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Temperature, Doping, and Chemical Potential Tuning Intrinsic Defects Concentration in Bi(2)MoO(6): GGA + U Method

[Image: see text] Using the GGA + U method, the formation energy and concentration of intrinsic defects in Bi(2)MoO(6) are explored under different chemical conditions, with/without doping, from 120 to 900 K. We find that the intrinsic defect and carrier concentration can be deduced from the small r...

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Detalles Bibliográficos
Autores principales:	Wang, Rui, Zhou, Liming, Wang, Wentao
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2023
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10268639/ https://www.ncbi.nlm.nih.gov/pubmed/37332826 http://dx.doi.org/10.1021/acsomega.3c02161

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