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High-throughput Identification and Characterization of Two-dimensional Materials using Density functional theory
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 difference...
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| Udgivet i: | Sci Rep |
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| Main Authors: | , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Nature Publishing Group UK
2017
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5507937/ https://ncbi.nlm.nih.gov/pubmed/28701780 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-017-05402-0 |
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