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Hydrogen Adsorption on the Vertical Heterostructures of Graphene and Two-Dimensional Electrides: A First-Principles Study
[Image: see text] Synergetic effects in two-dimensional heterostructures have attracted considerable attention in the field of catalysis. Herein, we present a first-principles study of hydrogen adsorption on the vertical heterostructures of graphene and electride (Ca(2)N or Y(2)C) monolayers. Densit...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9097194/ https://www.ncbi.nlm.nih.gov/pubmed/35571833 http://dx.doi.org/10.1021/acsomega.2c01324 |