A theoretical insight into CO2 sensing performance on the orthorhombic LaMnO3 (010) surface
Release Time:2019-03-11 Hits:
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.