Associate Professor
Supervisor of Master's Candidates
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Indexed by:Journal Article
Date of Publication:2017-11-01
Journal:CHEMICAL PHYSICS LETTERS
Included Journals:SCIE
Volume:687
Page Number:138-142
ISSN:0009-2614
Abstract:DFT is employed to investigate the adsorption of CO2 on the orthorhombic LaMnO3 (010) surface. The results show that carbonate-like structure is the most stabilized mode. The electronic property of LaMnO3 (010) can be modulated by the transferred electrons from CO2 molecule. The results indicate the LaMnO3 is a promising sensing material to detect CO2 gas. (C) 2017 Elsevier B.V. All rights reserved.
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