High-throughput Identification and Characterization of Two-dimensional Materials using Density functional theory
Abstract We introduce a simple criterion to identify two-dimensional (2D) materials based on the comparison between experimental lattice constants and lattice constants mainly obtained from Materials-Project (MP) density functional theory (DFT) calculation repository. Specifically, if the relative d...
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Autores principales: | Kamal Choudhary, Irina Kalish, Ryan Beams, Francesca Tavazza |
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Formato: | article |
Lenguaje: | EN |
Publicado: |
Nature Portfolio
2017
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Materias: | |
Acceso en línea: | https://doaj.org/article/cf7ceb3464a94a8cad0d53c3123d99c3 |
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