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Adsorption of CO on the LaCoO3 (001) surface by density functional theory calculation.
- Source :
-
Applied Surface Science . Aug2014, Vol. 309, p128-132. 5p. - Publication Year :
- 2014
-
Abstract
- Highlights: [•] The most suitable configuration is Co CO structure in the CoO-terminated LaCoO3 (001) surface. [•] The Co C bond is mainly from the hybrid between the CO and Co-d orbital. [•] The most suitable configuration is the O CO structure and the electrons transfer from the surface to the CO molecule. [•] The LaCoO3 could be used as the sensitive material to detect CO gas. [Copyright &y& Elsevier]
Details
- Language :
- English
- ISSN :
- 01694332
- Volume :
- 309
- Database :
- Academic Search Index
- Journal :
- Applied Surface Science
- Publication Type :
- Academic Journal
- Accession number :
- 96242114
- Full Text :
- https://doi.org/10.1016/j.apsusc.2014.04.202