H2 Oxidation Mediated by Au1-Doped Vanadium Oxide Cluster Cation AuV2O5+: A Comparative Study with AuCe2O4+
| Autor: | Hua-Yong Zhang, Hai-Fang Li, Sheng-Gui He, Yan Zhang, Zi-Yu Li, Xunlei Ding, Yan-Xia Zhao |
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| Rok vydání: | 2017 |
| Předmět: |
Chemistry
Bond strength Doping Inorganic chemistry Oxide 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Evaporation (deposition) Vanadium oxide 0104 chemical sciences Crystallography chemistry.chemical_compound Atom Cluster (physics) Density functional theory Physical and Theoretical Chemistry 0210 nano-technology |
| Zdroj: | The Journal of Physical Chemistry A. 121:4069-4075 |
| ISSN: | 1520-5215 1089-5639 |
| DOI: | 10.1021/acs.jpca.7b02435 |
| Popis: | To clarify the relationship between the type of the oxide support and the activity of the gold-doped oxide clusters toward H2 oxidation, a suitable closed-shell system AuV2O5+ is chosen to have a comparative study with AuCe2O4+, the first closed-shell cluster that is reactive toward H2 oxidation. The reaction of AuV2O5+ with H2 was characterized by mass spectrometry and density functional theory calculations. The AuV2O5+ cluster is reactive toward H2 leading to the major product of V2O5H2+ (+ Au), whereas the product of AuV2O4+ (+ H2O) is completely absent in the experiment. This is in sharp contrast with the similar reaction system of AuCe2O4+ with H2, in which the formation of H2O was experimentally evidenced. Theoretical calculations revealed that the distinct reaction behaviors between AuV2O5+ and AuCe2O4+ can be attributed to the gold–metal bond strength, which plays an important role in anchoring the gold atom. The weaker Au–V bond promotes the evaporation of Au, which has a negative effect on the t... |
| Databáze: | OpenAIRE |
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