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Effective methane conversion to methanol on bi-functional graphene-oxide-supported platinum nanoclusters (Pt5) – a DFT study

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Abstract

Nowadays identifying a high-performance catalyst for converting methane to methanol is crucial because methanol serves as an excellent energy source and has wide chemical applications. In the present study, we used DFT, a computational chemistry method, to investigate the reaction mechanism of methanol production by conversion of methane on Pt5 nanoparticles supported on graphene oxide (GO) substrates. Computational results predicted that the Pt5/GO system exhibits excellent catalysis efficiency, compared with those of the previously examined Pt2/GO and Pt2O2/GO systems. Energetics of examined molecular species and the reaction mechanism showed that the Pt5/GO system exhibits high stability in this catalysis reaction and catalyzes the reaction efficiently. Moreover, between the two investigated surfaces GO and UGO, GO performed better and should be a promising catalyst support to convert methane into methanol.

Graphical abstract: Effective methane conversion to methanol on bi-functional graphene-oxide-supported platinum nanoclusters (Pt5) – a DFT study

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Article information


Submitted
04 Nov 2019
Accepted
02 Feb 2020
First published
03 Feb 2020

Phys. Chem. Chem. Phys., 2020, Advance Article
Article type
Paper

Effective methane conversion to methanol on bi-functional graphene-oxide-supported platinum nanoclusters (Pt5) – a DFT study

C. Chang, C. Liu and Y. Sun, Phys. Chem. Chem. Phys., 2020, Advance Article , DOI: 10.1039/C9CP06002B

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