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Unraveling the Mechanism of Doping Borophene

Abstract We elucidate the doping mechanism of suitable elements into borophene with first‐principles density functional theory calculation. During doping with nitrogen (N), the sp2 orbitals are responsible for arranging themselves to accommodate the electron of the N atom. Doping dramatically change...

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Principais autores: Dr. Kailash Pati Shiva Sankar Hembram, Prof. Jeongwon Park, Dr. Jae‐Kap Lee
Formato: Artigo
Idioma:Inglês
Publicado: Wiley-VCH 2024-03-01
Series:ChemistryOpen
Assuntos:
borophene
doping
electronic properties
first-principles calculations
structure
Acceso en liña:https://doi.org/10.1002/open.202300121
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