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Oxygen Evolution and Reduction Reaction Activity Investigations on Fe, Co or Ni embedded Tetragonal Graphene by A Thermodynamical Full‐Landscape Searching Scheme
Single transition metal (TM) atoms such as Fe, Co and Ni occupying a carbon divacancy in tetragonal graphene (TG) and bonded with four nitrogen atoms (TM@N(4)TG) as electrocatalysts are investigated by means of first‐principles calculations. To consider the effect of solvent species on the local con...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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John Wiley and Sons Inc.
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8248917/ https://www.ncbi.nlm.nih.gov/pubmed/33594818 http://dx.doi.org/10.1002/open.202000326 |