Exploring the adsorption of CO toxic gas on pristine and M-doped (M = Ti, Cr, Fe, Ni and Zn) GaN nanosheets
Author:
Affiliation:
1. Computational Quantum Chemistry Laboratory
2. Department of Chemistry
3. Faculty of Science
4. University of Guilan
5. Rasht
Abstract
The capability of pristine and M-doped (M = Ti, Cr, Fe, Ni and Zn) gallium nitride nanosheets (M-GaNNS) was explored at the Grimme-corrected PBE/double numerical plus polarization (DNP) level of theory for adsorbing and sensing of the carbon monoxide (CO) molecule.
Funder
University of Guilan
Iran National Science Foundation
Publisher
Royal Society of Chemistry (RSC)
Subject
Materials Chemistry,General Chemistry,Catalysis
Link
http://pubs.rsc.org/en/content/articlepdf/2019/NJ/C9NJ03516H
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