CO2-ZrO2 interaction in CDRM: A combined experimental and theoretical study

Ali Uzun,A. Ipek Paksoy,Burcu Selen Caglayan,A. Erhan Aksoylu

Surface Science（2022）

Cited 1|Views9

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Abstract

•Bidentate and tridentate carbonates are obtained on m-ZrO2(1¯11) via CO2 adsorption.•Results of the DFT simulations show that m-ZrO2 surface enables oxygen mobility.•FTIR-DRIFTS confirms CO2-ZrO2 interaction via (bi)carbonate, formate and bridged CO.•Reversible formate formation towards CO production is found to dominate at 573 K.•XPS results reveal the existence of oxygen vacancy and defect sites.

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Key words

m-ZrO2,FTIR-DRIFTS,Density functional theory,XPS,CO2 adsorption,Reversible formate formation

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