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Using first-principle methods, we have shown that formaldehyde can be selectively converted to CO2 over In2O3(110). The OH generated from the splitting of water was found to assist in the dehydrogenation of formaldehyde to give the corresponding formyl (CHO) species. Rather than direct dehydrogenation, a hydrogen atom from the CHO was then removed by a neighboring OH to produce CO. Finally, in favoring of desorption, the CO seized a lattice O atom to yield CO2. Our calculation results indicate that In2O3 plays an important role in terms of selectivity during the methanol steam reforming reaction without the participation of the PdIn alloy, confirming the experimentally observed selectivity towards CO2. (C) 2013, Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by Elsevier B.V. All rights reserved.
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CHINESE JOURNAL OF CATALYSIS
ISSN: 0253-9837
CN: 21-1601/O6
Year: 2013
Issue: 10
Volume: 34
Page: 1855-1860
1 . 5 5 2
JCR@2013
1 5 . 7 0 0
JCR@2023
ESI Discipline: CHEMISTRY;
JCR Journal Grade:2
CAS Journal Grade:3
Cited Count:
WoS CC Cited Count: 5
SCOPUS Cited Count: 6
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 2
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