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• W2021334429 abstract "In the present work, density functional theory calculations were employed to study the surface properties of several low-index stoichiometric monoclinic clinobisvanite BiVO4 surfaces. Their surface properties were systemically calculated and described in details, and the similarities and differences between these surfaces were compared and analyzed. Finally, on the basis of calculated surface energies, the equilibrium crystal shape of monoclinic clinobisvanite BiVO4 was determined, and its average surface energy was estimated. The calculated results indicated that the dangling bond density of the bismuth atom determines not only the surface energy, but also the surface relaxation." @default.
• W2021334429 created "2016-06-24" @default.
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• W2021334429 date "2011-01-01" @default.
• W2021334429 modified "2023-10-17" @default.
• W2021334429 title "Structure and energetics of low-index stoichiometric monoclinic clinobisvanite BiVO4 surfaces" @default.
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• W2021334429 doi "https://doi.org/10.1039/c1ra00301a" @default.
• W2021334429 hasPublicationYear "2011" @default.
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