Energetic Stabilities, Structural and Electronic Properties of Monolayer Graphene Doped with Boron and Nitrogen Atoms

Energetic Stabilities, Structural and Electronic Properties of Monolayer Graphene Doped with Boron and Nitrogen Atoms

The structural, energetic, and electronic properties of single-layer graphene doped with boron and nitrogen atoms with varying doping concentrations and configurations have been investigated here via first-principles density functional theory calculations. It was found that the band gap increases wi...

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Bibliographic Details
Main Authors: Seba Sara Varghese, Sundaram Swaminathan, Krishna Kumar Singh, Vikas Mittal
Format: Article
Language:English
Published: MDPI AG 2016-12-01
Series:Electronics
Subjects:
structural
energetic
electronic
density functional theory
band gap
stability
doped graphene
cohesive energies
Online Access:http://www.mdpi.com/2079-9292/5/4/91

Internet

http://www.mdpi.com/2079-9292/5/4/91

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