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Journal of Nanoparticle Research

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01.02.2014 | Research Paper

A comparative study of CO catalytic oxidation on Pd-anchored graphene oxide and Pd-embedded vacancy graphene

verfasst von: Tian-Tian Jia, Chun-Hai Lu, Yong-Fan Zhang, Wen-kai Chen

Erschienen in: Journal of Nanoparticle Research | Ausgabe 2/2014

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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 + 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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Titel: A comparative study of CO catalytic oxidation on Pd-anchored graphene oxide and Pd-embedded vacancy graphene
verfasst von: Tian-Tian Jia
Chun-Hai Lu
Yong-Fan Zhang
Wen-kai Chen
Publikationsdatum: 01.02.2014
Verlag: Springer Netherlands
Erschienen in: Journal of Nanoparticle Research / Ausgabe 2/2014
Print ISSN: 1388-0764
Elektronische ISSN: 1572-896X
DOI: https://doi.org/10.1007/s11051-013-2206-0

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