Role of surface reconstruction on Cu/TiO2 nanotubes for CO2 conversion

Liu, Chao; Nauert, Scott L.; Alsina, Marco A.; Wang, Dingdi; Grant, Alexander; He, Kai; Weitz, Eric; Nolan, Michael; Gray, Kimberly A.; Notestein, Justin M.

doi:10.1016/j.apcatb.2019.117754

Title: Role of surface reconstruction on Cu/TiO₂ nanotubes for CO₂ conversion

Abstract

Carbon dioxide hydrogenation to CO via the reverse water gas shift (RWGS) reaction is one route to integrate CO₂ utilization into the chemical industry. TiO₂ supported Cu catalysts are known to be active for RWGS, but Cu is shown here to behave differently on TiO₂ nanotubes (TiNT) vs TiO₂ nanoparticles (TiNP). Whereas nanoparticle supports give low rates that are hardly changed by added Cu, the nanotube supports yield much higher activity and three distinct behaviors as the Cu surface density increases. At low surface densities (0.3 Cu/nm²), active Cu-O-Ti sites are created that have low apparent activation energies. At high surface densities (6 Cu/nm²), Cu nanoparticles on TiNT are formed, and reaction barriers are lowered when both Cu and TiNT surfaces are accessible. At intermediate surface densities, metallic Cu domains are engulfed by a TiOx overlayer formed during H₂ pretreatment, akin to those formed by classical strong metal support interactions (SMSI). These reduced layers are markedly more active for RWGS than the initial TiNT surfaces, but have similar activation barriers, which are higher than those for which both Cu and TiNP surfaces are exposed. These catalytic findings are supported by computational modeling, in situ IR, UV–vis, and X-ray absorption spectroscopies,more »« less

Authors:

Liu, Chao ^[1]; Nauert, Scott L. ^[1]; Alsina, Marco A. ^[1]; Wang, Dingdi ^[1]; Grant, Alexander ^[1]; He, Kai ^[1]; Weitz, Eric ^[1]; Nolan, Michael ^[2]; Gray, Kimberly A. ^[1]; Notestein, Justin M. ^[1]

Northwestern Univ., Evanston, IL (United States)
University College Cork (Ireland)

Publication Date:: Thu May 16 00:00:00 EDT 2019

Research Org.:: Northwestern Univ., Evanston, IL (United States)

Sponsoring Org.:: USDOE Office of Science (SC)

OSTI Identifier:: 1800082

Alternate Identifier(s):: OSTI ID: 1518530

Grant/Contract Number:: FG02-03ER15457; DMR-1121262; DMR-1720139; NNCI-1542205; SFI/US/14/e2915

Resource Type:: Accepted Manuscript

Journal Name:: Applied Catalysis B: Environmental

Additional Journal Information:: Journal Volume: 255; Journal Issue: C; Journal ID: ISSN 0926-3373

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Chemistry; Engineering; Reverse water-gas shift; SMSI; Supported metals; CO₂ conversion; Spectroscopy

Citation Formats


                    Liu, Chao, Nauert, Scott L., Alsina, Marco A., Wang, Dingdi, Grant, Alexander, He, Kai, Weitz, Eric, Nolan, Michael, Gray, Kimberly A., and Notestein, Justin M. Role of surface reconstruction on Cu/TiO2 nanotubes for CO2 conversion.  United States: N. p., 2019. 
Web.  doi:10.1016/j.apcatb.2019.117754.

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                    Liu, Chao, Nauert, Scott L., Alsina, Marco A., Wang, Dingdi, Grant, Alexander, He, Kai, Weitz, Eric, Nolan, Michael, Gray, Kimberly A., & Notestein, Justin M. Role of surface reconstruction on Cu/TiO2 nanotubes for CO2 conversion.  United States.  https://doi.org/10.1016/j.apcatb.2019.117754

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                    Liu, Chao, Nauert, Scott L., Alsina, Marco A., Wang, Dingdi, Grant, Alexander, He, Kai, Weitz, Eric, Nolan, Michael, Gray, Kimberly A., and Notestein, Justin M. Thu .  
"Role of surface reconstruction on Cu/TiO2 nanotubes for CO2 conversion".  United States.  https://doi.org/10.1016/j.apcatb.2019.117754.  https://www.osti.gov/servlets/purl/1800082.

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@article{osti_1800082,

  title        = {Role of surface reconstruction on Cu/TiO2 nanotubes for CO2 conversion},

  author       = {Liu, Chao and Nauert, Scott L. and Alsina, Marco A. and Wang, Dingdi and Grant, Alexander and He, Kai and Weitz, Eric and Nolan, Michael and Gray, Kimberly A. and Notestein, Justin M.},

  abstractNote = {Carbon dioxide hydrogenation to CO via the reverse water gas shift (RWGS) reaction is one route to integrate CO2 utilization into the chemical industry. TiO2 supported Cu catalysts are known to be active for RWGS, but Cu is shown here to behave differently on TiO2 nanotubes (TiNT) vs TiO2 nanoparticles (TiNP). Whereas nanoparticle supports give low rates that are hardly changed by added Cu, the nanotube supports yield much higher activity and three distinct behaviors as the Cu surface density increases. At low surface densities (0.3 Cu/nm2), active Cu-O-Ti sites are created that have low apparent activation energies. At high surface densities (6 Cu/nm2), Cu nanoparticles on TiNT are formed, and reaction barriers are lowered when both Cu and TiNT surfaces are accessible. At intermediate surface densities, metallic Cu domains are engulfed by a TiOx overlayer formed during H2 pretreatment, akin to those formed by classical strong metal support interactions (SMSI). These reduced layers are markedly more active for RWGS than the initial TiNT surfaces, but have similar activation barriers, which are higher than those for which both Cu and TiNP surfaces are exposed. These catalytic findings are supported by computational modeling, in situ IR, UV–vis, and X-ray absorption spectroscopies, and they provide insight into an important reaction for CO2 utilization.},

  doi          = {10.1016/j.apcatb.2019.117754},

  journal      = {Applied Catalysis B: Environmental},

  number       = C,

  volume       = 255,

  place        = {United States},

  year         = {Thu May 16 00:00:00 EDT 2019},

  month        = {Thu May 16 00:00:00 EDT 2019}

}

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Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
DOI: 10.1103/PhysRevLett.77.3865

Catalytic reduction of nitrate in water over Pd–Cu/TiO2 catalyst: Effect of the strong metal-support interaction (SMSI) on the catalytic activity
journal, October 2013

Kim, Min-Sung; Chung, Sang-Ho; Yoo, Chun-Jae
Applied Catalysis B: Environmental, Vol. 142-143
DOI: 10.1016/j.apcatb.2013.05.033

Evidence for Copper Dimers in Low-Loaded CuO _x /SiO ₂ Catalysts for Cyclohexane Oxidative Dehydrogenation
journal, September 2018

Nauert, Scott L.; Rosen, Andrew S.; Kim, Hacksung
ACS Catalysis, Vol. 8, Issue 10
DOI: 10.1021/acscatal.8b02532

States of H2O adsorbed on oxides: An investigation by near and mid infrared spectroscopy
journal, June 2006

Takeuchi, Masato; Bertinetti, L.; Martra, Gianmario
Applied Catalysis A: General, Vol. 307, Issue 1
DOI: 10.1016/j.apcata.2006.03.002

Projector augmented-wave method
journal, December 1994

Blöchl, P. E.
Physical Review B, Vol. 50, Issue 24, p. 17953-17979
DOI: 10.1103/PhysRevB.50.17953

Characterization of species adsorbed on oxidized and reduced anatase
journal, November 1982

Tanaka, Katsumi; White, J. M.
The Journal of Physical Chemistry, Vol. 86, Issue 24
DOI: 10.1021/j100221a014

Evidence of Charge Transfer to Atomic and Molecular Adsorbates on ZnO/X(111) (X = Cu, Ag, Au) Ultrathin Films. Relevance for Cu/ZnO Catalysts
journal, April 2018

Thang, Ho Viet; Tosoni, Sergio; Pacchioni, Gianfranco
ACS Catalysis, Vol. 8, Issue 5
DOI: 10.1021/acscatal.7b03896

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
DOI: 10.1021/j100191a050

Photocatalytic conversion of CH₄ and CO₂ to oxygenated compounds over Cu/CdS–TiO₂/SiO₂ catalyst
journal, December 2004

Shi, Daxin; Feng, Yaqing; Zhong, Shunhe
Catalysis Today, Vol. 98, Issue 4, p. 505-509
DOI: 10.1016/j.cattod.2004.09.004

The Mechanism of CO and CO ₂ Hydrogenation to Methanol over Cu-Based Catalysts
journal, March 2015

Studt, Felix; Behrens, Malte; Kunkes, Edward L.
ChemCatChem, Vol. 7, Issue 7
DOI: 10.1002/cctc.201500123

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
DOI: 10.1103/PhysRevB.59.1758

Cyclohexane oxidative dehydrogenation over copper oxide catalysts
journal, September 2016

Nauert, Scott L.; Schax, Fabian; Limberg, Christian
Journal of Catalysis, Vol. 341
DOI: 10.1016/j.jcat.2016.07.002

Comparison of Metal-Support Interactions in Pt/TiO2 and Pt/CeO2
journal, August 1995

Datye, A. K.; Kalakkad, D. S.; Yao, M. H.
Journal of Catalysis, Vol. 155, Issue 1
DOI: 10.1006/jcat.1995.1196

Adsorbate-mediated strong metal–support interactions in oxide-supported Rh catalysts
journal, September 2016

Matsubu, John C.; Zhang, Shuyi; DeRita, Leo
Nature Chemistry, Vol. 9, Issue 2
DOI: 10.1038/nchem.2607

The effect of SMSI (strong metal-support interaction) behavior on CO adsorption and hydrogenation on Pd catalysts I. IR spectra of adsorbed CO prior to and during reaction conditions
journal, September 1981

Vannice, M.
Journal of Catalysis, Vol. 71, Issue 1
DOI: 10.1016/0021-9517(81)90211-6

On the activation energies of the forward and reverse water-gas shift reaction
journal, January 1995

Spencer, M. S.
Catalysis Letters, Vol. 32, Issue 1-2
DOI: 10.1007/BF00806097

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
DOI: 10.1103/PhysRevB.57.1505

Dissociative adsorption of CO ₂ on flat, stepped, and kinked Cu surfaces
journal, July 2014

Muttaqien, Fahdzi
The Journal of Chemical Physics, Vol. 141, Issue 3
DOI: 10.1063/1.4887362

CO ₂ conversion by reverse water gas shift catalysis: comparison of catalysts, mechanisms and their consequences for CO ₂ conversion to liquid fuels
journal, January 2016

Daza, Yolanda A.; Kuhn, John N.
RSC Advances, Vol. 6, Issue 55
DOI: 10.1039/C6RA05414E

Carbon dioxide coordination chemistry: metal complexes and surface-bound species. What relationships?
journal, May 1999

Gibson, Dorothy H.
Coordination Chemistry Reviews, Vol. 185-186
DOI: 10.1016/S0010-8545(99)00021-1

Effect of titania structure on the properties of its supported copper oxide catalysts
journal, May 2011

Zhu, Haiyang; Dong, Lin; Chen, Yi
Journal of Colloid and Interface Science, Vol. 357, Issue 2
DOI: 10.1016/j.jcis.2011.02.012

Raman spectra of CuO nanocrystals
journal, May 1999

Xu, J. F.; Ji, W.; Shen, Z. X.
Journal of Raman Spectroscopy, Vol. 30, Issue 5
DOI: 10.1002/(SICI)1097-4555(199905)30:5<413::AID-JRS387>3.0.CO;2-N

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
DOI: 10.1163/156856795X00170

Dissociative Carbon Dioxide Adsorption and Morphological Changes on Cu(100) and Cu(111) at Ambient Pressures
journal, June 2016

Eren, Baran; Weatherup, Robert S.; Liakakos, Nikos
Journal of the American Chemical Society, Vol. 138, Issue 26
DOI: 10.1021/jacs.6b04039

In SituInfrared Study of Methanol Synthesis from CO2/H2on Titania and Zirconia Promoted Cu/SiO2
journal, May 1999

Schilke, Tobin C.; Fisher, Ian A.; Bell, Alexis T.
Journal of Catalysis, Vol. 184, Issue 1
DOI: 10.1006/jcat.1999.2434

Thermal analysis of catalyst precursors
journal, February 1991

Bond, Geoffrey C.; Namijo, Stephen N.; Wakeman, John S.
Journal of Molecular Catalysis, Vol. 64, Issue 3
DOI: 10.1016/0304-5102(91)85140-W

Artificial Photosynthesis over Crystalline TiO ₂ -Based Catalysts: Fact or Fiction?
journal, June 2010

Yang, Chieh-Chao; Yu, Yi-Hui; van der Linden, Bart
Journal of the American Chemical Society, Vol. 132, Issue 24
DOI: 10.1021/ja101318k

Photocatalytic Reduction of CO2 over Cu-TiO2/Molecular Sieve 5A Composite: Photochemistry and Photobiology
journal, July 2011

Srinivas, Basavaraju; Shubhamangala, Ballamoole; Lalitha, Kannekanti
Photochemistry and Photobiology, Vol. 87, Issue 5
DOI: 10.1111/j.1751-1097.2011.00946.x

Tailoring Cu valence and oxygen vacancy in Cu/TiO2 catalysts for enhanced CO2 photoreduction efficiency
journal, May 2013

Liu, Lianjun; Gao, Fei; Zhao, Huilei
Applied Catalysis B: Environmental, Vol. 134-135
DOI: 10.1016/j.apcatb.2013.01.040

Tuning Selectivity in Propylene Epoxidation by Plasmon Mediated Photo-Switching of Cu Oxidation State
journal, March 2013

Marimuthu, A.; Zhang, J.; Linic, S.
Science, Vol. 339, Issue 6127, p. 1590-1593
DOI: 10.1126/science.1231631

Does CO ₂ dissociatively adsorb on Cu surfaces?
journal, October 1989

Nakamura, J.; Rodriguez, J. A.; Campbell, C. T.
Journal of Physics: Condensed Matter, Vol. 1, Issue SB
DOI: 10.1088/0953-8984/1/SB/026

The role of metal–support interactions in CO2 reforming of CH4
journal, April 1999

Bradford, Michael C. J.; Albert Vannice, M.
Catalysis Today, Vol. 50, Issue 1
DOI: 10.1016/S0920-5861(98)00465-9

On the impact of Cu dispersion on CO2 photoreduction over Cu/TiO2
journal, August 2012

Liu, Dong; Fernández, Yolanda; Ola, Oluwafunmilola
Catalysis Communications, Vol. 25
DOI: 10.1016/j.catcom.2012.03.025

Vibrational Spectroscopy of Oxide Overlayers
journal, August 2017

Strunk, Jennifer; Bañares, Miguel A.; Wachs, Israel E.
Topics in Catalysis, Vol. 60, Issue 19-20
DOI: 10.1007/s11244-017-0841-x

Photoreduction of CO2 using sol–gel derived titania and titania-supported copper catalysts
journal, April 2002

Tseng, I-Hsiang; Chang, Wan-Chen; Wu, Jeffrey C. S.
Applied Catalysis B: Environmental, Vol. 37, Issue 1
DOI: 10.1016/S0926-3373(01)00322-8

Surface Phases of TiO ₂ Nanoparticles Studied by UV Raman Spectroscopy and FT-IR Spectroscopy
journal, April 2008

Su, Weiguang; Zhang, Jing; Feng, Zhaochi
The Journal of Physical Chemistry C, Vol. 112, Issue 20
DOI: 10.1021/jp7118422

FTIR and NMR Study of the Adsorbed Water on Nanocrystalline Anatase
journal, July 2007

Soria, Javier; Sanz, Jesús; Sobrados, Isabel
The Journal of Physical Chemistry C, Vol. 111, Issue 28
DOI: 10.1021/jp071440g

Hydrothermal synthesis of defective TiO ₂ nanoparticles for long-wavelength visible light-photocatalytic killing of cancer cells
journal, January 2015

Lee, Jooran; Lee, Young Hwa; Choi, Joon Sig
RSC Advances, Vol. 5, Issue 121
DOI: 10.1039/C5RA19045B

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
DOI: 10.1126/science.1253057

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
DOI: 10.1016/S0926-860X(97)00221-4

Synthesis of high-energy anatase nanorods via an intermediate nanotube morphology
journal, September 2012

Finkelstein-Shapiro, Daniel; Tsai, Charlie Y. -H.; Li, Shuyou
Chemical Physics Letters, Vol. 546
DOI: 10.1016/j.cplett.2012.07.039

XPS studies of strong metal-support interactions (SMSI)?Pt/TiO2
journal, July 1982

Fung, S.
Journal of Catalysis, Vol. 76, Issue 1
DOI: 10.1016/0021-9517(82)90251-2

Dynamical Observation and Detailed Description of Catalysts under Strong Metal–Support Interaction
journal, June 2016

Zhang, Shuyi; Plessow, Philipp N.; Willis, Joshua J.
Nano Letters, Vol. 16, Issue 7
DOI: 10.1021/acs.nanolett.6b01769

The Water-Gas Shift Reaction
journal, January 1980

Newsome, David S.
Catalysis Reviews, Vol. 21, Issue 2, p. 275-318
DOI: 10.1080/03602458008067535

Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994

Kresse, G.; Hafner, J.
Physical Review B, Vol. 49, Issue 20, p. 14251-14269
DOI: 10.1103/PhysRevB.49.14251

Effect of Calcination Temperature on the Photocatalytic Reduction and Oxidation Processes of Hydrothermally Synthesized Titania Nanotubes
journal, July 2010

Vijayan, Baiju; Dimitrijevic, Nada M.; Rajh, Tijana
The Journal of Physical Chemistry C, Vol. 114, Issue 30
DOI: 10.1021/jp104345h

Raman Investigation of Nanosized TiO ₂ : Effect of Crystallite Size and Quantum Confinement
journal, April 2012

Xue, Xiangxin; Ji, Wei; Mao, Zhu
The Journal of Physical Chemistry C, Vol. 116, Issue 15
DOI: 10.1021/jp2122196

Influence of CuO loading on dispersion and reduction behavior of CuO/TiO2 (anatase) system
journal, January 1998

Xu, Bin; Dong, Lin; Chen, Yi
Journal of the Chemical Society, Faraday Transactions, Vol. 94, Issue 13
DOI: 10.1039/a801603h

Band theory and Mott insulators: Hubbard U instead of Stoner I
journal, July 1991

Anisimov, Vladimir I.; Zaanen, Jan; Andersen, Ole K.
Physical Review B, Vol. 44, Issue 3, p. 943-954
DOI: 10.1103/PhysRevB.44.943

Solvent-free synthesis of Cu-Cu2O nanocomposites via green thermal decomposition route using novel precursor and investigation of its photocatalytic activity
journal, September 2017

Mousavi-Kamazani, Mehdi; Zarghami, Zabihullah; Rahmatolahzadeh, Reza
Advanced Powder Technology, Vol. 28, Issue 9
DOI: 10.1016/j.apt.2017.05.014

Gold–Copper Nanoalloys Supported on TiO ₂ as Photocatalysts for CO ₂ Reduction by Water
journal, October 2014

Neaţu, Ştefan; Maciá-Agulló, Juan Antonio; Concepción, Patricia
Journal of the American Chemical Society, Vol. 136, Issue 45
DOI: 10.1021/ja506433k

Infrared spectroscopic identification of species arising from reactive adsorption of carbon oxides on metal oxide surfaces
journal, January 1982

Busca, G.; Lorenzelli, V.
Materials Chemistry, Vol. 7, Issue 1
DOI: 10.1016/0390-6035(82)90059-1

Dimer reconstruction and electronic surface states on clean and hydrogenated diamond (100) surfaces
journal, March 1996

Furthmüller, J.; Hafner, J.; Kresse, G.
Physical Review B, Vol. 53, Issue 11
DOI: 10.1103/PhysRevB.53.7334

Classical strong metal–support interactions between gold nanoparticles and titanium dioxide
journal, October 2017

Tang, Hailian; Su, Yang; Zhang, Bingsen
Science Advances, Vol. 3, Issue 10
DOI: 10.1126/sciadv.1700231

Imaging Cluster Surfaces with Atomic Resolution: The Strong Metal-Support Interaction State of Pt Supported on ${TiO}_{2} (110)$
journal, April 2000

Dulub, Olga; Hebenstreit, Wilhelm; Diebold, Ulrike
Physical Review Letters, Vol. 84, Issue 16
DOI: 10.1103/PhysRevLett.84.3646

IR Spectroscopy of Surface Water and Hydroxyl Species on Nanocrystalline TiO ₂ Films
journal, February 2001

Finnie, Kim S.; Cassidy, David J.; Bartlett, John R.
Langmuir, Vol. 17, Issue 3
DOI: 10.1021/la0009240

Photoinduced Reactions of Surface-Bound Species on Titania Nanotubes and Platinized Titania Nanotubes: An in Situ FTIR Study
journal, September 2013

Wu, Weiqiang; Bhattacharyya, Kaustava; Gray, Kimberly
The Journal of Physical Chemistry C, Vol. 117, Issue 40
DOI: 10.1021/jp405902a

Surface Reconstruction and Catalysis
journal, October 1994

Somorjai, G. A.
Annual Review of Physical Chemistry, Vol. 45, Issue 1
DOI: 10.1146/annurev.pc.45.100194.003445

Hybrid CuO-TiO2−xNx Hollow Nanocubes for Photocatalytic Conversion of CO2 into Methane under Solar Irradiation
journal, March 2012

In, Su-Il; Vaughn, Dimitri D.; Schaak, Raymond E.
Angewandte Chemie International Edition, Vol. 51, Issue 16
DOI: 10.1002/anie.201108936

Role of the Surface Lewis Acid and Base Sites in the Adsorption of CO ₂ on Titania Nanotubes and Platinized Titania Nanotubes: An in Situ FT-IR Study
journal, June 2013

Bhattacharyya, Kaustava; Danon, Alon; K. Vijayan, Baiju
The Journal of Physical Chemistry C, Vol. 117, Issue 24
DOI: 10.1021/jp402979m

Strong Interactions in Supported-Metal Catalysts
journal, March 1981

Tauster, S. J.; Fung, S. C.; Baker, R. T. K.
Science, Vol. 211, Issue 4487, p. 1121-1125
DOI: 10.1126/science.211.4487.1121

Hydrogenation of CO2 to value-added products—A review and potential future developments
journal, March 2014

Saeidi, Samrand; Amin, Nor Aishah Saidina; Rahimpour, Mohammad Reza
Journal of CO2 Utilization, Vol. 5
DOI: 10.1016/j.jcou.2013.12.005

Heats of Chemisorption of O ₂ , H ₂ , CO, CO ₂ , and N ₂ on Polycrystalline and Single Crystal Transition Metal Surfaces
journal, January 1979

Toyoshima, I.; Somorjai, G. A.
Catalysis Reviews, Vol. 19, Issue 1
DOI: 10.1080/03602457908065102

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
DOI: 10.1039/c3ee00056g

Effects of sol–gel procedures on the photocatalysis of Cu/TiO₂ in CO₂ photoreduction
journal, January 2004

Tseng, I-Hsiang; Wu, Jeffrey C. S.; Chou, Hsin-Ying
Journal of Catalysis, Vol. 221, Issue 2, p. 432-440
DOI: 10.1016/j.jcat.2003.09.002

Photocatalytic reduction of CO2 with H2O on TiO2 and Cu/TiO2 catalysts
journal, January 1994

Yamashita, H.; Nishiguchi, H.; Kamada, N.
Research on Chemical Intermediates, Vol. 20, Issue 8
DOI: 10.1163/156856794X00568

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
DOI: 10.1021/cs200055d

Evolution of H2 photoproduction with Cu content on CuO -TiO2 composite catalysts prepared by a microemulsion method
journal, February 2015

Kubacka, A.; Muñoz-Batista, M. J.; Fernández-García, M.
Applied Catalysis B: Environmental, Vol. 163
DOI: 10.1016/j.apcatb.2014.08.005

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In this paper we combined density functional theory (DFT), kinetic Monte Carlo (KMC) simulations and experimental measurements to gain insight into the mechanisms of CO₂ conversion by hydrogen on the Pt nanoparticle (NP). The results show that in spite of the presence of active, low-coordinated sites, Pt NP alone is not able to catalyze the reaction due to the weak CO₂ binding on the catalyst. Once CO₂ is stabilized, the hydrogenation of CO₂ to CO via the reverse-water–gas shift (RWGS) reaction is promoted; in contrast, the enhancement for further *CO hydrogenation to CH₄ is less significant and no CH₃OH ismore »« less
Cited by 210
https://doi.org/10.1016/j.jcat.2015.12.019

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A Theoretical Insight into the Catalytic Effect of a Mixed-Metal Oxide at the Nanometer Level: The Case of the Highly Active metal/CeOx/TiO2 (110) Catalysts

Journal Article Rodriguez, J A ; Graciani, J ; Plata, J J ; ... - Journal of Chemical Physics

The structural and electronic properties of CeO{sub x} species supported on the rutile TiO{sub 2}(110) surface have been examined by means of periodic density-functional calculations that use a generalized gradient approximation functional including a Hubbard-like type correction. Deposition of Ce atoms leads in a first step to Ce{sup 3+} ions bound to the surface through bridge and in-plane oxygen atoms, the released electrons occupying the Ti 3d empty orbitals. Further addition of Ce and molecular oxygen gives place to Ce{sub 2}O{sub 3} dimers diagonally arranged on the surface, in agreement with the spots observed in the scanning tunnel microscope images.more »« less

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Title: Role of surface reconstruction on Cu/TiO2 nanotubes for CO2 conversion

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Citation Formats

Generalized Gradient Approximation Made Simple journal, October 1996

Catalytic reduction of nitrate in water over Pd–Cu/TiO2 catalyst: Effect of the strong metal-support interaction (SMSI) on the catalytic activity journal, October 2013

Evidence for Copper Dimers in Low-Loaded CuO x /SiO 2 Catalysts for Cyclohexane Oxidative Dehydrogenation journal, September 2018

States of H2O adsorbed on oxides: An investigation by near and mid infrared spectroscopy journal, June 2006

Projector augmented-wave method journal, December 1994

Characterization of species adsorbed on oxidized and reduced anatase journal, November 1982

Evidence of Charge Transfer to Atomic and Molecular Adsorbates on ZnO/X(111) (X = Cu, Ag, Au) Ultrathin Films. Relevance for Cu/ZnO Catalysts journal, April 2018

Acidic properties of alumina-supported metal oxide catalysts: an infrared spectroscopy study journal, June 1992

Photocatalytic conversion of CH4 and CO2 to oxygenated compounds over Cu/CdS–TiO2/SiO2 catalyst journal, December 2004

The Mechanism of CO and CO 2 Hydrogenation to Methanol over Cu-Based Catalysts journal, March 2015

From ultrasoft pseudopotentials to the projector augmented-wave method journal, January 1999

Cyclohexane oxidative dehydrogenation over copper oxide catalysts journal, September 2016

Comparison of Metal-Support Interactions in Pt/TiO2 and Pt/CeO2 journal, August 1995

Adsorbate-mediated strong metal–support interactions in oxide-supported Rh catalysts journal, September 2016

The effect of SMSI (strong metal-support interaction) behavior on CO adsorption and hydrogenation on Pd catalysts I. IR spectra of adsorbed CO prior to and during reaction conditions journal, September 1981

On the activation energies of the forward and reverse water-gas shift reaction journal, January 1995

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study journal, January 1998

Dissociative adsorption of CO 2 on flat, stepped, and kinked Cu surfaces journal, July 2014

CO 2 conversion by reverse water gas shift catalysis: comparison of catalysts, mechanisms and their consequences for CO 2 conversion to liquid fuels journal, January 2016

Carbon dioxide coordination chemistry: metal complexes and surface-bound species. What relationships? journal, May 1999

Effect of titania structure on the properties of its supported copper oxide catalysts journal, May 2011

Raman spectra of CuO nanocrystals journal, May 1999

Effect of supports on copper Catalysts for Methanol Synthesis from CO2 + H2 journal, January 1995

Dissociative Carbon Dioxide Adsorption and Morphological Changes on Cu(100) and Cu(111) at Ambient Pressures journal, June 2016

In SituInfrared Study of Methanol Synthesis from CO2/H2on Titania and Zirconia Promoted Cu/SiO2 journal, May 1999

Thermal analysis of catalyst precursors journal, February 1991

Artificial Photosynthesis over Crystalline TiO 2 -Based Catalysts: Fact or Fiction? journal, June 2010

Photocatalytic Reduction of CO2 over Cu-TiO2/Molecular Sieve 5A Composite: Photochemistry and Photobiology journal, July 2011

Tailoring Cu valence and oxygen vacancy in Cu/TiO2 catalysts for enhanced CO2 photoreduction efficiency journal, May 2013

Tuning Selectivity in Propylene Epoxidation by Plasmon Mediated Photo-Switching of Cu Oxidation State journal, March 2013

Does CO 2 dissociatively adsorb on Cu surfaces? journal, October 1989

The role of metal–support interactions in CO2 reforming of CH4 journal, April 1999

On the impact of Cu dispersion on CO2 photoreduction over Cu/TiO2 journal, August 2012

Vibrational Spectroscopy of Oxide Overlayers journal, August 2017

Photoreduction of CO2 using sol–gel derived titania and titania-supported copper catalysts journal, April 2002

Surface Phases of TiO 2 Nanoparticles Studied by UV Raman Spectroscopy and FT-IR Spectroscopy journal, April 2008

FTIR and NMR Study of the Adsorbed Water on Nanocrystalline Anatase journal, July 2007

Hydrothermal synthesis of defective TiO 2 nanoparticles for long-wavelength visible light-photocatalytic killing of cancer cells journal, January 2015

Highly active copper-ceria and copper-ceria-titania catalysts for methanol synthesis from CO2 journal, July 2014

In-situ FT-IR study on CO2 hydrogenation over Cu catalysts supported on SiO2, Al2O3, and TiO2 journal, December 1997

Synthesis of high-energy anatase nanorods via an intermediate nanotube morphology journal, September 2012

XPS studies of strong metal-support interactions (SMSI)?Pt/TiO2 journal, July 1982

Dynamical Observation and Detailed Description of Catalysts under Strong Metal–Support Interaction journal, June 2016

The Water-Gas Shift Reaction journal, January 1980

Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium journal, May 1994

Effect of Calcination Temperature on the Photocatalytic Reduction and Oxidation Processes of Hydrothermally Synthesized Titania Nanotubes journal, July 2010

Raman Investigation of Nanosized TiO 2 : Effect of Crystallite Size and Quantum Confinement journal, April 2012

Influence of CuO loading on dispersion and reduction behavior of CuO/TiO2 (anatase) system journal, January 1998

Band theory and Mott insulators: Hubbard U instead of Stoner I journal, July 1991

Solvent-free synthesis of Cu-Cu2O nanocomposites via green thermal decomposition route using novel precursor and investigation of its photocatalytic activity journal, September 2017

Gold–Copper Nanoalloys Supported on TiO 2 as Photocatalysts for CO 2 Reduction by Water journal, October 2014

Infrared spectroscopic identification of species arising from reactive adsorption of carbon oxides on metal oxide surfaces journal, January 1982

Dimer reconstruction and electronic surface states on clean and hydrogenated diamond (100) surfaces journal, March 1996

Classical strong metal–support interactions between gold nanoparticles and titanium dioxide journal, October 2017

Imaging Cluster Surfaces with Atomic Resolution: The Strong Metal-Support Interaction State of Pt Supported on TiO 2 ( 110 ) journal, April 2000

IR Spectroscopy of Surface Water and Hydroxyl Species on Nanocrystalline TiO 2 Films journal, February 2001

Photoinduced Reactions of Surface-Bound Species on Titania Nanotubes and Platinized Titania Nanotubes: An in Situ FTIR Study journal, September 2013

Surface Reconstruction and Catalysis journal, October 1994

Hybrid CuO-TiO2−xNx Hollow Nanocubes for Photocatalytic Conversion of CO2 into Methane under Solar Irradiation journal, March 2012

Role of the Surface Lewis Acid and Base Sites in the Adsorption of CO 2 on Titania Nanotubes and Platinized Titania Nanotubes: An in Situ FT-IR Study journal, June 2013

Strong Interactions in Supported-Metal Catalysts journal, March 1981

Hydrogenation of CO2 to value-added products—A review and potential future developments journal, March 2014

Heats of Chemisorption of O 2 , H 2 , CO, CO 2 , and N 2 on Polycrystalline and Single Crystal Transition Metal Surfaces journal, January 1979

Catalysis for CO2 conversion: a key technology for rapid introduction of renewable energy in the value chain of chemical industries journal, January 2013

Effects of sol–gel procedures on the photocatalysis of Cu/TiO2 in CO2 photoreduction journal, January 2004

Photocatalytic reduction of CO2 with H2O on TiO2 and Cu/TiO2 catalysts journal, January 1994

Mechanism of Methanol Synthesis on Cu through CO 2 and CO Hydrogenation journal, February 2011

Evolution of H2 photoproduction with Cu content on CuO -TiO2 composite catalysts prepared by a microemulsion method journal, February 2015

Title: Role of surface reconstruction on Cu/TiO₂ nanotubes for CO₂ conversion

Generalized Gradient Approximation Made Simple
journal, October 1996

Catalytic reduction of nitrate in water over Pd–Cu/TiO2 catalyst: Effect of the strong metal-support interaction (SMSI) on the catalytic activity
journal, October 2013

Evidence for Copper Dimers in Low-Loaded CuO _x /SiO ₂ Catalysts for Cyclohexane Oxidative Dehydrogenation
journal, September 2018

States of H2O adsorbed on oxides: An investigation by near and mid infrared spectroscopy
journal, June 2006

Projector augmented-wave method
journal, December 1994

Characterization of species adsorbed on oxidized and reduced anatase
journal, November 1982

Evidence of Charge Transfer to Atomic and Molecular Adsorbates on ZnO/X(111) (X = Cu, Ag, Au) Ultrathin Films. Relevance for Cu/ZnO Catalysts
journal, April 2018

Acidic properties of alumina-supported metal oxide catalysts: an infrared spectroscopy study
journal, June 1992

Photocatalytic conversion of CH₄ and CO₂ to oxygenated compounds over Cu/CdS–TiO₂/SiO₂ catalyst
journal, December 2004

The Mechanism of CO and CO ₂ Hydrogenation to Methanol over Cu-Based Catalysts
journal, March 2015

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Cyclohexane oxidative dehydrogenation over copper oxide catalysts
journal, September 2016

Comparison of Metal-Support Interactions in Pt/TiO2 and Pt/CeO2
journal, August 1995

Adsorbate-mediated strong metal–support interactions in oxide-supported Rh catalysts
journal, September 2016

The effect of SMSI (strong metal-support interaction) behavior on CO adsorption and hydrogenation on Pd catalysts I. IR spectra of adsorbed CO prior to and during reaction conditions
journal, September 1981

On the activation energies of the forward and reverse water-gas shift reaction
journal, January 1995

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998

Dissociative adsorption of CO ₂ on flat, stepped, and kinked Cu surfaces
journal, July 2014

CO ₂ conversion by reverse water gas shift catalysis: comparison of catalysts, mechanisms and their consequences for CO ₂ conversion to liquid fuels
journal, January 2016

Carbon dioxide coordination chemistry: metal complexes and surface-bound species. What relationships?
journal, May 1999

Effect of titania structure on the properties of its supported copper oxide catalysts
journal, May 2011

Raman spectra of CuO nanocrystals
journal, May 1999

Effect of supports on copper Catalysts for Methanol Synthesis from CO2 + H2
journal, January 1995

Dissociative Carbon Dioxide Adsorption and Morphological Changes on Cu(100) and Cu(111) at Ambient Pressures
journal, June 2016

In SituInfrared Study of Methanol Synthesis from CO2/H2on Titania and Zirconia Promoted Cu/SiO2
journal, May 1999

Thermal analysis of catalyst precursors
journal, February 1991

Artificial Photosynthesis over Crystalline TiO ₂ -Based Catalysts: Fact or Fiction?
journal, June 2010

Photocatalytic Reduction of CO2 over Cu-TiO2/Molecular Sieve 5A Composite: Photochemistry and Photobiology
journal, July 2011

Tailoring Cu valence and oxygen vacancy in Cu/TiO2 catalysts for enhanced CO2 photoreduction efficiency
journal, May 2013

Tuning Selectivity in Propylene Epoxidation by Plasmon Mediated Photo-Switching of Cu Oxidation State
journal, March 2013

Does CO ₂ dissociatively adsorb on Cu surfaces?
journal, October 1989

The role of metal–support interactions in CO2 reforming of CH4
journal, April 1999

On the impact of Cu dispersion on CO2 photoreduction over Cu/TiO2
journal, August 2012

Vibrational Spectroscopy of Oxide Overlayers
journal, August 2017

Photoreduction of CO2 using sol–gel derived titania and titania-supported copper catalysts
journal, April 2002

Surface Phases of TiO ₂ Nanoparticles Studied by UV Raman Spectroscopy and FT-IR Spectroscopy
journal, April 2008

FTIR and NMR Study of the Adsorbed Water on Nanocrystalline Anatase
journal, July 2007

Hydrothermal synthesis of defective TiO ₂ nanoparticles for long-wavelength visible light-photocatalytic killing of cancer cells
journal, January 2015

Highly active copper-ceria and copper-ceria-titania catalysts for methanol synthesis from CO2
journal, July 2014

In-situ FT-IR study on CO2 hydrogenation over Cu catalysts supported on SiO2, Al2O3, and TiO2
journal, December 1997

Synthesis of high-energy anatase nanorods via an intermediate nanotube morphology
journal, September 2012

XPS studies of strong metal-support interactions (SMSI)?Pt/TiO2
journal, July 1982

Dynamical Observation and Detailed Description of Catalysts under Strong Metal–Support Interaction
journal, June 2016

The Water-Gas Shift Reaction
journal, January 1980

Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994

Effect of Calcination Temperature on the Photocatalytic Reduction and Oxidation Processes of Hydrothermally Synthesized Titania Nanotubes
journal, July 2010

Raman Investigation of Nanosized TiO ₂ : Effect of Crystallite Size and Quantum Confinement
journal, April 2012

Influence of CuO loading on dispersion and reduction behavior of CuO/TiO2 (anatase) system
journal, January 1998

Band theory and Mott insulators: Hubbard U instead of Stoner I
journal, July 1991

Solvent-free synthesis of Cu-Cu2O nanocomposites via green thermal decomposition route using novel precursor and investigation of its photocatalytic activity
journal, September 2017

Gold–Copper Nanoalloys Supported on TiO ₂ as Photocatalysts for CO ₂ Reduction by Water
journal, October 2014

Infrared spectroscopic identification of species arising from reactive adsorption of carbon oxides on metal oxide surfaces
journal, January 1982

Dimer reconstruction and electronic surface states on clean and hydrogenated diamond (100) surfaces
journal, March 1996

Classical strong metal–support interactions between gold nanoparticles and titanium dioxide
journal, October 2017

Imaging Cluster Surfaces with Atomic Resolution: The Strong Metal-Support Interaction State of Pt Supported on ${TiO}_{2} (110)$
journal, April 2000

IR Spectroscopy of Surface Water and Hydroxyl Species on Nanocrystalline TiO ₂ Films
journal, February 2001

Photoinduced Reactions of Surface-Bound Species on Titania Nanotubes and Platinized Titania Nanotubes: An in Situ FTIR Study
journal, September 2013

Surface Reconstruction and Catalysis
journal, October 1994

Hybrid CuO-TiO2−xNx Hollow Nanocubes for Photocatalytic Conversion of CO2 into Methane under Solar Irradiation
journal, March 2012

Role of the Surface Lewis Acid and Base Sites in the Adsorption of CO ₂ on Titania Nanotubes and Platinized Titania Nanotubes: An in Situ FT-IR Study
journal, June 2013

Strong Interactions in Supported-Metal Catalysts
journal, March 1981

Hydrogenation of CO2 to value-added products—A review and potential future developments
journal, March 2014

Heats of Chemisorption of O ₂ , H ₂ , CO, CO ₂ , and N ₂ on Polycrystalline and Single Crystal Transition Metal Surfaces
journal, January 1979

Catalysis for CO2 conversion: a key technology for rapid introduction of renewable energy in the value chain of chemical industries
journal, January 2013

Effects of sol–gel procedures on the photocatalysis of Cu/TiO₂ in CO₂ photoreduction
journal, January 2004

Photocatalytic reduction of CO2 with H2O on TiO2 and Cu/TiO2 catalysts
journal, January 1994

Mechanism of Methanol Synthesis on Cu through CO ₂ and CO Hydrogenation
journal, February 2011

Evolution of H2 photoproduction with Cu content on CuO -TiO2 composite catalysts prepared by a microemulsion method
journal, February 2015