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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Main Authors: | Hu, Jun, Zheng, Shunli, Zhao, Xin, Yao, Xin, Chen, Zhong |
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Other Authors: | School of Materials Science and Engineering |
Format: | Article |
Language: | English |
Published: |
2020
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Subjects: | |
Online Access: | https://hdl.handle.net/10356/140760 |
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Institution: | Nanyang Technological University |
Language: | English |
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