CORE
🇺🇦
make metadata, not war
Services
Services overview
Explore all CORE services
Access to raw data
API
Dataset
FastSync
Content discovery
Recommender
Discovery
OAI identifiers
OAI Resolver
Managing content
Dashboard
Bespoke contracts
Consultancy services
Support us
Support us
Membership
Sponsorship
Community governance
Advisory Board
Board of supporters
Research network
About
About us
Our mission
Team
Blog
FAQs
Contact us
research
BN Nanotube Serving as a Gas Chemical Sensor for N₂O by Parallel Electric Field
Authors
M.T. Baei
A.S. Ghasemi
+3 more
N. Gholami
A. Soltani
E. Tazikeh Lemeski
Publication date
1 January 2016
Publisher
Springer New York LLC
Abstract
Density functional theory calculations were performed to understand the electronic properties of C₂₄, B₁₂N₁₂, B₁₂P₁₂, and (6, 0) BNNT interacted with N₂O molecule in the presence and absence of an external electric field using the B3LYP method and 6-31G** basis set. The adsorption of N₂O from O-side on the surface of (6, 0) BNNT has high sensitivity in comparison with B₁₂N₁₂ nano-cage. The adsorption energy of N₂O (O-side) on the sidewalls of B₁₂N₁₂ and BNNT in the presence of an electric field are −21.01 and −15.48 kJ mol⁻¹, respectively. Our results suggest that in the presence of an electric field, the B₁₂N₁₂ nano-cage is the more energetically notable upon the N₂O adsorption than (6, 0) BNNT, C₂₄, and B₁₂P₁₂. Whereas, our results indicate that the electronic property of BNNT is more sensitive to N₂O molecule at the presence of an electric field than B₁₂N₁₂ nano-cage. It is anticipated that BNNT could be a favorable gas sensor for the detection of N₂O molecule. © 2016, Springer Science+Business Media New York
Similar works
Full text
Open in the Core reader
Download PDF
Available Versions
Golestan University of Medical Sciences Repository
See this paper in CORE
Go to the repository landing page
Download from data provider
oai:eprints.goums.ac.ir:4834
Last time updated on 11/11/2016