Computational investigation of gas detection and selectivity on TiS3 nanoflakes supported by experimental evidence
Author:
Affiliation:
1. Institute for Nanoscience and Nanotechnology, Sharif University of Technology
2. Tehran 11365-9161
3. Iran
4. Department of Physics, Sharif University of Technology
Abstract
Detection of gas molecules by the (001) surface of TiS3 is predicted via adsorption profiles, a useful analysis tool compiled based on ab initio calculations.
Funder
Iran's National Elites Foundation
Iran National Science Foundation
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP05026K
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