Computational and experimental identification of strong synergy of the Fe/ZnO catalyst in promoting acetic acid synthesis from CH4 and CO2

Xiaowa Nie, Xianxuan Ren, Chunyan Tu, Chunshan Song, Xinwen Guo, Jingguang G. Chen

Research output: Contribution to journalArticlepeer-review

Abstract

DFT calculations have identified reaction pathways for acetic acid synthesis from CO2 and CH4 on ZnO, Cu/ZnO and Fe/ZnO surfaces. Fe/ZnO exhibits strong synergy in facilitating CH4 activation, dissociation and C-C coupling. Thus, the surface acetate formation is significantly enhanced. The DFT predictions have been confirmed by in situ DRIFTS experiments.

Original languageEnglish (US)
Pages (from-to)3983-3986
Number of pages4
JournalChemical Communications
Volume56
Issue number28
DOIs
StatePublished - Apr 11 2020

All Science Journal Classification (ASJC) codes

  • Catalysis
  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Chemistry(all)
  • Surfaces, Coatings and Films
  • Metals and Alloys
  • Materials Chemistry

Fingerprint Dive into the research topics of 'Computational and experimental identification of strong synergy of the Fe/ZnO catalyst in promoting acetic acid synthesis from CH<sub>4</sub> and CO<sub>2</sub>'. Together they form a unique fingerprint.

Cite this