* Corresponding authors
a
Department of Applied Physics and Competence Centre for Catalysis, Chalmers University of Technology, Göteborg, Sweden
E-mail:
[email protected]
Abstract
Hydrogen assisted selective catalytic reduction of NOx over Ag/Al2O3 with either hydrocarbons or ammonia as reducing agents is an emerging technology for lean NOx reduction. Herein, we present a mật độ trùng lặp từ khóa functional theory study of H2 dissociation over a representative mix of sites present on the Ag/Al2O3 catalyst. Whereas H2 dissociation over supported Ag ions and oxidized Ag surfaces is found đồ sộ be facile, dissociation over metallic Ag, defect không tính tiền Al2O3 and alumina-supported Ag is associated with high barriers. The results are rationalized by analysis of the electronic structure.
Supplementary files
Article information
- DOI
- https://doi.org/10.1039/C2CY20343J
- Article type
- Paper
- Submitted
- 23 May 2012
- Accepted
- 20 Aug 2012
- First published
- 22 Aug 2012
Catal. Sci. Technol., 2013,3, 183-190
Permissions
H2 dissociation over Ag/Al2O3: the first step in hydrogen assisted selective catalytic reduction of NOx
S. Klacar and H. Grönbeck, Catal. Sci. Technol., 2013, 3, 183 DOI: 10.1039/C2CY20343J
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