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

Chun Chih Chang*, Chi You Liu, Ying Chieh Sun

*此作品的通信作者

研究成果: 雜誌貢獻期刊論文同行評審

9 引文 斯高帕斯(Scopus)

摘要

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.

原文英語
頁(從 - 到)4967-4973
頁數7
期刊Physical Chemistry Chemical Physics
22
發行號9
DOIs
出版狀態已發佈 - 2020 3月 7

ASJC Scopus subject areas

  • 物理與天文學 (全部)
  • 物理與理論化學

指紋

深入研究「Effective methane conversion to methanol on bi-functional graphene-oxide-supported platinum nanoclusters (Pt5)-a DFT study」主題。共同形成了獨特的指紋。

引用此