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Tuning CO2 hydrogenation selectivity via metal-oxide interfacial sites

Open access
Yan, Binhang, Zhao, Baohuai, Kattel, Shyam, Wu, Qiyuan, Yao, Siyu, Su, Dong, Chen, Jingguang G.·2019·Journal of Catalysis

Abstract

Abstract CO2 hydrogenation over ZrO2-supported NiFe catalysts is investigated to illustrate the role of Fe in controlling the activity and selectivity, and to reveal the structure-function relationship between metal-oxide interfaces and catalytic selectivities. The Ni-ZrO2 interfaces and Ni-FeOx interfaces are identified as the most likely active sites for the methanation reaction and the reverse water-gas shift reaction, respectively, using combined in-situ and ex-situ characterization techniques. The reaction mechanisms of CO2 hydrogenation to CH4 on the Ni-ZrO2 interfacial sites and to CO on the Ni-FeOx interfacial sites are further revealed by combined in-situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and density functional theory (DFT) calculations. Both experimental and theoretical results demonstrate that the binding energy of absorbed CO (*CO) is a key descriptor to predict CO2 hydrogenation selectivity: weak interaction (e.g., Ni-FeOx interfaces) promotes *CO desorption to increase CO selectivity, while moderate interaction (e.g., Ni-ZrO2 interfaces) facilitates further hydrogenation of *CO to produce CH4.

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Metadata

Authors
Yan, B., Zhao, B., Kattel, S., Wu, Q., Yao, S., Su, D., & Chen, J. G.
Venue
Journal of Catalysis
Publisher
Elsevier BV
Published
2019-06
Volume
374
Pages
60-71
ISSN
0021-9517 (ISSN-L)
OpenAlex
W2944269070
Cited by
220
References
1
FWCI
3.92
Type
journal article
Language
en
Open access
bronze

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CoChat. (2026). Citation check: Tuning CO2 hydrogenation selectivity via metal-oxide interfacial sites. https://app.cochat.ai/papers/10.1016/j.jcat.2019.04.036
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Yan, B., Zhao, B., Kattel, S., Wu, Q., Yao, S., Su, D., & Chen, J. G. (2019). Tuning CO2 hydrogenation selectivity via metal-oxide interfacial sites. Journal of Catalysis. https://doi.org/10.1016/j.jcat.2019.04.036

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