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Issue 1, 2013
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H2 dissociation over Ag/Al2O3: the first step in hydrogen assisted selective catalytic reduction of NOx

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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 density functional theory study of H2 dissociation over a representative set of sites present on the Ag/Al2O3 catalyst. Whereas H2 dissociation over supported Ag ions and oxidized Ag surfaces is found to be facile, dissociation over metallic Ag, defect free Al2O3 and alumina-supported Ag is associated with high barriers. The results are rationalized by analysis of the electronic structure.

Graphical abstract: H2 dissociation over Ag/Al2O3: the first step in hydrogen assisted selective catalytic reduction of NOx

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Publication details

The article was received on 23 May 2012, accepted on 20 Aug 2012 and first published on 22 Aug 2012


Article type: Paper
DOI: 10.1039/C2CY20343J
Catal. Sci. Technol., 2013,3, 183-190

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    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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