx clusters: A density functional theory study. JOURNAL OF PHYSICAL CHEMISTRY B[J]. 2006, 110(42): 21060-21068, http://ir.sxicc.ac.cn/handle/0/131.
[295] Wen, XiaoDong, Cao, Zhi, Li, YongWang, Wang, Jianguo, Jiao, Haijun. Structure and energy of Mo27SxCy clusters: A density functional theory study. JOURNAL OF PHYSICAL CHEMISTRY B[J]. 2006, 110(47): 23860-23869, http://ir.sxicc.ac.cn/handle/0/130.
[296] 曾韬, 温晓东, 李永旺, 焦海军. Density functional theory study of triangular molybdenum sulfide nanocluster and CO adsorption on it. THE JOURNAL OF PHYSICAL CHEMISTRY B[J]. 2005, 109(28): 13704-13710, http://ir.sxicc.ac.cn/handle/0/1533.
[297] 曾韬, 温晓东, 吴贵升, 李永旺, 焦海军. Density functional theory study of CO adsorption on molybdenum sulfide. THE JOURNAL OF PHYSICAL CHEMISTRY B[J]. 2005, 109(7): 2846-2854, http://ir.sxicc.ac.cn/handle/0/1532.
[298] 温晓东, 曾韬, 李永旺, 王建国, 焦海军. Surface structure and stability of MoSx model clusters. THE JOURNAL OF PHYSICAL CHEMISTRY B[J]. 2005, 109(39): 18491-18499, http://ir.sxicc.ac.cn/handle/0/1540.
[299] 彭庆, 袁晓泽, 赵帅, Zhou, Yuwei, Wen, Xiaodong, Chen, Xiaojia. Active-learning search for unitcell structures: A case study on Mg3Bi2-xSbx. COMPUTATIONAL MATERIALS SCIENCE[J]. 226: 112260-, http://dx.doi.org/10.1016/j.commatsci.2023.112260.

Devices Based on Graphene and Graphane, John Wiley & Sons, Inc, 2015-06, 第 1 作者
Innova tive Applications of Mo(W)-Based Catalysts in the Petroleum and Chemical Industry: Emerging Research and Opportunities, IGI Global, 2016-01, 第 4 作者

   

（1） 中国科学院****，主持，院级级，2014-05--2017-05
（2） 中国科学院山西煤炭化学研究所创新基金，主持，研究所（学校）级，2014-05--2017-05
（3） 中国科学院山西煤炭化学研究所煤转化重点实验室创新基金，主持，研究所（学校）级，2012-12--2014-12

（1） Theoretical Study of MoS2 Catalyst Structure and Hydrodesulfurization Mechanism，2014-08，温晓东
（2） The Effects of Dimensionality on Materials: Theoretical Insights，第七届计算纳米科学与新能源材料研讨会，2014-06，温晓东
（3） 新型屏蔽杂化泛函在核燃料相关材料体系中的应用，第十二届全国量子化学会议，2014-06，温晓东