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Hexatetra-Carbon: A Novel Two-Dimensional Semiconductor Allotrope of Carbon

Employing first-principles calculations based on density functional theory (DFT), we designed a novel two-dimensional (2D) elemental monolayer allotrope of carbon called hexatetra-carbon. In the hexatetra-carbon structure, each carbon atom bonds with its four neighboring atoms in a 2D double layer c...

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Detalles Bibliográficos
Autores principales: Naseri, Mosayeb, Jalilian, Jaafar, Salahub, Dennis R., Lourenço, Maicon Pierre, Rezaei, Ghasem
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8939851/
https://www.ncbi.nlm.nih.gov/pubmed/35910342
http://dx.doi.org/10.3390/computation10020019