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Abstract:
The catalytic oxidation of CO on Pd-anchored graphene oxide (Pd-GO) and Pd-embedded vacancy graphene (Pd-VG) is investigated by density functional theory calculations. The results validate both Pd-GO and Pd-VG show good catalytic performance for CO oxidation. Meanwhile, the more positive charge for Pd adatom and the lower reaction energy barrier make Pd-VG system slightly superior than Pd-GO system in catalytic performance. The reaction proceeds via Langmuir-Hinshelwood mechanism with a two-step route (CO + O-2 -> OOCO -> CO2 + O), followed by the Eley-Rideal mechanism (CO + O -> CO2). However, the synthesis of Pd-VG is more difficult in experiments compared with the readily available Pd-GO. Hence, graphene oxide may serve as the alternative substrate to deposit Pd nanoparticles.
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JOURNAL OF NANOPARTICLE RESEARCH
ISSN: 1388-0764
Year: 2014
Issue: 2
Volume: 16
2 . 1 8 4
JCR@2014
2 . 1 0 0
JCR@2023
ESI Discipline: MATERIALS SCIENCE;
ESI HC Threshold:355
JCR Journal Grade:2
CAS Journal Grade:2
Cited Count:
WoS CC Cited Count: 61
SCOPUS Cited Count: 43
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 3
Affiliated Colleges: