Exploring the ternary interactions in Cu–ZnO–ZrO2 catalysts for efficient CO2 hydrogenation to methanol
Abstract
The synergistic interaction among different components in complex catalysts is one of the crucial factors in determining catalytic performance. Here we report the interactions among the three components in controlling the catalytic performance of Cu–ZnO–ZrO2 (CZZ) catalyst for CO2 hydrogenation to methanol. The in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) measurements under the activity test pressure (3 MPa) reveal that the CO2 hydrogenation to methanol on the CZZ catalysts follows the formate pathway. Density functional theory (DFT) calculations agree with the in situ DRIFTS measurements, showing that the ZnO–ZrO2 interfaces are the active sites for CO2 adsorption and conversion, while the presence of metallic Cu is also necessary to facilitate H2 dissociation and to provide hydrogen resource. The combined experiment and DFT results reveal that tuning the interaction between ZnO and ZrO2 can be considered as another important factor for designing high performance catalysts for methanol generation from CO2.
- Authors:
-
- Kunming Univ. of Science and Technology (China). State Key Lab. of Complex Nonferrous Metal Resources Clean Utilization Engineering. Faculty of Metallurgical and Energy Engineering
- Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Division
- Kunming Univ. of Science and Technology (China). State Key Lab. of Complex Nonferrous Metal Resources Clean Utilization Engineering; Columbia Univ., New York, NY (United States). Dept. of Earth and Environmental Engineering
- Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Division; Columbia Univ., New York, NY (United States). Dept. of Chemical Engineering
- Kunming Univ. of Science and Technology (China). State Key Lab. of Complex Nonferrous Metal Resources Clean Utilization Engineering; Dali Univ. (China). School of Pharmacy and Chemistry
- Publication Date:
- Research Org.:
- Brookhaven National Laboratory (BNL), Upton, NY (United States); Kunming Univ. of Science and Technology (China)
- Sponsoring Org.:
- USDOE Office of Science (SC); National Natural Science Foundation of China (NSFC); National Key Technologies R & D Program of China; Candidate Talents Training Fund of Yunnan Province (China)
- OSTI Identifier:
- 1504379
- Report Number(s):
- BNL-211494-2019-JAAM
Journal ID: ISSN 2041-1723
- Grant/Contract Number:
- SC0012704; AC02-05CH11231; 51774159; 51304099; 51404122; 2011BAC01B03; 2014HB006
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Nature Communications
- Additional Journal Information:
- Journal Volume: 10; Journal ID: ISSN 2041-1723
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; catalytic mechanisms; chemical engineering; heterogeneous catalysis
Citation Formats
Wang, Yuhao, Kattel, Shyam, Gao, Wengui, Li, Kongzhai, Liu, Ping, Chen, Jingguang G., and Wang, Hua. Exploring the ternary interactions in Cu–ZnO–ZrO2 catalysts for efficient CO2 hydrogenation to methanol. United States: N. p., 2019.
Web. doi:10.1038/s41467-019-09072-6.
Wang, Yuhao, Kattel, Shyam, Gao, Wengui, Li, Kongzhai, Liu, Ping, Chen, Jingguang G., & Wang, Hua. Exploring the ternary interactions in Cu–ZnO–ZrO2 catalysts for efficient CO2 hydrogenation to methanol. United States. https://doi.org/10.1038/s41467-019-09072-6
Wang, Yuhao, Kattel, Shyam, Gao, Wengui, Li, Kongzhai, Liu, Ping, Chen, Jingguang G., and Wang, Hua. Mon .
"Exploring the ternary interactions in Cu–ZnO–ZrO2 catalysts for efficient CO2 hydrogenation to methanol". United States. https://doi.org/10.1038/s41467-019-09072-6. https://www.osti.gov/servlets/purl/1504379.
@article{osti_1504379,
title = {Exploring the ternary interactions in Cu–ZnO–ZrO2 catalysts for efficient CO2 hydrogenation to methanol},
author = {Wang, Yuhao and Kattel, Shyam and Gao, Wengui and Li, Kongzhai and Liu, Ping and Chen, Jingguang G. and Wang, Hua},
abstractNote = {The synergistic interaction among different components in complex catalysts is one of the crucial factors in determining catalytic performance. Here we report the interactions among the three components in controlling the catalytic performance of Cu–ZnO–ZrO2 (CZZ) catalyst for CO2 hydrogenation to methanol. The in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) measurements under the activity test pressure (3 MPa) reveal that the CO2 hydrogenation to methanol on the CZZ catalysts follows the formate pathway. Density functional theory (DFT) calculations agree with the in situ DRIFTS measurements, showing that the ZnO–ZrO2 interfaces are the active sites for CO2 adsorption and conversion, while the presence of metallic Cu is also necessary to facilitate H2 dissociation and to provide hydrogen resource. The combined experiment and DFT results reveal that tuning the interaction between ZnO and ZrO2 can be considered as another important factor for designing high performance catalysts for methanol generation from CO2.},
doi = {10.1038/s41467-019-09072-6},
journal = {Nature Communications},
number = ,
volume = 10,
place = {United States},
year = {Mon Mar 11 00:00:00 EDT 2019},
month = {Mon Mar 11 00:00:00 EDT 2019}
}
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The effects of zirconia morphology on methanol synthesis from CO and H2 over Cu/ZrO2 catalystsPart II. Transient-response infrared studies
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Synthesis, characterization and activity pattern of Cu–ZnO/ZrO2 catalysts in the hydrogenation of carbon dioxide to methanol
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Transient behavior of Cu/ZnO-based methanol synthesis catalysts
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Glycine–nitrate combustion synthesis of CuO–ZnO–ZrO2 catalysts for methanol synthesis from CO2 hydrogenation
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Effects of oxide carriers on surface functionality and process performance of the Cu–ZnO system in the synthesis of methanol via CO2 hydrogenation
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Effect of the ZrO2 phase on the structure and behavior of supported Cu catalysts for ethanol conversion
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The Cu–ZnO synergy in methanol synthesis from CO2, Part 1: Origin of active site explained by experimental studies and a sphere contact quantification model on Cu + ZnO mechanical mixtures
journal, April 2015
- Le Valant, Anthony; Comminges, Clément; Tisseraud, Céline
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Highly selective hydrogenation of CO2 to methanol over CuO–ZnO–ZrO2 catalysts prepared by a surfactant-assisted co-precipitation method
journal, April 2015
- Li, Li; Mao, Dongsen; Yu, Jun
- Journal of Power Sources, Vol. 279
Challenges in the Greener Production of Formates/Formic Acid, Methanol, and DME by Heterogeneously Catalyzed CO 2 Hydrogenation Processes
journal, May 2017
- Álvarez, Andrea; Bansode, Atul; Urakawa, Atsushi
- Chemical Reviews, Vol. 117, Issue 14
Role of the Cu-ZrO 2 Interfacial Sites for Conversion of Ethanol to Ethyl Acetate and Synthesis of Methanol from CO 2 and H 2
journal, September 2016
- Ro, Insoo; Liu, Yifei; Ball, Madelyn R.
- ACS Catalysis, Vol. 6, Issue 10
In Situ FTIR Spectroscopic Analysis of Carbonate Transformations during Adsorption and Desorption of CO 2 in K-Promoted HTlc
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- Du, Hai; Williams, Christopher T.; Ebner, Armin D.
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Optimizing Binding Energies of Key Intermediates for CO 2 Hydrogenation to Methanol over Oxide-Supported Copper
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Tuning Selectivity of CO 2 Hydrogenation Reactions at the Metal/Oxide Interface
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Theoretical Study of Methanol Synthesis from CO 2 Hydrogenation on Metal-Doped Cu(111) Surfaces
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Adsorption of CO 2 at ZnO: A Surface Structure Effect from DFT+ U Calculations
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Structure sensitivity of Cu and CuZn catalysts relevant to industrial methanol synthesis
journal, October 2016
- van den Berg, Roy; Prieto, Gonzalo; Korpershoek, Gerda
- Nature Communications, Vol. 7, Issue 1
Recent advances in catalytic hydrogenation of carbon dioxide
journal, January 2011
- Wang, Wei; Wang, Shengping; Ma, Xinbin
- Chemical Society Reviews, Vol. 40, Issue 7
Au/3DOM Co3O4: highly active nanocatalysts for the oxidation of carbon monoxide and toluene
journal, January 2013
- Xie, Shaohua; Dai, Hongxing; Deng, Jiguang
- Nanoscale, Vol. 5, Issue 22
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
journal, December 2000
- Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes
- The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904
The Active Site of Methanol Synthesis over Cu/ZnO/Al2O3 Industrial Catalysts
journal, April 2012
- Behrens, M.; Studt, F.; Kasatkin, I.
- Science, Vol. 336, Issue 6083, p. 893-897
Quantifying the promotion of Cu catalysts by ZnO for methanol synthesis
journal, May 2016
- Kuld, S.; Thorhauge, M.; Falsig, H.
- Science, Vol. 352, Issue 6288
Biaxially strained PtPb/Pt core/shell nanoplate boosts oxygen reduction catalysis
journal, December 2016
- Bu, Lingzheng; Zhang, Nan; Guo, Shaojun
- Science, Vol. 354, Issue 6318
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