A theoretical study on the surface and interfacial properties of Ni3P for the hydrogen evolution reaction

A theoretical study on the surface and interfacial properties of Ni3P for the hydrogen evolution reaction

We report a comprehensive density functional theory (DFT) study on the stability, geometric structure, electronic characteristics, and catalytic activity for the hydrogen evolution reaction (HER) on low-index Ni3P crystal surfaces, namely, the (001), (100), (110), (101) and (111) planes with differe...

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Bibliographic Details
Main Authors: Hu, Jun, Zheng, Shunli, Zhao, Xin, Yao, Xin, Chen, Zhong
Other Authors: School of Materials Science and Engineering
Format: Journal Article
Language:English
Published: 2020
Subjects:
Engineering::Materials
Ni3P
Hydrogen Evolution Reaction
Online Access:https://hdl.handle.net/10356/140760

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