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 + O2 → 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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Acknowledgments
The Project was supported by the Foundation of State Key Laboratory of Coal Combustion of Huazhong University of Science and Technology (FSKLCC1110) and the Natural Science Foundation of Fujian Province, China (2012J01041).
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Jia, TT., Lu, CH., Zhang, YF. et al. A comparative study of CO catalytic oxidation on Pd-anchored graphene oxide and Pd-embedded vacancy graphene. J Nanopart Res 16, 2206 (2014). https://doi.org/10.1007/s11051-013-2206-0
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DOI: https://doi.org/10.1007/s11051-013-2206-0