Optimizing Binding Energies of Key Intermediates for CO2 Hydrogenation to Methanol over Oxide-Supported Copper
Abstract
Rational optimization of catalytic performance has been one of the major challenges in catalysis. In this paper, we report a bottom-up study on the ability of TiO2 and ZrO2 to optimize the CO2 conversion to methanol on Cu, using combined density functional theory (DFT) calculations, kinetic Monte Carlo (KMC) simulations, in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) measurements, and steady-state flow reactor tests. Furthermore, the theoretical results from DFT and KMC agree with in situ DRIFTS measurements, showing that both TiO2 and ZrO2 help to promote methanol synthesis on Cu via carboxyl intermediates and the reverse water–gas-shift (RWGS) pathway; the formate intermediates, on the other hand, likely act as a spectator eventually. The origin of the superior promoting effect of ZrO2 is associated with the fine-tuning capability of reduced Zr3+ at the interface, being able to bind the key reaction intermediates, e.g. *CO2, *CO, *HCO, and *H2CO, moderately to facilitate methanol formation. Our study demonstrates the importance of synergy between theory and experiments to elucidate the complex reaction mechanisms of CO2 hydrogenation for the realization of a better catalyst by design.
- Authors:
-
- Brookhaven National Lab. (BNL), Upton, NY (United States)
- Brookhaven National Lab. (BNL), Upton, NY (United States); Tsinghua Univ., Beijing (China)
- Stony Brook Univ., NY (United States)
- Brookhaven National Lab. (BNL), Upton, NY (United States); Columbia Univ., New York, NY (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Brookhaven National Laboratory (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division
- OSTI Identifier:
- 1345746
- Report Number(s):
- BNL-113590-2017-JA
Journal ID: ISSN 0002-7863; R&D Project: CO009; KC0302010
- Grant/Contract Number:
- SC0012704; AC02-05CH11231; AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of the American Chemical Society
- Additional Journal Information:
- Journal Volume: 138; Journal Issue: 38; Journal ID: ISSN 0002-7863
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Oxides; Catalysts; Chemical reactions; Hydrogenation; Selectivity
Citation Formats
Kattel, Shyam, Yan, Binhang, Yang, Yixiong, Chen, Jingguang G., and Liu, Ping. Optimizing Binding Energies of Key Intermediates for CO2 Hydrogenation to Methanol over Oxide-Supported Copper. United States: N. p., 2016.
Web. doi:10.1021/jacs.6b05791.
Kattel, Shyam, Yan, Binhang, Yang, Yixiong, Chen, Jingguang G., & Liu, Ping. Optimizing Binding Energies of Key Intermediates for CO2 Hydrogenation to Methanol over Oxide-Supported Copper. United States. https://doi.org/10.1021/jacs.6b05791
Kattel, Shyam, Yan, Binhang, Yang, Yixiong, Chen, Jingguang G., and Liu, Ping. Mon .
"Optimizing Binding Energies of Key Intermediates for CO2 Hydrogenation to Methanol over Oxide-Supported Copper". United States. https://doi.org/10.1021/jacs.6b05791. https://www.osti.gov/servlets/purl/1345746.
@article{osti_1345746,
title = {Optimizing Binding Energies of Key Intermediates for CO2 Hydrogenation to Methanol over Oxide-Supported Copper},
author = {Kattel, Shyam and Yan, Binhang and Yang, Yixiong and Chen, Jingguang G. and Liu, Ping},
abstractNote = {Rational optimization of catalytic performance has been one of the major challenges in catalysis. In this paper, we report a bottom-up study on the ability of TiO2 and ZrO2 to optimize the CO2 conversion to methanol on Cu, using combined density functional theory (DFT) calculations, kinetic Monte Carlo (KMC) simulations, in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) measurements, and steady-state flow reactor tests. Furthermore, the theoretical results from DFT and KMC agree with in situ DRIFTS measurements, showing that both TiO2 and ZrO2 help to promote methanol synthesis on Cu via carboxyl intermediates and the reverse water–gas-shift (RWGS) pathway; the formate intermediates, on the other hand, likely act as a spectator eventually. The origin of the superior promoting effect of ZrO2 is associated with the fine-tuning capability of reduced Zr3+ at the interface, being able to bind the key reaction intermediates, e.g. *CO2, *CO, *HCO, and *H2CO, moderately to facilitate methanol formation. Our study demonstrates the importance of synergy between theory and experiments to elucidate the complex reaction mechanisms of CO2 hydrogenation for the realization of a better catalyst by design.},
doi = {10.1021/jacs.6b05791},
journal = {Journal of the American Chemical Society},
number = 38,
volume = 138,
place = {United States},
year = {Mon Aug 29 00:00:00 EDT 2016},
month = {Mon Aug 29 00:00:00 EDT 2016}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 475 works
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Decomposition and combined reforming of methanol to hydrogen: a FTIR and QMS study on Cu and Au catalysts supported on ZnO and TiO2
journal, May 2005
- Manzoli, Maela; Chiorino, Anna; Boccuzzi, Flora
- Applied Catalysis B: Environmental, Vol. 57, Issue 3
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
Electronic Structure of Partially Reduced Rutile TiO 2 (110) Surface: Where Are the Unpaired Electrons Located?
journal, February 2011
- Chrétien, Steeve; Metiu, Horia
- The Journal of Physical Chemistry C, Vol. 115, Issue 11
Acidic properties of alumina-supported metal oxide catalysts: an infrared spectroscopy study
journal, June 1992
- Turek, Andrzej M.; Wachs, Israel E.; DeCanio, Elaine
- The Journal of Physical Chemistry, Vol. 96, Issue 12
Effective conversion of carbon dioxide and hydrogen to hydrocarbons
journal, August 1991
- Inui, Tomoyuki; Takeguchi, Tatsuya
- Catalysis Today, Vol. 10, Issue 1
Catalysis for the Valorization of Exhaust Carbon: from CO 2 to Chemicals, Materials, and Fuels. Technological Use of CO 2
journal, November 2013
- Aresta, Michele; Dibenedetto, Angela; Angelini, Antonella
- Chemical Reviews, Vol. 114, Issue 3
From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999
- Kresse, G.; Joubert, D.
- Physical Review B, Vol. 59, Issue 3, p. 1758-1775
Gold, Copper, and Platinum Nanoparticles Dispersed on CeO x /TiO 2 (110) Surfaces: High Water-Gas Shift Activity and the Nature of the Mixed-Metal Oxide at the Nanometer Level
journal, January 2010
- Park, Joon B.; Graciani, Jesus; Evans, Jaime
- Journal of the American Chemical Society, Vol. 132, Issue 1
Particle Size Effects in the Catalytic Electroreduction of CO 2 on Cu Nanoparticles
journal, May 2014
- Reske, Rulle; Mistry, Hemma; Behafarid, Farzad
- Journal of the American Chemical Society, Vol. 136, Issue 19
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998
- Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.
- Physical Review B, Vol. 57, Issue 3, p. 1505-1509
Status and perspectives of CO2 conversion into fuels and chemicals by catalytic, photocatalytic and electrocatalytic processes
journal, January 2013
- Kondratenko, Evgenii V.; Mul, Guido; Baltrusaitis, Jonas
- Energy & Environmental Science, Vol. 6, Issue 11
Simultaneous MS-IR Studies of Surface Formate Reactivity Under Methanol Synthesis Conditions on Cu/SiO2
journal, June 2009
- Yang, Y.; Mims, C. A.; Disselkamp, R. S.
- Topics in Catalysis, Vol. 52, Issue 10
(Non)formation of Methanol by Direct Hydrogenation of Formate on Copper Catalysts
journal, July 2010
- Yang, Yong; Mims, C. A.; Disselkamp, R. S.
- The Journal of Physical Chemistry C, Vol. 114, Issue 40
In-SituInfrared Study of Methanol Synthesis from H2/CO2over Cu/SiO2and Cu/ZrO2/SiO2
journal, November 1997
- Fisher, Ian A.; Bell, Alexis T.
- Journal of Catalysis, Vol. 172, Issue 1
Interface-Confined Ferrous Centers for Catalytic Oxidation
journal, May 2010
- Fu, Q.; Li, W. -X.; Yao, Y.
- Science, Vol. 328, Issue 5982
CO2 fixation into methanol at Cu/ZrO2 interface from first principles kinetic Monte Carlo
journal, April 2009
- Tang, Qian-Lin; Hong, Qi-Jun; Liu, Zhi-Pan
- Journal of Catalysis, Vol. 263, Issue 1
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
Comments on electronic effects in strong metal-support interactions on titania-deposited metal catalysts
journal, August 1985
- Solymosi, F.
- Journal of Catalysis, Vol. 94, Issue 2
Theoretical Study of Methanol Synthesis from CO 2 Hydrogenation on Metal-Doped Cu(111) Surfaces
journal, December 2011
- Yang, Yixiong; White, Michael G.; Liu, Ping
- The Journal of Physical Chemistry C, Vol. 116, Issue 1
Surface modification of TiO2 with metal oxide nanoclusters: a route to composite photocatalytic materials
journal, January 2011
- Nolan, Michael
- Chemical Communications, Vol. 47, Issue 30
Spectroscopic Observation of Dual Catalytic Sites During Oxidation of CO on a Au/TiO2 Catalyst
journal, August 2011
- Green, I. X.; Tang, W.; Neurock, M.
- Science, Vol. 333, Issue 6043
Progress in carbon dioxide separation and capture: A review
journal, January 2008
- Yang, Hongqun; Xu, Zhenghe; Fan, Maohong
- Journal of Environmental Sciences, Vol. 20, Issue 1, p. 14-27
Reversible structural transformation of FeOx nanostructures on Pt under cycling redox conditions and its effect on oxidation catalysis
journal, January 2013
- Fu, Qiang; Yao, Yunxi; Guo, Xiaoguang
- Physical Chemistry Chemical Physics, Vol. 15, Issue 35
Formation of a ZnO Overlayer in Industrial Cu/ZnO/Al 2 O 3 Catalysts Induced by Strong Metal-Support Interactions
journal, February 2015
- Lunkenbein, Thomas; Schumann, Julia; Behrens, Malte
- Angewandte Chemie International Edition, Vol. 54, Issue 15
Highly active copper-ceria and copper-ceria-titania catalysts for methanol synthesis from CO2
journal, July 2014
- Graciani, J.; Mudiyanselage, K.; Xu, F.
- Science, Vol. 345, Issue 6196
Selectivity of CO 2 Reduction on Copper Electrodes: The Role of the Kinetics of Elementary Steps
journal, January 2013
- Nie, Xiaowa; Esopi, Monica R.; Janik, Michael J.
- Angewandte Chemie International Edition, Vol. 52, Issue 9
In-situ FT-IR study on CO2 hydrogenation over Cu catalysts supported on SiO2, Al2O3, and TiO2
journal, December 1997
- Bando, Kyoko Kitamura; Sayama, Kazuhiro; Kusama, Hitoshi
- Applied Catalysis A: General, Vol. 165, Issue 1-2
Ionic Liquid-Mediated Selective Conversion of CO2 to CO at Low Overpotentials
journal, September 2011
- Rosen, B. A.; Salehi-Khojin, A.; Thorson, M. R.
- Science, Vol. 334, Issue 6056, p. 643-644
IR study on migration of 18OCH3 species on ZrO2
journal, January 1998
- Ouyang, F.; Kondo, J. N.; Maruya, K.
- Catalysis Letters, Vol. 50, Issue 3/4, p. 179-181
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
A Case of Strong Metal-Support Interactions: Combining Advanced Microscopy and Model Systems to Elucidate the Atomic Structure of Interfaces
journal, May 2014
- Willinger, Marc G.; Zhang, Wei; Bondarchuk, Oleksandr
- Angewandte Chemie International Edition, Vol. 53, Issue 23
Recent Advances in Catalysts for Methanol Synthesis via Hydrogenation of CO and CO 2
journal, December 2003
- Liu, Xin-Mei; Lu, G. Q.; Yan, Zi-Feng
- Industrial & Engineering Chemistry Research, Vol. 42, Issue 25
Enhanced Electrochemical Methanation of Carbon Dioxide with a Dispersible Nanoscale Copper Catalyst
journal, September 2014
- Manthiram, Karthish; Beberwyck, Brandon J.; Alivisatos, A. Paul
- Journal of the American Chemical Society, Vol. 136, Issue 38
How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels
journal, January 2010
- Peterson, Andrew A.; Abild-Pedersen, Frank; Studt, Felix
- Energy & Environmental Science, Vol. 3, Issue 9
The effects of zirconia morphology on methanol synthesis from CO and H2 over Cu/ZrO2 catalystsPart II. Transient-response infrared studies
journal, July 2005
- Rhodes, M.; Pokrovski, K.; Bell, A.
- Journal of Catalysis, Vol. 233, Issue 1
Catalysis for CO2 conversion: a key technology for rapid introduction of renewable energy in the value chain of chemical industries
journal, January 2013
- Centi, Gabriele; Quadrelli, Elsje Alessandra; Perathoner, Siglinda
- Energy & Environmental Science, Vol. 6, Issue 6
Comments on: the activity and state of the copper surface in methanolsynthesis catalysts [1]
journal, January 1987
- Campbell, Charles T.
- Applied Catalysis, Vol. 32
Mechanistic Study of Methanol Synthesis from CO 2 and H 2 on a Modified Model Mo 6 S 8 Cluster
journal, January 2015
- Liu, Cheng; Liu, Ping
- ACS Catalysis, Vol. 5, Issue 2
CO 2 hydrogenation to methanol over Cu/ZrO 2 catalysts: Effects of zirconia phases
journal, June 2016
- Witoon, Thongthai; Chalorngtham, Jiraporn; Dumrongbunditkul, Porntipar
- Chemical Engineering Journal, Vol. 293
Mechanism of Methanol Synthesis on Cu through CO 2 and CO Hydrogenation
journal, February 2011
- Grabow, L. C.; Mavrikakis, M.
- ACS Catalysis, Vol. 1, Issue 4
A Highly Selective Copper-Indium Bimetallic Electrocatalyst for the Electrochemical Reduction of Aqueous CO 2 to CO
journal, December 2014
- Rasul, Shahid; Anjum, Dalaver H.; Jedidi, Abdesslem
- Angewandte Chemie International Edition, Vol. 54, Issue 7
Infrared study of syngas adsorption on zirconia
journal, September 1990
- Guglielminotti, Eugenio
- Langmuir, Vol. 6, Issue 9
Low Pressure CO 2 Hydrogenation to Methanol over Gold Nanoparticles Activated on a CeO x /TiO 2 Interface
journal, August 2015
- Yang, Xiaofang; Kattel, Shyam; Senanayake, Sanjaya D.
- Journal of the American Chemical Society, Vol. 137, Issue 32
Intermediate species on zirconia supported methanol aerogel catalysts V. Adsorption of methanol
journal, March 1995
- Bianchi, D.; Chafik, T.; Khalfallah, M.
- Applied Catalysis A: General, Vol. 123, Issue 1
Mechanistic studies of methanol synthesis over Cu from CO/CO2/H2/H2O mixtures: The source of C in methanol and the role of water
journal, February 2013
- Yang, Y.; Mims, C. A.; Mei, D. H.
- Journal of Catalysis, Vol. 298
Molybdenum Carbide as Alternative Catalysts to Precious Metals for Highly Selective Reduction of CO 2 to CO
journal, May 2014
- Porosoff, Marc D.; Yang, Xiaofang; Boscoboinik, J. Anibal
- Angewandte Chemie International Edition, Vol. 53, Issue 26
CO and CO2 hydrogenation over metal oxides: a comparison of ZnO, TiO2 and ZrO2
journal, June 1985
- He, Ming-Yuan; White, J. M.; Ekerdt, J. G.
- Journal of Molecular Catalysis, Vol. 30, Issue 3
Discovery of a Ni-Ga catalyst for carbon dioxide reduction to methanol
journal, March 2014
- Studt, Felix; Sharafutdinov, Irek; Abild-Pedersen, Frank
- Nature Chemistry, Vol. 6, Issue 4
Heterogeneous catalytic CO2 conversion to value-added hydrocarbons
journal, January 2010
- Dorner, Robert W.; Hardy, Dennis R.; Williams, Frederick W.
- Energy & Environmental Science, Vol. 3, Issue 7
Isotope Effects in Methanol Synthesis and the Reactivity of Copper Formates on a Cu/SiO2 Catalyst
journal, August 2008
- Yang, Y.; Mims, C. A.; Disselkamp, R. S.
- Catalysis Letters, Vol. 125, Issue 3-4
Intermediate species on zirconia supported methanol aerogel catalysts
journal, November 1993
- Bianchi, Daniel; Chafik, Tarik; Khalfallah, Mohamed
- Applied Catalysis A: General, Vol. 105, Issue 2
Understanding the Behavior of TiO 2 (110)-Supported Pd 7 Cluster: A Density Functional Study
journal, November 2012
- Liu, Ping
- The Journal of Physical Chemistry C, Vol. 116, Issue 48
Effect of supports on copper Catalysts for Methanol Synthesis from CO2 + H2
journal, January 1995
- Tagawa, Tomohiko; Nomura, Naofumi; Shimakage, Masashi
- Research on Chemical Intermediates, Vol. 21, Issue 2
Interface-Confined Oxide Nanostructures for Catalytic Oxidation Reactions
journal, March 2013
- Fu, Qiang; Yang, Fan; Bao, Xinhe
- Accounts of Chemical Research, Vol. 46, Issue 8
Adsorption of formic acid on rutile TiO 2 (110) revisited: An infrared reflection-absorption spectroscopy and density functional theory study
journal, January 2014
- Mattsson, A.; Hu, Shuanglin; Hermansson, K.
- The Journal of Chemical Physics, Vol. 140, Issue 3
Influence of ZrO 2 Structure and Copper Electronic State on Activity of Cu/ZrO 2 Catalysts in Methanol Synthesis from CO 2
journal, September 2014
- Samson, K.; Śliwa, M.; Socha, R. P.
- ACS Catalysis, Vol. 4, Issue 10
Efficient Monte Carlo methods for the simulation of catalytic surface reactions
journal, August 1998
- Lukkien, J. J.; Segers, J. P. L.; Hilbers, P. A. J.
- Physical Review E, Vol. 58, Issue 2
Mechanism of CO2 reduction by H2 on Ru(0 0 0 1) and general selectivity descriptors for late-transition metal catalysts
journal, November 2016
- Avanesian, Talin; Gusmão, Gabriel S.; Christopher, Phillip
- Journal of Catalysis, Vol. 343
Glycine–nitrate combustion synthesis of CuO–ZnO–ZrO2 catalysts for methanol synthesis from CO2 hydrogenation
journal, May 2010
- Guo, Xiaoming; Mao, Dongsen; Lu, Guanzhong
- Journal of Catalysis, Vol. 271, Issue 2
Spillover in Heterogeneous Catalysis
journal, May 1995
- Conner, W. Curtis.; Falconer, John L.
- Chemical Reviews, Vol. 95, Issue 3
Special points for Brillouin-zone integrations
journal, June 1976
- Monkhorst, Hendrik J.; Pack, James D.
- Physical Review B, Vol. 13, Issue 12, p. 5188-5192
FTIR study of formic acid interaction with TiO2 and TiO2 doped with Pd and Cu in photocatalytic processes
journal, December 2004
- Araña, J.; Garriga i. Cabo, C.; Doña-Rodrı́guez, J. M.
- Applied Surface Science, Vol. 239, Issue 1
Methanol synthesis from CO2 hydrogenation over copper based catalysts
journal, May 2013
- Ahouari, Hania; Soualah, Ahcène; Le Valant, Anthony
- Reaction Kinetics, Mechanisms and Catalysis, Vol. 110, Issue 1
A theoretical study for methanol synthesis by CO2 hydrogenation
journal, April 1997
- Kakumoto, Terumitsu; Watanabe, Taiki
- Catalysis Today, Vol. 36, Issue 1
Carbon Dioxide Conversion to Methanol over Size-Selected Cu 4 Clusters at Low Pressures
journal, July 2015
- Liu, Cong; Yang, Bing; Tyo, Eric
- Journal of the American Chemical Society, Vol. 137, Issue 27
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
CO 2 Hydrogenation over Oxide-Supported PtCo Catalysts: The Role of the Oxide Support in Determining the Product Selectivity
journal, May 2016
- Kattel, Shyam; Yu, Weiting; Yang, Xiaofang
- Angewandte Chemie International Edition, Vol. 55, Issue 28
Accurate and simple analytic representation of the electron-gas correlation energy
journal, June 1992
- Perdew, John P.; Wang, Yue
- Physical Review B, Vol. 45, Issue 23, p. 13244-13249
A theoretical study for the CO2 hydrogenation mechanism on Cu/ZnO catalyst
journal, June 1995
- Kakumoto, Terumitsu
- Energy Conversion and Management, Vol. 36, Issue 6-9
Controlling Catalytic Selectivities during CO 2 Electroreduction on Thin Cu Metal Overlayers
journal, July 2013
- Reske, Rulle; Duca, Matteo; Oezaslan, Mehtap
- The Journal of Physical Chemistry Letters, Vol. 4, Issue 15
The critical role of water at the gold-titania interface in catalytic CO oxidation
journal, September 2014
- Saavedra, J.; Doan, H. A.; Pursell, C. J.
- Science, Vol. 345, Issue 6204
Dissociative adsorption of hydrogen on strained Cu surfaces
journal, February 2003
- Sakong, Sung; Groß, Axel
- Surface Science, Vol. 525, Issue 1-3
Fundamental studies of methanol synthesis from CO2 hydrogenation on Cu(111), Cu clusters, and Cu/ZnO(0001̄)
journal, January 2010
- Yang, Yixiong; Evans, Jaime; Rodriguez, Jose A.
- Physical Chemistry Chemical Physics, Vol. 12, Issue 33
Works referencing / citing this record:
Exploring the ternary interactions in Cu–ZnO–ZrO2 catalysts for efficient CO2 hydrogenation to methanol
journal, March 2019
- Wang, Yuhao; Kattel, Shyam; Gao, Wengui
- Nature Communications, Vol. 10, Issue 1
Efficient synthesis of ethanol by methanol homologation using CO 2 at lower temperature
journal, January 2019
- Wang, Ying; Zhang, Jingjing; Qian, Qingli
- Green Chemistry, Vol. 21, Issue 3
Mechanism of the Reverse Water–Gas Shift Reaction Catalyzed by Cu12TM Bimetallic Nanocluster: A Density Functional Theory Study
journal, February 2018
- Zhang, Qian; Guo, Ling
- Journal of Cluster Science, Vol. 29, Issue 5
Selective Hydrogenation of CO 2 to CH 3 OH on Supported Cu Nanoparticles Promoted by Isolated Ti IV Surface Sites on SiO 2
journal, February 2019
- Noh, Gina; Lam, Erwin; Alfke, Jan Lucas
- ChemSusChem, Vol. 12, Issue 5
One-Step Reforming of CO 2 and CH 4 into High-Value Liquid Chemicals and Fuels at Room Temperature by Plasma-Driven Catalysis
journal, September 2017
- Wang, Li; Yi, Yanhui; Wu, Chunfei
- Angewandte Chemie International Edition, Vol. 56, Issue 44
N-doping nanoporous carbon microspheres derived from MOFs for highly efficient removal of formaldehyde
journal, January 2019
- Li, Xinyang; Sun, Yiqiang; Zhang, Tao
- Nanotechnology, Vol. 30, Issue 10
A highly selective and stable ZnO-ZrO 2 solid solution catalyst for CO 2 hydrogenation to methanol
journal, October 2017
- Wang, Jijie; Li, Guanna; Li, Zelong
- Science Advances, Vol. 3, Issue 10
CO 2 -to-Methanol Hydrogenation on Zirconia-Supported Copper Nanoparticles: Reaction Intermediates and the Role of the Metal-Support Interface
journal, February 2017
- Larmier, Kim; Liao, Wei-Chih; Tada, Shohei
- Angewandte Chemie, Vol. 129, Issue 9
Polymorph selection towards photocatalytic gaseous CO2 hydrogenation
journal, June 2019
- Yan, Tingjiang; Wang, Lu; Liang, Yan
- Nature Communications, Vol. 10, Issue 1
Efficient transformative HCHO capture by defective NH 2 -UiO-66(Zr) at room temperature
journal, January 2019
- Ezugwu, Chizoba I.; Zhang, Shuping; Li, Shuping
- Environmental Science: Nano, Vol. 6, Issue 10
Influences of particle size and crystallinity of highly loaded CuO/ZrO 2 on CO 2 hydrogenation to methanol
journal, July 2019
- Fujiwara, Kakeru; Tada, Shohei; Honma, Tetsuo
- AIChE Journal, Vol. 65, Issue 12
Na + -gated water-conducting nanochannels for boosting CO 2 conversion to liquid fuels
journal, February 2020
- Li, Huazheng; Qiu, Chenglong; Ren, Shoujie
- Science, Vol. 367, Issue 6478
Highly efficient binary copper−iron catalyst for photoelectrochemical carbon dioxide reduction toward methane
journal, January 2020
- Zhou, Baowen; Ou, Pengfei; Pant, Nick
- Proceedings of the National Academy of Sciences, Vol. 117, Issue 3
Active sites for tandem reactions of CO 2 reduction and ethane dehydrogenation
journal, July 2018
- Yan, Binhang; Yao, Siyu; Kattel, Shyam
- Proceedings of the National Academy of Sciences, Vol. 115, Issue 33
Synthesis of Aluminium Doped Na-Titanate Nanorods and Its Application as Potential CO2 Hydrogenation Catalysts
journal, July 2019
- Guzmán-Cruz, M. A.; Ramesh-Kumar, Ch.; Acosta-Alejandro, M.
- Catalysis Letters, Vol. 149, Issue 12
Nano-sized ZrO 2 derived from metal–organic frameworks and their catalytic performance for aromatic synthesis from syngas
journal, January 2019
- Liu, Jingge; He, Yurong; Yan, Linlin
- Catalysis Science & Technology, Vol. 9, Issue 11
Methanol synthesis revisited: reaction mechanisms in CO/CO 2 hydrogenation over Cu/ZnO and DFT analysis
journal, January 2019
- Gogate, Makarand R.
- Petroleum Science and Technology, Vol. 37, Issue 5
Direct Production of Higher Oxygenates by Syngas Conversion over a Multifunctional Catalyst
journal, February 2019
- Lin, Tiejun; Qi, Xingzhen; Wang, Xinxing
- Angewandte Chemie International Edition, Vol. 58, Issue 14
DFT study of CO 2 conversion on InZr 3 (110) surface
journal, January 2017
- Zhang, Minhua; Dou, Maobin; Yu, Yingzhe
- Physical Chemistry Chemical Physics, Vol. 19, Issue 42
Selective Hydrogenation of CO 2 to Ethanol over Cobalt Catalysts
journal, April 2018
- Wang, Lingxiang; Wang, Liang; Zhang, Jian
- Angewandte Chemie International Edition, Vol. 57, Issue 21
Active sites for CO 2 hydrogenation to methanol on Cu/ZnO catalysts
journal, March 2017
- Kattel, Shyam; Ramírez, Pedro J.; Chen, Jingguang G.
- Science, Vol. 355, Issue 6331
Ethanol and Higher Alcohols Synthesis from Syngas over CuCoM (M=Fe, Cr, Ga and Al) Nanoplates Derived From Hydrotalcite‐Like Precursors
journal, April 2019
- Sun, Kai; Wu, Yingquan; Tan, Minghui
- ChemCatChem, Vol. 11, Issue 11
Carboxyl intermediate formation via an in situ-generated metastable active site during water-gas shift catalysis
journal, September 2019
- Nelson, Nicholas C.; Nguyen, Manh-Thuong; Glezakou, Vassiliki-Alexandra
- Nature Catalysis, Vol. 2, Issue 10
Recent In Situ/Operando Spectroscopy Studies of Heterogeneous Catalysis with Reducible Metal Oxides as Supports
journal, May 2019
- Wang, Fei; Jiang, Jianzhun; Wang, Bin
- Catalysts, Vol. 9, Issue 5
Sequential Oxygen Reduction and Adsorption for Carbon Dioxide Purification for Flue Gas Applications
journal, March 2019
- Kuhn, Andrew N.; Chen, Zhitao; Lu, Yongqi
- Energy Technology, Vol. 7, Issue 4
CO 2 adsorption on hydroxylated In 2 O 3 (110)
journal, January 2019
- Posada-Borbón, Alvaro; Grönbeck, Henrik
- Physical Chemistry Chemical Physics, Vol. 21, Issue 39
Selective Hydrogenation of CO 2 to Ethanol over Cobalt Catalysts
journal, April 2018
- Wang, Lingxiang; Wang, Liang; Zhang, Jian
- Angewandte Chemie, Vol. 130, Issue 21
Direct Production of Higher Oxygenates by Syngas Conversion over a Multifunctional Catalyst
journal, February 2019
- Lin, Tiejun; Qi, Xingzhen; Wang, Xinxing
- Angewandte Chemie, Vol. 131, Issue 14
Cu2O nanocubes with mixed oxidation-state facets for (photo)catalytic hydrogenation of carbon dioxide
journal, September 2019
- Wan, Lili; Zhou, Qixing; Wang, Xin
- Nature Catalysis, Vol. 2, Issue 10
Capsule‐Structured Copper–Zinc Catalyst for Highly Efficient Hydrogenation of Carbon Dioxide to Methanol
journal, November 2019
- Guo, Yongle; Guo, Xinwen; Song, Chunshan
- ChemSusChem, Vol. 12, Issue 22
Methanol synthesis via CO 2 hydrogenation over CuO–ZrO 2 prepared by two-nozzle flame spray pyrolysis
journal, January 2018
- Tada, Shohei; Larmier, Kim; Büchel, Robert
- Catalysis Science & Technology, Vol. 8, Issue 8
Copper–Zirconia Catalysts: Powerful Multifunctional Catalytic Tools to Approach Sustainable Processes
journal, February 2020
- Scotti, Nicola; Bossola, Filippo; Zaccheria, Federica
- Catalysts, Vol. 10, Issue 2
Rational Engineering of Multilayered Co 3 O 4 /ZnO Nanocatalysts through Chemical Transformations from Matryoshka‐Type ZIFs
journal, August 2019
- Huang, Zhongliang; Fan, Longlong; Zhao, Feigang
- Advanced Functional Materials, Vol. 29, Issue 42
CO 2 -to-Methanol Hydrogenation on Zirconia-Supported Copper Nanoparticles: Reaction Intermediates and the Role of the Metal-Support Interface
journal, January 2017
- Larmier, Kim; Liao, Wei-Chih; Tada, Shohei
- Angewandte Chemie International Edition, Vol. 56, Issue 9
Activation of CO 2 by supported Cu clusters
journal, January 2017
- Iyemperumal, Satish Kumar; Deskins, N. Aaron
- Physical Chemistry Chemical Physics, Vol. 19, Issue 42
Methanol Synthesis from CO2: A Review of the Latest Developments in Heterogeneous Catalysis
journal, November 2019
- Guil-López, R.; Mota, N.; Llorente, J.
- Materials, Vol. 12, Issue 23
Selective hydrogenation of CO 2 to methanol catalyzed by Cu supported on rod-like La 2 O 2 CO 3
journal, January 2018
- Chen, Kun; Duan, Xinping; Fang, Huihuang
- Catalysis Science & Technology, Vol. 8, Issue 4
Capsule‐Structured Copper–Zinc Catalyst for Highly Efficient Hydrogenation of Carbon Dioxide to Methanol
journal, October 2019
- Guo, Yongle; Guo, Xinwen; Song, Chunshan
- ChemSusChem, Vol. 12, Issue 22
Sequential Oxygen Reduction and Adsorption for Carbon Dioxide Purification for Flue Gas Applications
journal, March 2019
- Kuhn, Andrew N.; Chen, Zhitao; Lu, Yongqi
- Energy Technology, Vol. 7, Issue 4
One-Step Reforming of CO 2 and CH 4 into High-Value Liquid Chemicals and Fuels at Room Temperature by Plasma-Driven Catalysis
journal, September 2017
- Wang, Li; Yi, Yanhui; Wu, Chunfei
- Angewandte Chemie, Vol. 129, Issue 44
Exploring the ternary interactions in Cu–ZnO–ZrO2 catalysts for efficient CO2 hydrogenation to methanol
journal, March 2019
- Wang, Yuhao; Kattel, Shyam; Gao, Wengui
- Nature Communications, Vol. 10, Issue 1
Synergistic ultraviolet and visible light photo-activation enables intensified low-temperature methanol synthesis over copper/zinc oxide/alumina
journal, March 2020
- Xie, Bingqiao; Wong, Roong Jien; Tan, Tze Hao
- Nature Communications, Vol. 11, Issue 1
Gas fermentation: cellular engineering possibilities and scale up
journal, April 2017
- Heijstra, Björn D.; Leang, Ching; Juminaga, Alex
- Microbial Cell Factories, Vol. 16, Issue 1