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Difference between Metal-S and Metal-O Bond Orders: A Descriptor of Oxygen Evolution Activity for Isolated Metal Atom-Doped MoS(2) Nanosheets
Exploration of predictive descriptors for the performance of electrocatalytic oxygen evolution reaction (OER) is significant for material development in many energy conversion processes. In this work, we used high-throughput density functional theory (DFT) calculations to systematically investigate...
Autores principales: | Hai, Guangtong, Gao, Hongyi, Zhao, Guixia, Dong, Wenjun, Huang, Xiubing, Li, Yi, Wang, Ge |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Elsevier
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6806669/ https://www.ncbi.nlm.nih.gov/pubmed/31655059 http://dx.doi.org/10.1016/j.isci.2019.10.001 |
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