Mechanistic study of monolayer NiP₂(100) toward solar hydrogen production

• Main Authors: Hu, Jun, Zhao, Xin, Chen, Wei, Zheng, Shunli, Chen, Zhong
• Other Authors: School of Materials Science and Engineering
• Format: Article
• Language: English
• Published: 2021
• Subjects: Engineering::Materials; Phosphides; Nickel Phosphides
• Online Access: https://hdl.handle.net/10356/150731
• Institution: Nanyang Technological University

Understanding the catalytic mechanism at the molecular level is critical to the design and exploration of new materials for solar hydrogen production. Herein, the catalytic activity toward hydrogen evolution reaction (HER) is surveyed for all low-index surfaces of different nickel phosphides (Ni P,...