Effective methane conversion to methanol on bi-functional graphene-oxide-supported platinum nanoclusters (Pt5) – a DFT study
| Autor: | Chi You Liu, Ying Chieh Sun, Chun Chih Chang |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
Reaction mechanism
Materials science Graphene Catalyst support Oxide General Physics and Astronomy 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Methane 0104 chemical sciences law.invention Catalysis chemistry.chemical_compound chemistry Chemical engineering law Methanol Physical and Theoretical Chemistry 0210 nano-technology Energy source |
| Zdroj: | Physical Chemistry Chemical Physics. 22:4967-4973 |
| ISSN: | 1463-9084 1463-9076 |
| DOI: | 10.1039/c9cp06002b |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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