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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...

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Detalles Bibliográficos
Autores principales: Zhang, Heng, Wang, Junjie, Guégan, Frédéric, Yu, Shuyin, Frapper, Gilles
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
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