Jun Chai

Exceptionally Heavy Doping Boosts the Performance of Iron Silicide for Refractory Thermoelectrics

Xiaolong Du, Fangfang Xu, Jiong Yang, 2022, Advanced Energy Materials.

Ultrafast processes in photochromic material YHxOy studied by excited-state density functional theory simulation

Shengbai Zhang, Han Wang, P. Jin, 2020, Science China Materials.

Doubled Thermoelectric Figure of Merit in p-Type β-FeSi2 via Synergistically Optimizing Electrical and Thermal Transports.

Xiaolong Du, Jiong Yang, Lidong Chen, 2020, ACS applied materials & interfaces.

Thermodynamics, kinetics and electronic properties of point defects in β-FeSi2.

Xiaolong Du, Lidong Chen, P. Qiu, 2019, Physical chemistry chemical physics : PCCP.

Significance of hydrogen bonding networks in the proton-coupled electron transfer reactions of photosystem II from a quantum-mechanics perspective.

Shengbai Zhang, Hui Pan, Yi-Yang Sun, 2019, Physical chemistry chemical physics : PCCP.

Defect tolerance in chalcogenide perovskite photovoltaic material BaZrS3

H. Zeng, Shengbai Zhang, Peihong Zhang, 2021, Science China Materials.

Decomposed defect formation energy for analysis of doping process: The case of n-type and p-type doping of β-FeSi2

Chen Ming, Jun Chai, Yiyang Sun, 2023, Applied Physics Letters.

Significance of hydrogen bonding networks in the proton-coupled electron transfer reactions of photosystem II from a quantum-mechanics perspective.

Shengbai Zhang, Hui Pan, Yi-Yang Sun, 2019, Physical chemistry chemical physics : PCCP.