085600-材料与化工
080501-材料物理与化学
070304-物理化学

锂/钠离子电池正负极表界面稳定性研究、界面电化学研究（与英国南安普顿大学合作研究）；锂离子电池固态电解质材料理性设计。
多价离子电池如锌离子电池正负极高通量设计
新一代金属电池关键材料高通量设计。

2015-09--2017-08   The Queen's University of Belfast   国家公派联合培养博士
2012-09--2018-01   华东理工大学   博士

   

2018-08~2021-02,University of Southampton, 博士后

功能材料前沿

   

[1] 薛冬峰, 彭超, 王晓明. 确定表面动态过程自由能的方法. CN: CN114067920A, 2022-02-18.
[2] 薛冬峰, 彭超, 王晓明, 王鑫. 硅复合负极材料及其制备方法、二次电池. CN: CN113964303A, 2022-01-21.
[3] 薛冬峰, 彭超, 王晓明. 二次电池电极锂枝晶在线监测方法及系统、二次电池. CN: CN113945627A, 2022-01-18.
[4] 薛冬峰, 彭超, 王晓明. 电极包覆材料筛选方法、电极材料、二次电池. CN: CN113937263A, 2022-01-14.

   

[1] Qi Zhang, Junlin Dong, Chuan Zhou, Dantong Zhang, Shuguang Yuan, Denis Kramer, Dongfeng Xue, Chao Peng. Machine Learning for Data-driven Design of High-Safety Lithium Metal Anode. STAR PROTOCOLS[J]. 2024, 5(1): 102834-, http://dx.doi.org/10.1016/j.xpro.2023.102834.
[2] Keming Zhu, Denis Kramer, Chao Peng. Edge and lithium concentration effects on intercalation kinetics for graphite anodes. JOURNAL OF ENERGY CHEMISTRY. 2024, 90: 337-347, http://dx.doi.org/10.1016/j.jechem.2023.11.036.
[3] Zhang, Dantong, Zhang, Qi, Peng, Chao, Long, Zhi, Zhuang, Guilin, Kramer, Denis, Komarneni, Sridhar, Zhi, Chunyi, Xue, Dongfeng. Recent advances in developing multiscale descriptor approach for the design of oxygen redox electrocatalysts. ISCIENCEnull. 2023, 26(5): http://dx.doi.org/10.1016/j.isci.2023.106624.
[4] 彭超. Co‐Free Layered Oxide Cathode Material with Stable Anionic Redox Reaction for Sodium‐Ion Batteries. Advanced Energy Materials[J]. 2023, [5] Liang, Ziwei, Peng, Chao, Shen, Jiadong, Yang, Yan, Yao, Shiyan, Xue, Dongfeng, Zhu, Min, Liu, Jun. Lithiophilic single-atom Co on carbon nanosheets synergistically modulates Li deposition enable dendrite-free lithium metal batteries. JOURNAL OF POWER SOURCES[J]. 2023, 556: http://dx.doi.org/10.1016/j.jpowsour.2022.232474.
[6] 彭超. Origin of oxygen-redox and transition metals dissolution in Ni-rich LixNi0. 8Co0. 1Mn0. 1O2 cathode. The Journal of Chemical Physics[J]. 2023, [7] 彭超. Data-driven Discovery and Intelligent Design of Artificial Hybrid Interphase Layer for Stabilizing Lithium Metal Anode. Matter[J]. 2023, [8] 彭超. Regulating Electron Distribution of P2-Type Layered Oxide Cathodes for Practical Sodium-Ion Batteries. Materials Today[J]. 2023, [9] Rong Zhang, Chuan Li, Huilin Cui, Yanbo Wang, Shaoce Zhang, Pei Li, Yue Hou, Ying Guo, Guojin Liang, Zhaodong Huang, Chao Peng, Chunyi Zhi. Electrochemical nitrate reduction in acid enables high-efficiency ammonia synthesis and high-voltage pollutes-based fuel cells. NATURE COMMUNICATIONS. 2023, 14: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10698138/.
[10] 彭超. Rationa Design of Electrolyte Solvation Structures for Modulating 2e−/4e− Transfer in Sodium–Air Batteries. Advanced Functional Materials[J]. 2022, [11] []. Alkaline Tolerant Antifreezing Additive Enabling Aqueous Zn||Ni Battery Operating at -60°C. Angewandte Chemie International Edition[J]. 2022, [12] 彭超. Boosting fast and stable symmetric sodium-ion storage by synergistic engineering and amorphous structure. Nano Energy[J]. 2022, [13] Defect-Induced Dense Amorphous/Crystalline Heterophase Enables High-Rate and Ultra-Stable Sodium Storage. Advanced Science[J]. 2022, [14] Huang, Wei, Peng, Chao, Tang, Jing, Diao, Fangyuan, Yesibolati, Murat Nulati, Sun, Hongyu, Engelbrekt, Christian, Zhang, Jingdong, Xiao, Xinxin, Molhave, Kristian S. Electronic structure modulation with ultrafine Fe3O4 nanoparticles on 2D Ni-based metal-organic framework layers for enhanced oxygen evolution reaction. JOURNAL OF ENERGY CHEMISTRY[J]. 2022, 65(2): 78-88, http://sciencechina.cn/gw.jsp?action=detail.jsp&internal_id=7173942&detailType=1.
[15] Peng Chao. Carbon stacking hysteresis during lithiation/delithiation of graphite. Journal of Materials Chemistry A. 2021, [16] Peng Chao. High-loading single-atom silver catalyst with Ag1-C2N1 structure showing superior performance for epoxidation of styrene. ACS Catalysis. 2021, [17] Tian, Shubo, Peng, Chao, Dong, Juncai, Xu, Qi, Chen, Zheng, Zhai, Dong, Wang, Yu, Gu, Lin, Hu, P, Duan, Haohong, Wang, Dingsheng, Li, Yadong. High-Loading Single-Atomic-Site Silver Catalysts with an Ag-1-C2N1 Structure Showing Superior Performance for Epoxidation of Styrene. ACS CATALYSIS[J]. 2021, 11(9): 4946-4954, http://dx.doi.org/10.1021/acscatal.1c00455.
[18] Cao, Huili, Peng, Chao, Zheng, Zhiyong, Lan, Zhenyun, Pan, Qinying, Nielsen, Ulla Gro, Norby, Poul, Xiao, Xinxin, Mossin, Susanne. Orientation effect of zinc vanadate cathode on zinc ion storage performance. ELECTROCHIMICA ACTA[J]. 2021, 388: http://dx.doi.org/10.1016/j.electacta.2021.138646.
[19] Peng, Chao, Bhandari, Arihant, Dziedzic, Jacek, Owen, John R, Skylaris, ChrisKriton, Kramer, Denis. Mechanism of Li nucleation at graphite anodes and mitigation strategies. JOURNAL OF MATERIALS CHEMISTRY A[J]. 2021, 9(31): 16798-16804, http://dx.doi.org/10.1039/d1ta03447b.
[20] Peng, Chao, Chen, Jianfu, Hu, Peijun, Wang, Haifeng. Molecular Adsorption Kinetics: Nonlinear Entropy-Enthalpy Loss Quantified by Constrained AIMD and Insights into the Adsorption-Site Determination on Metal Oxides. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2021, 125(20): 10974-10982, http://dx.doi.org/10.1021/acs.jpcc.1c02537.
[21] Li, Zhi, Chen, Yuanjun, Ji, Shufang, Tang, Yan, Chen, Wenxing, Li, Ang, Zhao, Jie, Xiong, Yu, Wu, Yuen, Gong, Yue, Yao, Tao, Liu, Wei, Zheng, Lirong, Dong, Juncai, Wang, Yu, Zhuang, Zhongbin, Xing, Wei, He, ChunTing, Peng, Chao, Cheong, WengChon, Li, Qiheng, Zhang, Maolin, Chen, Zheng, Fu, Ninghua, Gao, Xin, Zhu, Wei, Wan, Jiawei, Zhang, Jian, Gu, Lin, Wei, Shiqiang, Hu, Peijun, Luo, Jun, Li, Jun, Chen, Chen, Peng, Qing, Duan, Xiangfeng, Huang, Yu, Chen, XiaoMing, Wang, Dingsheng, Li, Yadong. Iridium single-atom catalyst on nitrogen-doped carbon for formic acid oxidation synthesized using a general host-guest strategy. NATURE CHEMISTRY[J]. 2020, 12(8): http://dx.doi.org/10.1038/s41557-020-0473-9.
[22] Ding, Yunxuan, Shen, Yujie, Peng, Chao, Huang, Meilan, Hu, P. Unraveling the Photogenerated Electron Localization on the Defect-Free CH3NH3PbI3(001) Surfaces: Understanding and Implications from a First-Principles Study. JOURNAL OF PHYSICAL CHEMISTRY LETTERS[J]. 2020, 11(19): 8041-8047, https://www.webofscience.com/wos/woscc/full-record/WOS:000577152900017.
[23] Peng, Chao, Mercer, Michael P, Skylaris, ChrisKriton, Kramer, Denis. Lithium intercalation edge effects and doping implications for graphite anodes. JOURNAL OF MATERIALS CHEMISTRY A[J]. 2020, 8(16): 7947-7955, http://dx.doi.org/10.1039/c9ta13862e.
[24] Peng Chao. A practical approach to large scale electronic structure calculations in electrolyte solutions via continuum-embedded linear-scaling DFT. The Journal of Physical Chemistry C. 2020, [25] Bhandari, Arihant, Anton, Lucian, Dziedzic, Jacek, Peng, Chao, Kramer, Denis, Skylaris, ChrisKriton. Electronic structure calculations in electrolyte solutions: Methods for neutralization of extended charged interfaces. JOURNAL OF CHEMICAL PHYSICS[J]. 2020, 153(12): http://dx.doi.org/10.1063/5.0021210.
[26] Zheng, YanZhen, Li, XiTao, Zhao, ErFei, Lv, XinDing, Meng, FanLi, Peng, Chao, Lai, XueSen, Huang, Meilan, Cao, Guozhong, Tao, Xia, Chen, JianFeng. Hexamethylenetetramine-mediated growth of grain-boundary-passivation CH3NH3PbI3 for highly reproducible and stable perovskite solar cells. JOURNAL OF POWER SOURCES[J]. 2018, 377: 103-109, http://dx.doi.org/10.1016/j.jpowsour.2017.12.011.
[27] Peng, Chao, Chen, Jianfu, Wang, Haifeng, Hu, P. First-Principles Insight into the Degradation Mechanism of CH3NH3PbI3 Perovskite: Light-Induced Defect Formation and Water Dissociation. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2018, 122(48): 27340-27349, https://www.webofscience.com/wos/woscc/full-record/WOS:000452693300025.
[28] Peng, Chao, Reid, Glenn, Wang, Haifeng, Hu, P. Perspective: Photocatalytic reduction of CO2 to solar fuels over semiconductors. JOURNAL OF CHEMICAL PHYSICS[J]. 2017, 147(3): https://www.webofscience.com/wos/woscc/full-record/WOS:000406129100001.
[29] Peng, Chao, Wang, Jinglin, Wang, Haifeng, Hu, P. Unique Trapped Dimer State of the Photogenerated Hole in Hybrid Orthorhombic CH3NH3PbI3 Perovskite: Identification, Origin, and Implications. NANO LETTERS[J]. 2017, 17(12): 7724-7730, https://www.webofscience.com/wos/woscc/full-record/WOS:000418393300076.
[30] Zhang, Jiawei, Peng, Chao, Wang, Haifeng, Hu, P. Identifying the Role of Photogenerated Holes in Photocatalytic Methanol Dissociation on Rutile TiO2(110). ACS CATALYSIS[J]. 2017, 7(4): 2374-2380, https://www.webofscience.com/wos/woscc/full-record/WOS:000398986700015.
[31] 彭超. Ni/Ce0.75Zr0.25O2界面催化 CO2甲烷化密度泛函理论研究. 中国科学：化学. 2016, [32] Peng Chao. Theoretical insights into how the first C–C bond forms in the methanol-to-olefin process catalyzed by HSAPO-34. Physical Chemistry Chemical Physics. 2016, [33] Li, Yu Hang, Peng, Chao, Yang, Shuang, Wang, Hai Feng, Yang, Hua Gui. Critical roles of co-catalysts for molecular hydrogen formation in photocatalysis. JOURNAL OF CATALYSIS[J]. 2015, 330: 120-128, https://www.webofscience.com/wos/woscc/full-record/WOS:000362603200011.

   

（ 1 ） 液固界面CO2光还原反应理论研究及光催化材料活性调控, 负责人, 地方任务, 2019-01--2021-12
（ 2 ） Multi-scale modelling of Batteries（英国）, 参与, 其他任务, 2018-01--2021-06
（ 3 ） 高比容量锂离子电池正极界面溶解机制及其结构设计与制备研究, 负责人, 地方任务, 2022-01--2024-12
（ 4 ） 基于分子自组装方法锂金属负极有机−无机复合人工界面层的功能性构筑研究, 负责人, 国家任务, 2023-01--2025-12
（ 5 ） 基于预嵌入正极和改性锌负极的高安全水系锌基储能电池, 负责人, 地方任务, 2022-11--2024-10
（ 6 ） 锂金属负极单分子层自组装设计, 负责人, 中国科学院计划, 2022-01--2024-12
（ 7 ） 动力电池正极改性基因库构建与应用, 负责人, 研究所自选, 2022-01--2023-12

（1）石墨负极界面及化学掺杂对嵌锂影响研究   中国化学会第32届学术年会   2021-04-19
（2）Pictures behind the outstanding performance of hybrid CH3NH3PbI3 perovskite   2018-12-10

现指导学生

蔡纯  硕士研究生  085600-材料与化工