Jin Xiao

A comparative first-principles study of point defect properties in the layered MX2 (M = Mo, W; X = S, Te): Substitution by the groups III, V and VII elements

Guanghui Zhou, Tao Shen, Dan Guo, 2019, Computational Materials Science.

A systematic study of the negative thermal expansion in zinc-blende and diamond-like semiconductors

Jun Luo, Shu-Shen Li, H. Deng, 2019, New Journal of Physics.

Realistic dimension-independent approach for charged-defect calculations in semiconductors

Jun-Wei Luo, Shu-Shen Li, H. Deng, 2019, Physical Review B.

Decoupling of the Electrical and Thermal Transports in Strongly Coupled Interlayer Materials.

Jun-Wei Luo, Zhongming Wei, H. Deng, 2021, The journal of physical chemistry letters.

Abnormal diffusion behaviors of Cu atoms in van der Waals layered material MoS2

Li-Ming Tang, H. Deng, Cai-Xin Zhang, 2019, Journal of Materials Chemistry C.