Unraveling the Mechanism of Doping Borophene

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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Bibliographic Details
Main Authors: Dr. Kailash Pati Shiva Sankar Hembram, Prof. Jeongwon Park, Dr. Jae‐Kap Lee
Format: Article
Language:English
Published: Wiley-VCH 2024-03-01
Series:ChemistryOpen
Subjects:
borophene
doping
electronic properties
first-principles calculations
structure
Online Access:https://doi.org/10.1002/open.202300121

Internet

https://doi.org/10.1002/open.202300121

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