Activation and surface reactions of CO and H2 on ZnO powders and nanoplates under CO hydrogenation reaction conditions

Zhang, Liyuan; Zhang, Xuanyu; Qian, Kun; Cheng, Yongqiang; Daemen, Luke L.; Wu, Zili; Huang, Weixin

doi:10.1016/j.jechem.2020.03.038

Activation and surface reactions of CO and H₂ on ZnO powders and nanoplates under CO hydrogenation reaction conditions

Journal Article · Tue Apr 14 00:00:00 EDT 2020 · Journal of Energy Chemistry

DOI:https://doi.org/10.1016/j.jechem.2020.03.038· OSTI ID:1706236

Zhang, Liyuan ^[1]; Zhang, Xuanyu ^[2]; Qian, Kun ^[1]; Cheng, Yongqiang ^[1]; Daemen, Luke L. ^[3]; ^[3]; ^[1]

Univ. of Science and Technology of China, Hefei (China)
Univ. of Science and Technology of China, Hefei (China); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Here, activation and surface reactions of CO and H₂ on ZnO powders and nanoplates under CO hydrogenation reaction conditions were (quasi) in situ studied using temperature programmed surface reaction spectra, diffuse reflectance Fourier transform infrared spectroscopy, inelastic neutron scattering spectroscopy and electron paramagnetic resonance. CO undergoes disproportion reaction to produce gaseous CO₂ and surface carbon adatoms, and adsorbs to form surface formate species. H₂ adsorption forms dominant irreversibly-adsorbed surface hydroxyl groups and interstitial H species and very minor surface Zn-H species. Surface formate species and hydroxyl groups react to produce CO₂ and H₂, while surface carbon adatoms are hydrogenated by surface Zn-H species sequentially to produce CH(a), CH₂(a), CH₃(a) and eventually gaseous CH₄. The ZnO nanoplates, exposing a higher fraction of Zn-ZnO(0001) and O-ZnO(000–1) polar facets, are more active than the ZnO powders to catalyze CO hydrogenation to CH₄. These results provide fundamental understanding of the reaction mechanisms and structural effects of CO hydrogenation reaction catalyzed by ZnO-based catalysts.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: National Key R&D Program of Ministry of Science and Technology of China; National Natural Science Foundation of China (NNSFC); USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1706236

Alternate ID(s):: OSTI ID: 1615526

Journal Information:: Journal of Energy Chemistry, Journal Name: Journal of Energy Chemistry Journal Issue: n/a Vol. 50; ISSN 2095-4956

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Activation and surface reactions of CO and H2 on ZnO powders and nanoplates under CO hydrogenation reaction conditions

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