Papers of 2020

159. Theoretical study of active Ca element on grain refining of carboninoculated Mg-Al alloy, Shu-Qing Yang, Cheng-Bo Li, Jun Dua*, Yu-Jun Zhao*, Materials and Design 192 (2020) 108664 Abstract PDF

158. Quantum Dynamics Simulation of Doublet Excitation and Magnetic Field Effect in Neutral Radical Materials, Jiarui Zeng, Shao-Bin Qiu, Yu-Jun Zhao, Xiao-Bao Yang, and Yao Yao*, J. Phys. Chem. Lett. 2020, 11, 1194−1198 Abstract PDF

157. Energy landscape of Au13: a global view of structure transformation, Xiao-Tian Li#, Shao-Gang Xu#, Xiao-Bao Yang and Yu-Jun Zhao*, Phys. Chem. Chem. Phys. 2020, 22, 4402 Abstract PDF

156. Doping induced charge density wave in monolayer TiS2 and phonon-mediated superconductivity, Ji-Hai Liao, Yin-Chang Zhao, Yu-Jun Zhao, Xiao-Bao Yang*, and Yue Chen*, J. Appl. Phys. 127, 044301 (2020) Abstract PDF

155. Theoretical study of stability and optical absorption properties of ferroelectric materials ZnXO3 (X¼Ge, Sn and Pb), Xing-Yuan Chen, Yu-Hua Yang, Guo-Xia Lai, Jia Chen, Wei-Ling Zhu, Tian-Shu Lai,Guo-Ping Luo, Yu-Jun Zhao, Xiang-Fu Xu, Physica B: Physics of Condensed Matter 580 (2020) 411748 Abstract PDF

154. Realizing graphene-like Dirac cones in triangular boron sheets by chemical functionalization, Shao-Gang Xu, Zhong-Jia Chen, Yu-Jun Zhao, Xiuwen Zhang*, Hu Xu* and Xiao-Bao Yang*, J. Mater. Chem. C 2020,8, 2798 Abstract PDF

153. Synthesis and Catalytic Properties of Porous Metal Silica Materials Templated and Functionalized by Extended Coordination Cages, Jiahui Ye, Jiajun Tang, Yu-Jun Zhao, and Chuan-De Wu*, Inorg. Chem. 2020, 59, 767−776 Abstract PDF

152. Theoretical study of strain induced magnetic transition of single-layer CrTe3, Zhi-Wei Lu, Shao-Bin Qiu, Wen-Qiang Xie,1 Xiao-Bao Yang, and Yu-Jun Zhao*, J. Appl. Phys. 127, 033903 (2020). Abstract PDF

(8 Listed in all)