First-Principle Study of H2 Adsorption on LaFeO3(110) Surface
Joint Authors
Chen, Yu-Hong
Zhang, Bing-Wen
Yang, Liang
Zhang, Mei-Ling
Zhang, Cai-Rong
Kang, Long
Luo, Yong-Chun
Source
Issue
Vol. 2014, Issue 2014 (31 Dec. 2014), pp.1-8, 8 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2014-07-21
Country of Publication
Egypt
No. of Pages
8
Main Subjects
Abstract EN
The adsorption of H2 molecule on LaFeO3(110) surface was studied by first-principle calculations.
Based on the adsorption sites, adsorption energies, and electronic structures, it can be found that one H atom can be adsorbed on O atom and form –OH with the O atom, which is the most stable structure.
One H atom can be adsorbed on one Fe atom, which makes Fe3+ turn to Fe2+.
Two H atoms can form H2O molecule with O atom, which makes it possible to form oxygen vacancy on the surface.
American Psychological Association (APA)
Chen, Yu-Hong& Zhang, Bing-Wen& Yang, Liang& Zhang, Mei-Ling& Zhang, Cai-Rong& Kang, Long…[et al.]. 2014. First-Principle Study of H2 Adsorption on LaFeO3(110) Surface. Journal of Nanomaterials،Vol. 2014, no. 2014, pp.1-8.
https://search.emarefa.net/detail/BIM-1041872
Modern Language Association (MLA)
Chen, Yu-Hong…[et al.]. First-Principle Study of H2 Adsorption on LaFeO3(110) Surface. Journal of Nanomaterials No. 2014 (2014), pp.1-8.
https://search.emarefa.net/detail/BIM-1041872
American Medical Association (AMA)
Chen, Yu-Hong& Zhang, Bing-Wen& Yang, Liang& Zhang, Mei-Ling& Zhang, Cai-Rong& Kang, Long…[et al.]. First-Principle Study of H2 Adsorption on LaFeO3(110) Surface. Journal of Nanomaterials. 2014. Vol. 2014, no. 2014, pp.1-8.
https://search.emarefa.net/detail/BIM-1041872
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1041872
