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
• Other Authors: School of Materials Science & Engineering
• Format: Article
• Language: English
• Published: 2019
• Subjects: Engineering::Materials; Nickel Phosphides; Water Splitting
• Online Access: https://hdl.handle.net/10356/85699; http://hdl.handle.net/10220/49816
• Institution: 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...