Polymorphism of boron phosphide: theoretical investigation and experimental assessment
نویسندگان
چکیده
Stable crystal structures of wurtzite and recently discovered rhombohedral polymorphs boron phosphide were obtained based on chemistry rationale unconstrained geometry optimization calculations within density functional theory.
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ژورنال
عنوان ژورنال: Journal of Materials Chemistry C
سال: 2022
ISSN: ['2050-7526', '2050-7534']
DOI: https://doi.org/10.1039/d2tc00363e