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Embedding Group VIII Elements into a 2D Rigid pc-C(3)N(2) Monolayer to Achieve Single-Atom Catalysts with Excellent OER Activity: A DFT Theoretical Study
Under DFT calculations, a systematic investigation is carried out to explore the structures and oxygen evolution reaction (OER) catalytic activities of a series of 2D single-atom catalyst (SAC) systems, which are constructed by doping the transition metal (TM) atoms in group VIII into the cavities o...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9821954/ https://www.ncbi.nlm.nih.gov/pubmed/36615448 http://dx.doi.org/10.3390/molecules28010254 |