2019
DOI: 10.1016/j.mcat.2019.04.015
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A first principles study of CO oxidation over gold clusters: The catalytic role of boron nitride support and water

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Cited by 9 publications
(1 citation statement)
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“…In the same work, oxygen labeled water H 2 18 O was used in the reaction alongside C 16 O and 16 O 2 . DRIFTS measurements then found that the CO 2 produced is a mix of C 16 O 2 and C 18 O 16 O, demonstrating that the OH − produced after proton transfer from water to adsorbed O 2 can also take part in the oxidation of CO. Fu et al have used DFT calculations to look at Au on a hexagonal BN support 251 and found that there is electron transfer between the BN surface and the Au 9 cluster they employed. This leads to a weakening of the Au−CO bond compared to an isolated cluster, which, they suggest, explains the experimentally observed blue-shift for CO adsorbed to Au/BN reported by Lin and co-workers.…”
Section: Co Oxidation and Related Reactionsmentioning
confidence: 99%
“…In the same work, oxygen labeled water H 2 18 O was used in the reaction alongside C 16 O and 16 O 2 . DRIFTS measurements then found that the CO 2 produced is a mix of C 16 O 2 and C 18 O 16 O, demonstrating that the OH − produced after proton transfer from water to adsorbed O 2 can also take part in the oxidation of CO. Fu et al have used DFT calculations to look at Au on a hexagonal BN support 251 and found that there is electron transfer between the BN surface and the Au 9 cluster they employed. This leads to a weakening of the Au−CO bond compared to an isolated cluster, which, they suggest, explains the experimentally observed blue-shift for CO adsorbed to Au/BN reported by Lin and co-workers.…”
Section: Co Oxidation and Related Reactionsmentioning
confidence: 99%