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Prediction of allotropes of tellurium with molecular, one- and two-dimensional covalent nets for photofunctional applications
In the present work, three new semiconducting two-dimensional (2D) Te phases containing three- and four-coordinated Te centers were proposed by using evolutionary algorithms combined with first-principles calculations. Using density functional theory calculations, we discussed the bonding and electr...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9041115/ https://www.ncbi.nlm.nih.gov/pubmed/35480238 http://dx.doi.org/10.1039/d1ra04997f |