Type-I band alignment of BX–ZnO (X = As, P) van der Waals heterostructures as high-efficiency water splitting photocatalysts: a first-principles study

In this work, we perform first-principles calculations to examine the electronic, optical and photocatalytic properties of the BX–ZnO (X = As, P) heterostructures. The interlayer distance and binding energy of the most energetically favorable stacking configuration are 3.31 Å and −0.30 eV for the BA...

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Detalles Bibliográficos
Autores principales: Do, Thi-Nga, Idrees, M., Binh, Nguyen T. T., Phuc, Huynh V., Hieu, Nguyen N., Hoa, Le T., Amin, Bin, Van, Hieu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9058505/
https://www.ncbi.nlm.nih.gov/pubmed/35517160
http://dx.doi.org/10.1039/d0ra09701b

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