计算化学 

招收硕士研究生

080501-材料物理与化学

生物酶催化模拟，固体表面催化，多相催化模拟，生物体非线性光学性质

2007-09--2012-06   中国科学院福建物质结构研究所   硕博连读生/博士
2003-09--2007-06   辽宁工程技术大学   本科生/本科

博士

博士

   

[1] Xiao, Han, Lian, Yihong, Zhang, ShiDuo, Zhang, Minyi, Zhang, Jiye, 李春森. A combined theoretical and experimental investigation on the photocatalytic hydrogenation of CO2 on Cu/ZnO polar surface. Nanoscale[J]. 2023, 15(20): 9040-9048, [2] Wang, Fei, Zhang, Minyi, Chen, Wei, Javaid, Shaghraf, Yang, Heng, Wang, Sheng, Yang, Xuyong, Zhang, LaiChang, Buntine, Mark A, Li, Chunsen, Jia, Guohua. Atomically thin heavy-metal-free ZnTe nanoplatelets formed from magic-size nanoclusters. NANOSCALE ADVANCES[J]. 2020, 2(8): 3316-3322, http://dx.doi.org/10.1039/d0na00409j.
[3] Liang, Meijuan, Zhang, Minyi, Yu, Shanshan, Wu, Qiong, Ma, Kang, Chen, Yingying, Liu, Xiaoqing, Li, Chunsen, Wang, Fuan. Silver-Laden Black Phosphorus Nanosheets for an Efficient In Vivo Antimicrobial Application. SMALL[J]. 2020, 16(13): https://www.webofscience.com/wos/woscc/full-record/WOS:000517135700001.
[4] Pang, Yingping, Zhang, Minyi, Chen, Dechao, Chen, Wei, Wang, Fei, Anwar, Shaghraf Javaid, Saunders, Martin, Rowles, Matthew R, Liu, Lihong, Liu, Shaomin, Sitt, Amit, Li, Chunsen, Jia, Guohua. Why Do Colloidal Wurtzite Semiconductor Nanoplatelets Have an Atomically Uniform Thickness of Eight Monolayers?. JOURNAL OF PHYSICAL CHEMISTRY LETTERS[J]. 2019, 10(12): 3465-3471, http://dx.doi.org/10.1021/acs.jpclett.9b01195.
[5] Wang, Sheng, Yu, Jiahao, Zhang, Minyi, Chen, Dechao, Li, Chunsen, Chen, Rui, Jia, Guohua, Rogach, Andrey L, Yang, Xuyong. Stable, Strongly Emitting Cesium Lead Bromide Perovskite Nanorods with High Optical Gain Enabled by an Intermediate Monomer Reservoir Synthetic Strategy. NANO LETTERS[J]. 2019, 19(9): 6315-6322, [6] ZHANG Min-Yi, WEI Jing, SONG Jin-Shuai, WU Peng, LI Chun-Sen. QM/MM Study of the Second Harmonic Generation and Two-photon Absorption Properties of a Fluorescent Proteins-Dreiklang. 结构化学[J]. 2018, 37(9): 1393-1403, http://lib.cqvip.com/Qikan/Article/Detail?id=676502140.
[7] Lu, Qianqian, Song, Jinshuai, Zhang, Minyi, Wei, Jing, Li, Chunsen. A theoretical study on the mechanism of hydrogenation of carboxylic acids catalyzed by the Saito catalyst. DALTON TRANSACTIONS[J]. 2018, 47(7): 2460-2469, https://www.webofscience.com/wos/woscc/full-record/WOS:000424911300038.
[8] Liu FengJiao, Song JinShuai, Lu QianQian, Wei Jing, Zhang MinYi, Huang Jing, Li ChunSen. QM/MM and MD Studies of the First Proton Transfer for O-2 Activation in the Catalytic Cycle of Cytochrome P450cin. CHINESE JOURNAL OF STRUCTURAL CHEMISTRY[J]. 2018, 37(12): 1907-1915, http://lib.cqvip.com/Qikan/Article/Detail?id=6100149978.
[9] Zhang MinYi, Wei Jing, Song JinShuai, Wu Peng, Li ChunSen. QM/MM Study of the Second Harmonic Generation and Two-photon Absorption Properties of a Fluorescent Proteins-Dreiklang. CHINESE JOURNAL OF STRUCTURAL CHEMISTRY[J]. 2018, 37(9): 1393-1403, http://lib.cqvip.com/Qikan/Article/Detail?id=676502140.
[10] 刘凤娇, 宋金帅, 卢倩倩, 魏婧, 张敏熠, 黄靖, 李春森. QM/MM and MD Studies of the First Proton Transfer for O2 Activation in the Catalytic Cycle of Cytochrome P450cin. 结构化学[J]. 2018, 37(12): 1907-1915, http://lib.cqvip.com/Qikan/Article/Detail?id=6100149978.
[11] Ning TuRong, Song JinShuai, Wei Jing, Zhang MinYi, Lu QianQian, Huang Jing, Li ChunSen. Control of the Electronic Structure of Manganese Nitrido Complexes by Para Ring Substituents: a Theoretical Study. CHINESE JOURNAL OF STRUCTURAL CHEMISTRY[J]. 2018, 37(10): 1541-1549, http://lib.cqvip.com/Qikan/Article/Detail?id=676692925.
[12] Lingting Ye, Minyi Zhang, Ping Huang, Guocong Guo, Maochun Hong, Chunsen Li, John T S Irvine, Kui Xie. Enhancing CO2 electrolysis through synergistic control of non-stoichiometry and doping to tune cathode surface structures. NATURE COMMUNICATIONS[J]. 2017, 8(1): https://doaj.org/article/56af6ca2955f4c009d6a0ec46f8f3299.
[13] Liu, BinWen, Zhang, MinYi, Jiang, XiaoMing, Li, ShuFang, Zeng, HuiYi, Wang, GuoQiang, Fan, YuHang, Su, YongFei, Li, Chunsen, Guo, GuoCong, Huang, JinShun. Large Second-Harmonic Generation Responses Achieved by the Dimeric Ge2Se4(mu-Se-2)(4-) Functional Motif in Polar Polyselenides A(4)Ge(4)Se(12) (A = Rb, Cs). CHEMISTRY OF MATERIALS[J]. 2017, 29(21): 9200-9207, https://www.webofscience.com/wos/woscc/full-record/WOS:000415911600032.
[14] Ye, Lingting, Zhang, Minyi, Huang, Ping, Guo, Guocong, Hong, Maochun, Li, Chunsen, Irvine, John T S, Xie, Kui. Enhancing CO2 electrolysis through synergistic control of non-stoichiometry and doping to tune cathode surface structures. NATURE COMMUNICATIONS[J]. 2017, 8(1): https://doaj.org/article/56af6ca2955f4c009d6a0ec46f8f3299.
[15] Zhang, Minyi, Song, Jinshuai, Lu, Qianqian, Wei, Jing, Wu, Peng, Li, Chunsen. Beryllium and boron decoration form planar tetracoordinate carbon strips at the edge of BCN nanoribbons result in energy gap opposite variation and third-order nonlinear optical response improvement. CHEMICAL PHYSICS LETTERS[J]. 2017, 685: 432-437, http://dx.doi.org/10.1016/j.cplett.2017.07.072.
[16] Guo Guocong. Large Second-Harmonic Generation Responses Achieved by the Dimeric [Ge2Se4(μ-Se2)]4− Functional Motif in Polar Polyselenides A4Ge4Se12 (A = Rb, Cs). Chem. Mater. 2017, [17] Ye, Lingting, Pan, Changchang, Zhang, Minyi, Li, Chunsen, Chen, Fanglin, Gan, Lizhen, Xie, Kui. Highly Efficient CO2 Electrolysis on Cathodes with Exsolved Alkaline Earth Oxide Nanostructures. ACS APPLIED MATERIALS & INTERFACES[J]. 2017, 9(30): 25350-25357, https://www.webofscience.com/wos/woscc/full-record/WOS:000407089300032.
[18] Zhang, Minyi, Li, Guangshe, Li, Liping. Graphene nanoribbons generate a strong third-order nonlinear optical response upon intercalating hexagonal boron nitride. JOURNAL OF MATERIALS CHEMISTRY C[J]. 2014, 2(8): 1482-1488, https://www.webofscience.com/wos/woscc/full-record/WOS:000331508400020.
[19] Zhang, MinYi, Xu, Can, Lin, ChenSheng, Guan, Xiangfeng, Cheng, WenDan. Theoretical study of the proton transfer wires influence on the one- and two-photon absorption properties of green fluorescent protein chromophore. ORGANIC & BIOMOLECULAR CHEMISTRY[J]. 2013, 11(8): 1414-1422, https://www.webofscience.com/wos/woscc/full-record/WOS:000314368200018.
[20] Wang, JinYun, Lin, ChenSheng, Zhang, MinYi, Chai, GuoLiang, Cheng, WenDan. Theoretical study on the one-, two-, and three-photon absorption properties of exohedral functionalized derivative of Sc3N@C80. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY[J]. 2012, 112(4): 1198-1208, https://www.webofscience.com/wos/woscc/full-record/WOS:000299079200023.
[21] Wang, JinYun, Lin, ChenSheng, Zhang, MinYi, Chai, GuoLiang, Cheng, WenDan. Effect of cage size on the third-order optical properties of endohedral metallofullerenes Sc3N@C2n (2n=68, 70, 78, and 80): A theoretical study. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY[J]. 2012, 112(3): 759-769, https://www.webofscience.com/wos/woscc/full-record/WOS:000298596800013.
[22] Zhang, MinYi, Wang, JinYun, Lin, Chen Sheng, Cheng, WenDan. First-Principles Study of One- and Two-Photon Absorption of the H-Bonding Complexes from Monomeric Red Fluorescent Proteins with Large Stokes Shifts. JOURNAL OF PHYSICAL CHEMISTRY B[J]. 2011, 115(36): 10750-10757, http://ir.fjirsm.ac.cn/handle/335002/1702.
[23] Chai, Guoliang, Lin, Chensheng, Wang, Jinyun, Zhang, Minyi, Wei, Jing, Cheng, Wendan. Density Functional Theory Simulations of Structures and Properties for Ag-Doped ZnO Nanotubes. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2011, 115(7): 2907-2913, https://www.webofscience.com/wos/woscc/full-record/WOS:000287338100001.
[24] Wang, JinYun, Lin, ChenSheng, Zhang, MinYi, Chai, GuoLiang, Zhang, Hao, He, ZhangZhen, Cheng, WenDan. ELECTRONIC STRUCTURES, EXCITED SPECTRA, AND NONLINEAR OPTICAL PROPERTIES OF N-METHYL-FULLEROPYRROLIDINE-OLIGOANILINE DYADS NMPC60-AN(n)(n = 1-5): QUANTUM CHEMISTRY STUDY. JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY[J]. 2010, 9(5): 903-917, http://ir.fjirsm.ac.cn/handle/335002/1830.
[25] Chai, Guoliang, Lin, Chensheng, Zhang, Minyi, Wang, Jinyun, Cheng, Wendan. First-principles study of CN carbon nitride nanotubes. NANOTECHNOLOGY[J]. 2010, 21(19): http://ir.fjirsm.ac.cn/handle/335002/1946.

   

（ 1 ） 可逆光转换荧光蛋白（Dreiklang）非线性光学转换性质及其结构基础 的理论研究, 主持, 国家级, 2018-01--2020-12