Catalytically active sites on Ni5P4 for efficient hydrogen evolution reaction from atomic scale calculation

• Main Authors: Hu, Jun, Cao, Xiaofei, Zhao, Xin, Chen, Wei, Lu, Guo-ping, Dan, Yong, Chen, Zhong
• 其他作者: School of Materials Science & Engineering
• 格式: Article
• 語言: English
• 出版: 2019
• 主題: Engineering::Materials; Nickel Phosphides; Water Splitting
• 在線閱讀: https://hdl.handle.net/10356/85699; http://hdl.handle.net/10220/49816
• 機構: Nanyang Technological University

Ni5P4 has received considerable attention recently as a potentially viable substitute for Pt as the cathode material for catalytic water splitting. The current investigation focuses on theoretical understandings of the characteristics of active sites toward water splitting using first-principle calc...