A combined experimental and DFT study of H2O effect on In2O3/ZrO2 catalyst for CO2 hydrogenation to methanol

[Display omitted] •Adding 0.1 mol% H2O in the feed increases CH3OH formation rate by 20% over In2O3/ZrO2.•H2O-induced oxygen vacancies improve CO2 adsorption capacity.•DFT reveals the correlation of InOOH and CH3OH formation with H2O addition.•Excess H2O leads to aggregation of catalyst and negative...

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Veröffentlicht in:	Journal of catalysis 2020-03, Vol.383 (C), p.283-296
Hauptverfasser:	Jiang, Xiao, Nie, Xiaowa, Gong, Yutao, Moran, Colton M., Wang, Jianyang, Zhu, Jie, Chang, Huibin, Guo, Xinwen, Walton, Krista S., Song, Chunshan
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry CO2 hydrogenation Density functional theory (DFT) Engineering In2O3/ZrO2 catalyst Methanol Oxygen vacancies Reaction mechanisms Water effect
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