Show/Hide Menu
Hide/Show Apps
anonymousUser
Logout
Türkçe
Türkçe
Search
Search
Login
Login
OpenMETU
OpenMETU
About
About
Open Science Policy
Open Science Policy
Communities & Collections
Communities & Collections
Help
Help
Frequently Asked Questions
Frequently Asked Questions
Videos
Videos
Thesis submission
Thesis submission
Publication submission with DOI
Publication submission with DOI
Publication submission
Publication submission
Contact us
Contact us
Energetics and structural properties of carbon and oxygen doped hexagonal boron nitride sheets
Date
2011-10-01
Author
Kökten, Hatice
ERKOÇ, ŞAKİR
Metadata
Show full item record
This work is licensed under a
Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License
.
Item Usage Stats
6
views
0
downloads
Cite This
Energetics and structural properties of carbon and oxygen doped hexagonal boron nitride sheets have been investigated by performing density functional theory calculations. Substitutional doping model has been considered in the neutral charge state. C and O atoms replaced either B or N site in the system as impurities. A systematic study has been performed to see the effect of cell size on the calculated quantities, such as formation energy, relaxation energy, charge and bond length. It has been found that substitution of O atom on the N site in the hexagonal BN sheet is more favorable.
Subject Keywords
Atomic and Molecular Physics, and Optics
,
Electronic, Optical and Magnetic Materials
,
Condensed Matter Physics
URI
https://hdl.handle.net/11511/42384
Journal
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
DOI
https://doi.org/10.1016/j.physe.2011.08.017
Collections
Department of Physics, Article
Citation Formats
IEEE
ACM
APA
CHICAGO
MLA
BibTeX
H. Kökten and Ş. ERKOÇ, “Energetics and structural properties of carbon and oxygen doped hexagonal boron nitride sheets,”
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
, vol. 44, no. 1, pp. 215–217, 2011, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/42384.