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Theoretical Studies on the Electronic and Optical Properties of Honeycomb BC(3) monolayer: A Promising Candidate for Metal-free Photocatalysts
[Image: see text] By employing first-principles computations and particle-swarm optimization calculations, we theoretically confirmed the honeycomb geometry of experimentally realized BC(3) sheet, which is constructed by the hexagonal carbon-ring fragments surrounded by six boron atoms and has prono...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6645329/ https://www.ncbi.nlm.nih.gov/pubmed/31459177 http://dx.doi.org/10.1021/acsomega.8b01998 |