Computational and experimental identification of strong synergy of the Fe/ZnO catalyst in promoting acetic acid synthesis from CH4 and CO2
Release Time:2020-04-09 Hits:
Indexed by: Journal Papers
Date of Publication: 2020-03-10
Journal: Chemical communications (Cambridge, England)
Included Journals: PubMed
ISSN: 1364-548X
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.