The stability and electronic and photocatalytic properties of the ZnWO(4) (010) surface determined from first-principles and thermodynamic calculations

We present the results of the generalized-gradient approximation of Perdew, Burke and Ernzerhof (GGA-PBE) and the Heyd–Scuseria–Ernzerhof (HSE06) hybrid functional calculations of the atomic and the electronic structures of ZnWO(4) (010) surfaces. The total energies obtained from these calculations...

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Detalles Bibliográficos
Autores principales: Wu, Yonggang, Zhang, Jihua, Long, Bingwei, Zhang, Hong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9036558/
https://www.ncbi.nlm.nih.gov/pubmed/35479806
http://dx.doi.org/10.1039/d1ra03218f

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9036558/
https://www.ncbi.nlm.nih.gov/pubmed/35479806
http://dx.doi.org/10.1039/d1ra03218f

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