Yafeng Xu

Theoretical calculations on structures and catalytic properties of perovskite materials
Theoretical research of catalytic reaction mechanism
Prediction and rational design of novel nanomaterials
Computational high-throughput screening and machine learning for functional nanomaterials

Regulating Magnetic Behavior of Fe in Hematene by Defects to Improve Oxygen Evolution Reaction. Yafeng Xu, Lu Wang*, Youyong Li*. J. Phys. Chem. Lett. 2022, 13, 33, 7629–7635.
Thermal Migration Towards Constructing W-W Dual-sites for Boosted Alkaline Hydrogen Evolution Reaction. Zhigang Chen#, Yafeng Xu#, Ding Ding, Ge Song, Xingxing Gan, Hao Li, Wei Wei, Jian Chen, Zhiyun Li, Zhongmiao Gong, Xiaoming Dong, Chengfeng Zhu, Nana Yang, Jingyuan Ma, Rui Gao, Dan Luo, Shan Cong, Lu Wang, Zhigang Zhao* & Yi Cui*. Nat Commun. 2022, 13(1): 1-12.
Defect Stability and Intriguing Magnetic Properties in Janus Chromium Trihalides Monolayer. Yafeng Xu, HaoZhang, Xinnan Mao, Lifeng Ding, Lu Wang*, Youyong Li*; Appl. Sur. Sci. 2021, 150995.
Construction of Single Atom Platinum Catalysts Enabled by CsPbBr3 Nanocrystals. Huicheng Hu#, Wenhao Guan#, Yafeng Xu#, Xuchun Wang, Linzhong Wu, Min Chen, Qixuan Zhong, Yong Xu, Youyong Li, Tsun-Kong Sham, Xiaohong Zhang*, Lu Wang*, Muhan Cao*, Qiao Zhang. ACS Nano 2021, 15(8), 13129-13139
L-Type Ligand Assisted Acid-Free Synthesis of CsPbBr3 Nanocrystals with Near-Unity Photoluminescence Quantum Yield and High Stability. Qixuan Zhong#, Muhan Cao#, Yafeng Xu#, Pengli Li, Yong Zhang, Huicheng Hu, Di Yang, Yong Xu, Lu Wang*, Youyong Li, Xiaohong Zhang*, Qiao Zhang*, Nano Lett. 2019, 19, 6, 4151–4157.

Ph.D., Material Science and Engineering, Soochow University, Suzhou, China, 2023
B.S., Material Science and Engineering, Henan Polytechnic University, Jiaozuo, China, 2017

2024- Present: Postdoctoral Fellow, King Abdullah University of Science and Technology, Thuwal, Saudi Arabia

PSE - Physical and Engineering Division

DFT calculations AIMD Catalytic reaction mechanism Materials properties