2013
DOI: 10.1039/c2cy20343j
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H2dissociation over Ag/Al2O3: the first step in hydrogen assisted selective catalytic reduction of NOx

Abstract: Hydrogen assisted selective catalytic reduction of NO x over Ag/Al 2 O 3 with either hydrocarbons or ammonia as reducing agents is an emerging technology for lean NO x reduction. Herein, we present a density functional theory study of H 2 dissociation over a representative set of sites present on the Ag/ Al 2 O 3 catalyst. Whereas H 2 dissociation over supported Ag ions and oxidized Ag surfaces is found to be facile, dissociation over metallic Ag, defect free Al 2 O 3 and alumina-supported Ag is associated wit… Show more

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Cited by 21 publications
(11 citation statements)
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“…The reduction of Mn 4+ was enhanced by the presence of Ag, of which Ag 0 might facilitate the activation (dissociation) of hydrogen and spill over of hydrogen from Ag 0 to Mn 4+ and MnO x dispersion in AgMn/HZ might be better than that in Mn/HZ. 30,31 The calculated Mn 4+ /Mn 3+ atomic ratio (using the same sequential steps as mentioned above) for AgMn/HZ based on the TPR results was 2 : 1, which is also consistent with the XPS results.…”
Section: Tpr Analysissupporting
confidence: 80%
“…The reduction of Mn 4+ was enhanced by the presence of Ag, of which Ag 0 might facilitate the activation (dissociation) of hydrogen and spill over of hydrogen from Ag 0 to Mn 4+ and MnO x dispersion in AgMn/HZ might be better than that in Mn/HZ. 30,31 The calculated Mn 4+ /Mn 3+ atomic ratio (using the same sequential steps as mentioned above) for AgMn/HZ based on the TPR results was 2 : 1, which is also consistent with the XPS results.…”
Section: Tpr Analysissupporting
confidence: 80%
“…Higher reduction temperatures may facilitate the loss of CUSs (i.e. Lewis acid sites) by removing them via heterolytic cleavage of H 2 [44,45], as shown by the decrease in values of N ACID with increasing reduction temperatures (Table 1). Furthermore, previous reports have demonstrated that the key CUSs in molybdenum sulfide catalysts, which are similar in surface properties to phosphide catalysts (i.e.…”
Section: Mechanistic Evaluationmentioning
confidence: 99%
“…Ag shows the lowest reactivity toward H 2 ;1618 its dissociation features large activation barriers even at low‐coordinated surface sites 19. Nevertheless, Sárkány and Révay studied the hydrogenation of ethyne over SiO 2 ‐ and TiO 2 ‐supported Ag nanoparticles (4–8 nm) and reported full selectivity to ethene at a low degree of ethyne conversion (3–13 %) 20.…”
Section: Introductionmentioning
confidence: 99%