Carbon-based Band Gap Engineering in the h-BN Analytical Modeling

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F46747885%3A24620%2F20%3A00007224" target="_blank" >RIV/46747885:24620/20:00007224 - isvavai.cz</a>

Result on the web

<a href="https://www.mdpi.com/1996-1944/13/5/1026" target="_blank" >https://www.mdpi.com/1996-1944/13/5/1026</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.3390/ma13051026" target="_blank" >10.3390/ma13051026</a>

Result language

angličtina

Original language name

Carbon-based Band Gap Engineering in the h-BN Analytical Modeling

Original language description

The absence of bandgap in graphene is a hindrance to its application in electronic devices. Alternately, the complete replacement of carbon atom with B and N atoms in graphene structure led to the formation of h-BN and caused the opening of its gap. Now, an exciting possibility is a partial substitution of the B and N atoms with C atoms in the graphene structure, which caused the formation of boron nitride composite with specified stoichiometry. On the other hand, BC2N nanotubes are more stable than other triple compounds due to the existence of maximum number of B-N and C-C bonds. This paper focused on the nearest neighbor’s tight-binding method to explore the dispersion relation of BC2N, which has no chemical bond from Carbon-Carbon atom. More specifically, the band dispersion of this specific structure and the effects of energy hoping in Boron-Carbon and Nitrogen-Carbon atoms on bandgap are studied. Besides, the band structure is achieved from DFT using GGA approximation method. This calculation shows that this specific structure is semi-metal, and bandgap energy is 0.167ev.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

20500 - Materials engineering

Project

<a href="/en/project/EF16_025%2F0007293" target="_blank" >EF16_025/0007293: Modular platform for autonomous chassis of specialized electric vehicles for freight and equipment transportation</a><br>

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2020

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Materials

ISSN

1996-1944

e-ISSN

—

Volume of the periodical

13

Issue of the periodical within the volume

5

Country of publishing house

CH - SWITZERLAND

Number of pages

10

Pages from-to

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UT code for WoS article

000524060200004

EID of the result in the Scopus database

2-s2.0-85080863619