个人简历

学习经历\r
1992，中国科学院上海光学精密机械研究所，博士\r
1989，厦门大学，物理学硕士\r
1986，厦门大学，物理学学士\r
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工作经历\r
1992 中国科学院上海光机所 博士\r
1993 中国科学院物理所 博士后\r
1995 北京科技大学\r
1997 Harvard 大学 访问学者\r
1999 Princeton 大学 Staff\r
2002 UC Santa Barbara 大学 Staff\r
2004 中国科学院上海硅酸盐所 研究员\r
2012 南京大学 教授\r
2014 上海大学材料基因研究院 副院长

研究领域

""1、电子-声子输运物理/Transport physics of electrons and phonons\r
通常，固体物质为长程有序晶体状态或者无序玻璃状态，熔点之上为完全无序和流动的液体状态。微观上，这三种状态的化学成分可以完全相同，但结构和性能差别巨大，其根源在于成分原子间的多元强弱化学键的分布以及由此决定的成分原子的运动形式及其对于外场响应的不同。在具有层次化学键（chemical bond hierarchy）的多元化学键多元体系中，由于化学键的复杂性，存在“半晶态”的物质状态，即材料体系表现为“部分晶态-部分无序”和“部分晶态-部分液体”的特殊状态，可以导致不同亚晶格具有不同的有序或者无序性，造成实际材料具体强烈的有序-无序共存的特征。化学键的层次性和亚晶格有序-无序破坏了材料长程有序性，使材料可能具有反常物性；理论上，常规微扰近似物性描述方法不再适用，需要发展一些特殊方面描述材料的结构和性能，如其中的电子-声子输运机理等。该类特征的材料也为新材料如新型热电材料等设计探索开辟了一条新的思路。\r
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2、新型高性能热电材料设计/Advanced thermoelectric materials design, mainly in first-principles-based approach\r
新型热电材料探索的一个重要方向是突破传统的具有长程有序晶态体系，探索具有等级化学键(Chemical Bond Hierarchy)特征的多元复杂体系，同时探索突破传统的窄带半导体热电现象的新型热电效应;，和多元化学键材料相关新材料和新效应探索等。近年来的一个重要方向是如何将量子效应引入热电性能调控和在热电材料中引入热-电-磁耦合等多场效应，开展室温热电材料探索。\r
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3、低维和异质结构的新奇物性/Functionality of low-dimensional heterostructures\r
二维范德华材料的研究不断突破人们对材料性质及物理现象的已有认知。通过“乐高积木式”的二维材料堆砌，在二维材料平台之上可以设计出具备特定功能的异质结人工材料。低维材料的基础研究及基础应用研究都正面临新的机遇。课题组不仅探索二维材料及其异质结的丰富新奇物性，而且将针对力热光电磁等性质开展面向应用的功能化设计，尤其是针对具有低维磁特征的块体化合物、或者具有本征磁性的二维材料异质结体系。\r
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4、深度学习和数据挖掘/ machine learning, data mining, and high-throughput computation in materials research\r
本项目组也在结合“材料基因组”项目，开展数据挖掘、深度学习、和高通量计算相结合的材料科学研究新方法探索。主要针对新型能源材料的开展高通量计算-筛选研究，同时利用深度学习和数据挖掘技术，构建材料结构-性能谱图；同时还在开展利用深度学习方法开展能量转换材料的结构设计和动力学性质研究，及新材料设计与性能预测。\r
本课题组还在与上海大学和天河超算等单位合作，开展软件发展和第一原理高通量平台建设和应用等方面研究。\r
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5、电池材料和催化材料等方面研究/Battery materials and catalysis materials\r
本课题组也开展与电池材料和催化材料设计等相关研究。""""

近期论文

Zhishan Luo, Chongze Hu, Lin Xie, Hongbo Nie, Congying Xiang, Xinfu Gu, Jiaqing He, Wenqing Zhang*，Zhiyang Yu*，and Jian Luo*，A highly asymmetric interfacial superstructure in WC: expanding the classic grain boundary segregation and new complexion theories†, Materials Horizons, 2020, 7, 173—180.\r
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Bing He, Anjiang Ye, Shuting Chi, Penghui Mi, Yunbing Ran, Liwen Zhang, Xinxin Zou,Bowei Pu, Qian Zhao, Zheyi Zou, Da Wang, Wenqing Zhang, Jingtai Zhao, Maxim Avdeev, & Siqi Shi*, CAVD, towards better characterization of void space for ionic transport analysis, Scientific Data, 2020 7:153.\r
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Weiyi Xia, Weiwei Gao, Gabriel Lopez-Candales, Yabei Wu, Wei Ren, Wenqing Zhang, and Peihong Zhang*, Combined subsampling and analytical integration for efficient large-scale GW calculations for 2D systems, npj Computational Materials, 2020, 6:118.\r
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Cheng-Gong Han*, Xin Qian*, Qikai Li, Biao Deng, Yongbin Zhu, Zhijia Han, Wenqing Zhang, Weichao Wang, Shien-Ping Feng, Gang Chen*, Weishu Liu*, Giant thermopower of ionic gelatin near room temperature, Science, 2020,368, 1091–1098.\r
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Bing He, Shuting Chi, Anjiang Ye, Penghui Mi, Liwen Zhang, Bowei Pu, Zheyi Zou, Yunbing Ran, Qian Zhao, Da Wang, Wenqing Zhang, Jingtai Zhao, Stefan Adams, Maxim Avdeev & Siqi Shi*, High-throughput screening platform for solid electrolytes combining hierarchical iontransport prediction algorithms, Scientific Data, 2020, 7:151.\r
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Yabei Wu, Weiyi Xia, Yubo Zhang, Wenguang Zhu, Wenqing Zhang*, and Peihong Zhang*, Remarkable Band-Gap Renormalization via Dimensionality of the Layered Material C3B, Physical Review Applied, 2020, 14, 014073.\r
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Zhijia Han, Zhigang Gui, Y. B. Zhu, Peng Qin, Bo-Ping Zhang, Wenqing Zhang , Li Huang*, and Weishu Liu*, The Electronic Transport Channel Protection and Tuning in Real Space to Boost the Thermoelectric Performance of Mg3+δSb2-yBiy near Room Temperature, Research, 2020, 1672051.\r
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Tian Zhou, Zhuhong Li, Yajuan Cheng, Yuxiang Ni, Sebastian Volz, Davide Donadio, Shiyun Xiong*, Wenqing Zhang and Xiaohong Zhang*, Thermal transport in amorphous small organic materials: a mechanistic study†, Physical Chemistry Chemical Physics, 2020, 22, 3058—3065.\r
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Xin Li, Ye Sheng, Lihua Wu, Shunbo Hu, Jiong Yang*, David J. Singh, Jihui Yang, and Wenqing Zhang*, “Defect-mediated Rashba engineering for optimizing electrical transport in thermoelectric BiTeI”, NPJ Computational Materials, 2020, 6, 107.\r
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Zichen Wei, Chenyang Wang*, Jiye Zhang, Jiong Yang, Zhili Li, Qidong Zhang, Pengfei Luo, Wenqing Zhang, Enke Liu*, and Jun Luo*, “Precise regulation of carrier concentration in thermoelectric BiSbTe alloys via magnetic doping”, ACS Appl. Mater. Interfaces, 2020, 12, 20653-20663.\r
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Bo Liu, Da Wang, Maxim Avdeev, Siqi Shi*, Jiong Yang*, and Wenqing Zhang*, “High-Throughput Computational Screening of Li-Containing Fluorides for Battery Cathode Coatings”, ACS Sustainable Chemistry & Engineering, 2020,8, 948-957.\r
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Bo Liu, Jian Liu, Jiong Yang, Da Wang, Caichao Ye, Deyu Wang, Maxim Avdeev, Siqi Shi*, Jihui Yang*, and Wenqing Zhang*, “Ab initio thermodynamic optimization of Ni-rich Ni-Co-Mn oxide cathode coatings”, Journal of Power Sources, 2020,450, 227693.\r
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Youwei Wang, Junkai Wang, Xiaolin Zhao, Wujie Qiu, Erhong Song, Wenqing Zhang*, Xiangfeng Liu* and Jianjun Liu*, Reducing the charge overpotential of Li–O2 batteries through band-alignment cathode design. Energy & Environmental Science 2020, doi: 10.1039/D0EE01551B 206.\r
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Lili Zhang, Gang Wang, Yubo Zhang, Zhipeng Cao, Yu Wang, Tianjun Cao, Cong Wang, Bin Cheng, Wenqing Zhang, Xiangang Wan, Junhao Lin*, Shi-Jun Liang*, and Feng Miao*, Tuning Electrical Conductance in Bilayer MoS2 through Defect-Mediated Interlayer Chemical Bonding, ACSNano, 2020, doi:10.1021/acsnano.0c03665.\r
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K. Xia, P. Nan, S. Tan, Y. Wang, B. Ge*, W Zhang*, S. Anand, X. Zhao, G.Snyder, T. Zhu*, Short-range order in defective half-Heusler thermoelectric crystals, Energy & Environmental Science, 2019, 12(5), 1568-1574.\r
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Bo Liu, Jiong Yang*, Hongliang Yang, Caichao Ye, Yuanqing Mao, Jiping Wang, Siqi Shi, Jihui Yang*, Wenqing Zhang*, Rationalizing the interphase stability of Li| doped-Li7La3Zr2O12via automated reaction screening and machine learning, Journal of Materials Chemistry A, 2019, 7(34), 19961-19969.\r
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Hao Ye*, Qi An, Wenqing Zhang, William A. Goddard III*, Initial Decomposition of HMX Energetic Material from Quantum Molecular Dynamics and the Molecular Structure Transition of β-HMX to δ-HMX, The Journal of Physical Chemistry C, 2019, 123(14), 9231-9236.\r
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Xin Sun, Xin Li, Jiong Yang*, Jinyang Xi, Ryky Nelson, Christina Ertural, Richard Dronskowski*, Weishu Liu, Gerald J. Snyder, David J. Singh, Wenqing Zhang*, Achieving band convergence by tuning the bonding ionicity in n‐type Mg3Sb2, Journal of computational chemistry, 2019, 40(18), 1693-1700.\r
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Jiong Yang, Yancheng Wang, Hongliang Yang, Wei Tang, Jihui Yang, Lidong Chen, Wenqing Zhang*, Thermal transport in thermoelectric materials with chemical bond hierarchy, Journal of Physics-Condensed Matter, 2019, 31(18), 183002.\r
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Fang, Xin Li, Chaoliang Hu, Qi Zhang, Jiong Yang*, Wenqing Zhang, Xinbing Zhao*, David J. Singh, Tiejun Zhu*, Complex Band Structures and Lattice Dynamics of Bi2Te3‐Based Compounds and Solid Solutions, Advanced Functional Materials, 2019, 29, 1900677.