Exploring the charge localization and band gap opening of borophene: a first-principles study
نویسندگان
چکیده
منابع مشابه
Mechanical responses of borophene sheets: a first-principles study.
Recent experimental advances for the fabrication of various borophene sheets introduced new structures with a wide range of applications. Borophene is the boron atom analogue of graphene. Borophene exhibits various structural polymorphs all of which are metallic. In this work, we employed first-principles density functional theory calculations to investigate the mechanical properties of five di...
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Very recently, borophene (atomic-thin two-dimensional boron sheet) has been successfully synthesized on the Ag(111) surface by deposition. Two kinds of structures were found. However, the identification of the monolayer boron sheets grown on the metal substrate, as well as the stability of different 2D boron sheets, is controversial. By performing the first-principles calculations, present stud...
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ژورنال
عنوان ژورنال: Nanoscale
سال: 2018
ISSN: 2040-3364,2040-3372
DOI: 10.1039/c7nr06537j