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Issue 28, 2020
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Computational and experimental identification of strong synergy of the Fe/ZnO catalyst in promoting acetic acid synthesis from CH4 and CO2

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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.

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

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Article information


Submitted
30 Dec 2019
Accepted
03 Mar 2020
First published
03 Mar 2020

Chem. Commun., 2020,56, 3983-3986
Article type
Communication

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

X. Nie, X. Ren, C. Tu, C. Song, X. Guo and J. G. Chen, Chem. Commun., 2020, 56, 3983
DOI: 10.1039/C9CC10055E

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