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Atomistic Study of the Bandgap Engineering of Two-Dimensional Silicon Carbide by Hydrogenation
[Image: see text] This work studied hydrogen adsorption by a two-dimensional silicon carbide using a combined molecular dynamics and density functional theory approach. The geometrical properties of partially and fully hydrogenated structures were investigated, considering the effect of zero-point e...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10357425/ https://www.ncbi.nlm.nih.gov/pubmed/37483209 http://dx.doi.org/10.1021/acsomega.3c02914 |