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Efficient Band Structure Calculation of Two-Dimensional Materials from Semilocal Density Functionals
[Image: see text] The experimental and theoretical realization of two-dimensional (2D) materials is of utmost importance in semiconducting applications. Computational modeling of these systems with satisfactory accuracy and computational efficiency is only feasible with semilocal density functional...
Gorde:
| Argitaratua izan da: | J Phys Chem C Nanomater Interfaces |
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| Egile Nagusiak: | , , , , , , |
| Formatua: | Artigo |
| Hizkuntza: | Inglês |
| Argitaratua: |
American Chemical
Society
2021
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| Sarrera elektronikoa: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8165698/ https://ncbi.nlm.nih.gov/pubmed/34084266 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcc.1c02031 |
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