能量转换材料设计与输运物理研究 主要从事计算材料科学研究与材料设计，深入研究电子－原子分子－纳米－介观尺度上的物质结构与性能关系和材料物理问题，并在此基础上开展高性能材料的微观设计。

Jiawei Zhang, Ruiheng Liu, Nian Cheng, Yubo Zhang, Jihui Yang, Ctirad Uher, Xun Shi*, Lidong Chen*, and Wenqing Zhang*, “High-Performance Pseudocubic Thermoelectric Materials from Non-Cubic Chalcopyrite Compounds”, Adv. Mater., 26 (2014), 3848-3853.

Wujie Qiu, Lili Xi, Ping Wei, Xuezhi Ke*, Jihui Yang*, and Wenqing Zhang*, “Part-Crystalline Part-Liquid State and Rattling-Like Thermal Damping in Materials with Chemical-Bond Hierarchy”, Proceedings of the National Academy of Sciences of the United States of America, 111 (2014), 15031-15035.

Yongcheng Liang*, Xun Yuan, Yanfeng Gao, Wenqing Zhang, Peihong Zhang, “Phonon-Assisted Crossover from a Nonmagnetic Peierls Insulator to a Magnetic Stoner Metal”, Phys. Rev. Lett., 113 (2014) 176401

Lihua Wu, Jiong Yang, Shanyu Wang, Ping Wei, Jihui Yang*, Wenqing Zhang, and Lidong Chen, “Two-dimensional thermoelectrics with Rashba spin-split bands in bulk BiTeI”, Phys. Rev. B, 90 (2014) 195210

Fuming Du, Xiaodong Ren, Jiong Yang, Jianjun Liu*, Wenqing Zhang, “Structures, Thermodynamics, and Li+ Mobility of Li10GeP2S12: A First-Principles Analysis”, J. Phys. Chem. C, 118 (2014), 10590–10595.

Xiaodong Ren, Jinzhen Zhu, Fuming Du, Jianjun Liu*, Wenqing Zhang, “B-Doped Graphene as Catalyst To Improve Charge Rate of Lithium–Air Battery”, J. Phys. Chem. C, 118 (2014), 22412–22418.

Lihua Wu, Jiong Yang, Shanyu Wang, Ping Wei, Jihui Yang*, Wenqing Zhang*, and Lidong Chen, “Thermopower enhancement in quantum wells with the Rashba effect”, Appl. Phys. Lett., 105 (2014), 202115

Youwei Wang, Yubo Zhang and Wenqing Zhang*, "First-principles study of the halide-passivation effects on the electronic structures of CdSe quantum dots", RSC Advances, 4 (2014), 19302-19309.

Yubo Zhang, Youwei Wang, Lili Xi, Ruihao Qiu, Xun Shi, Peihong Zhang*, Wenqing Zhang*, “Electronic structure of antifluorite Cu2X (X=S, Se, Te) within the modified Becke-Johnson potential plus an on-site Coulomb U”, J. Chem. Phys., 140 (2014), 074702

Ruiheng Liu, Jung Young Cho, Jiong Yang, Wenqing Zhang, Lidong Chen*, “Thermoelectric Transport Properties of RyFe3NiSb12 (R=Ba, Nd and Yb)”, J. Mater. Sci. Technol., 30 (11) (2014) 1134-1140

Yongcheng Liang*, Jiong Yang, Xun Yuan, Wujie Qiu, Zheng Zhong, Jihui Yang, Wenqing Zhang*, “Polytypism in superhard transition-metal triborides”, Scientific Report, 4 (2014)，5063