Probing the surface chemistry for reverse water gas shift reaction on Pt(1 1 1) using ambient pressure X-ray photoelectron spectroscopy

Su, Hongyang; Ye, Yifan; Lee, Kyung-Jae; Zeng, Jie; Mun, Bongjin S.; Crumlin, Ethan J.

doi:10.1016/j.jcat.2020.08.017

Title: Probing the surface chemistry for reverse water gas shift reaction on Pt(1 1 1) using ambient pressure X-ray photoelectron spectroscopy

Abstract

Using ambient pressure XPS (APXPS), we explored carbon dioxide (CO₂) adsorption and CO₂ hydrogenation on Pt(1 1 1) single crystal surface to observe the activation of CO₂ and the subsequent reaction mechanism. In pure CO₂, we observed CO adsorbates and adsorbed oxygen on Pt(1 1 1) derived from CO₂ dissociation at room temperature. The introduction of H₂ (at a pressure ratio of 1:1 (H₂:CO₂)) increased the production of CO across all temperatures by facilitating the removal of surface oxygen. As a consequence, the surface could expose sites that could then be utilized for producing CO. Under these conditions, the reverse water–gas shift (RWGS) reaction was observed starting at 300 °C. At higher H₂ partial pressure (10:1 (H₂:CO₂)), the RWGS reaction initiated at a lower temperature of 200 °C and continued to enhance the conversion of CO₂ with increasing temperatures. Our results revealed that CO₂ was activated on a clean Pt(1 1 1) surface through the dissociation mechanism to form adsorbed CO and O at room temperature and at elevated temperatures. Introducing H₂ facilitated the RWGS as adsorbed oxygen was consumed continuously to form H₂O, and adsorbed CO desorbed from the surface at elevated temperatures. This work clearly provides direct experimentalmore »« less

Authors:

Su, Hongyang ^[1]; Ye, Yifan ^[2]; Lee, Kyung-Jae ^[3]; Zeng, Jie ^[4]; Mun, Bongjin S. ^[5];

^[2]

Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of Science and Technology of China, Hefei (China)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Gwangju Inst. of Science and Technology (Korea, Republic of)
Univ. of Science and Technology of China, Hefei (China)
Gwangju Inst. of Science and Technology (Korea, Republic of)

Publication Date:: Wed Aug 19 00:00:00 EDT 2020

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of Science and Technology of China, Hefei (China)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES); China Scholarship Council (CSC)

OSTI Identifier:: 1841566

Alternate Identifier(s):: OSTI ID: 1761540; OSTI ID: 1841714

Grant/Contract Number:: AC02-05CH11231; 201706340112

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Catalysis

Additional Journal Information:: Journal Volume: 391; Journal ID: ISSN 0021-9517

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; ambient pressure x-ray photoelectron; spectroscopy; surface catalysis; reverse water gas shift reaction; RWGS; APXPS; CO2 hydrogenation

Citation Formats


                    Su, Hongyang, Ye, Yifan, Lee, Kyung-Jae, Zeng, Jie, Mun, Bongjin S., and Crumlin, Ethan J. Probing the surface chemistry for reverse water gas shift reaction on Pt(1 1 1) using ambient pressure X-ray photoelectron spectroscopy.  United States: N. p., 2020. 
Web.  doi:10.1016/j.jcat.2020.08.017.

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                    Su, Hongyang, Ye, Yifan, Lee, Kyung-Jae, Zeng, Jie, Mun, Bongjin S., & Crumlin, Ethan J. Probing the surface chemistry for reverse water gas shift reaction on Pt(1 1 1) using ambient pressure X-ray photoelectron spectroscopy.  United States.  https://doi.org/10.1016/j.jcat.2020.08.017

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                    Su, Hongyang, Ye, Yifan, Lee, Kyung-Jae, Zeng, Jie, Mun, Bongjin S., and Crumlin, Ethan J. Wed .  
"Probing the surface chemistry for reverse water gas shift reaction on Pt(1 1 1) using ambient pressure X-ray photoelectron spectroscopy".  United States.  https://doi.org/10.1016/j.jcat.2020.08.017.  https://www.osti.gov/servlets/purl/1841566.

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@article{osti_1841566,

  title        = {Probing the surface chemistry for reverse water gas shift reaction on Pt(1 1 1) using ambient pressure X-ray photoelectron spectroscopy},

  author       = {Su, Hongyang and Ye, Yifan and Lee, Kyung-Jae and Zeng, Jie and Mun, Bongjin S. and Crumlin, Ethan J.},

  abstractNote = {Using ambient pressure XPS (APXPS), we explored carbon dioxide (CO2) adsorption and CO2 hydrogenation on Pt(1 1 1) single crystal surface to observe the activation of CO2 and the subsequent reaction mechanism. In pure CO2, we observed CO adsorbates and adsorbed oxygen on Pt(1 1 1) derived from CO2 dissociation at room temperature. The introduction of H2 (at a pressure ratio of 1:1 (H2:CO2)) increased the production of CO across all temperatures by facilitating the removal of surface oxygen. As a consequence, the surface could expose sites that could then be utilized for producing CO. Under these conditions, the reverse water–gas shift (RWGS) reaction was observed starting at 300 °C. At higher H2 partial pressure (10:1 (H2:CO2)), the RWGS reaction initiated at a lower temperature of 200 °C and continued to enhance the conversion of CO2 with increasing temperatures. Our results revealed that CO2 was activated on a clean Pt(1 1 1) surface through the dissociation mechanism to form adsorbed CO and O at room temperature and at elevated temperatures. Introducing H2 facilitated the RWGS as adsorbed oxygen was consumed continuously to form H2O, and adsorbed CO desorbed from the surface at elevated temperatures. This work clearly provides direct experimental evidence for the surface chemistry of CO2 dissociation and demonstrates how hydrogen impacts the RWGS reaction on a platinum surface.},

  doi          = {10.1016/j.jcat.2020.08.017},

  journal      = {Journal of Catalysis},

  number       = ,

  volume       = 391,

  place        = {United States},

  year         = {Wed Aug 19 00:00:00 EDT 2020},

  month        = {Wed Aug 19 00:00:00 EDT 2020}

}

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Title: Probing the surface chemistry for reverse water gas shift reaction on Pt(1 1 1) using ambient pressure X-ray photoelectron spectroscopy

Abstract

Citation Formats

Trends in the catalytic reduction of CO2 by hydrogen over supported monometallic and bimetallic catalysts journal, May 2013

A high-pressure-induced dense CO overlayer on a Pt(111) surface: a chemical analysis using in situ near ambient pressure XPS journal, January 2014

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Hydrogen-induced CO displacement from the Pt(111) surface: an isothermal kinetic study journal, November 1991

2 π / e m p h > resonance features in the electronic spectra of chemisorbed CO journal, May 1988

Catalytic reduction of CO 2 by H 2 for synthesis of CO, methanol and hydrocarbons: challenges and opportunities journal, January 2016

CO adsorption and dissociation on Ru(0001) at elevated pressures journal, February 2013

Tuning Selectivity of CO 2 Hydrogenation Reactions at the Metal/Oxide Interface journal, July 2017

Reaction-Driven Restructuring of Rh-Pd and Pt-Pd Core-Shell Nanoparticles journal, November 2008

Sputtering deposition, XPS and X-ray diffraction characterization of oxygen-platinum compounds journal, April 1979

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Adsorbate line shapes and multiple lines in XPS; comparison of theory and experiment journal, July 1978

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Formation of hydroxyl and water layers on MgO films studied with ambient pressure XPS journal, January 2011

Mechanistic Insights into CO 2 Activation via Reverse Water–Gas Shift on Metal Surfaces journal, February 2015

Theoretical Investigation of CO 2 Adsorption and Dissociation on Low Index Surfaces of Transition Metals journal, March 2018

Identification of active sites in CO oxidation and water-gas shift over supported Pt catalysts journal, September 2015

Selective conversion of syngas to light olefins journal, March 2016

CO2 hydrogenation on Pt, Pt/SiO2 and Pt/TiO2: Importance of synergy between Pt and oxide support journal, November 2016

Structure and Bonding of the Water−Hydroxyl Mixed Phase on Pt(111) journal, September 2007

Spectrokinetic Investigation of Reverse Water-Gas-Shift Reaction Intermediates over a Pt/CeO 2 Catalyst journal, December 2004

XPS observation of surface interaction between H2 and CO2 on platinum foil journal, December 1995

Recent advances in catalytic hydrogenation of carbon dioxide journal, January 2011

Sequential precursors in dissociative chemisorption: O 2 on Pt(111) journal, June 1989

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

CO-Coverage-Dependent Oxygen Dissociation on Pt(111) Surface journal, December 2008

Characterizing Graphitic Carbon with X-ray Photoelectron Spectroscopy: A Step-by-Step Approach journal, July 2015

Adsorbate-driven reactive interfacial Pt-NiO 1− x nanostructure formation on the Pt 3 Ni(111) alloy surface journal, July 2018

A New Type of Strong Metal–Support Interaction and the Production of H 2 through the Transformation of Water on Pt/CeO 2 (111) and Pt/CeO x /TiO 2 (110) Catalysts journal, May 2012

Carbon dioxide reduction on Ir(111): stable hydrocarbon surface species at near-ambient pressure journal, January 2016

In Situ Oxidation Study of Pt(110) and Its Interaction with CO journal, December 2011

Synergetic interaction between neighbouring platinum monomers in CO2 hydrogenation journal, March 2018

O 2 Activation by Metal Surfaces: Implications for Bonding and Reactivity on Heterogeneous Catalysts journal, November 2017

Oxidation of Pt(111) under Near-Ambient Conditions journal, November 2011

Investigation of the Initial Steps of the Electrochemical Reduction of CO 2 on Pt Electrodes journal, September 2014

Graphene cover-promoted metal-catalyzed reactions journal, November 2014

New ambient pressure photoemission endstation at Advanced Light Source beamline 9.3.2 journal, May 2010

Weakly-bound hydrogen on defected Pt(111) journal, May 2015

Structure Sensitivity of CO 2 Hydrogenation Reaction Catalyzed by Pt/Carbon Catalysts journal, January 1996

High-Coverage Structures of Carbon Monoxide Adsorbed on Pt(111) Studied by High-Pressure Scanning Tunneling Microscopy † journal, September 2004

Dramatic differences in carbon dioxide adsorption and initial steps of reduction between silver and copper journal, April 2019

Kinetic parameters of CO adsorbed on Pt(111) studied by in situ high resolution x-ray photoelectron spectroscopy journal, December 2002

Dehydration Pathway for the Dissociation of Gas-Phase Formic Acid on Pt(111) Surface Observed via Ambient-Pressure XPS journal, January 2018

Trends in the catalytic reduction of CO2 by hydrogen over supported monometallic and bimetallic catalysts
journal, May 2013

A high-pressure-induced dense CO overlayer on a Pt(111) surface: a chemical analysis using in situ near ambient pressure XPS
journal, January 2014

Low temperature catalytic reverse water gas shift reaction assisted by an electric field
journal, September 2014

Modeling CO2 reduction on Pt(111)
journal, January 2013

Reverse Water–Gas Shift or Sabatier Methanation on Ni(110)? Stable Surface Species at Near-Ambient Pressure
journal, March 2016

Pt/titania-nanotube: A potential catalyst for CO2 adsorption and hydrogenation
journal, October 2008

Microwave-Specific Enhancement of the Carbon–Carbon Dioxide (Boudouard) Reaction
journal, November 2013

Hydrogen-induced CO displacement from the Pt(111) surface: an isothermal kinetic study
journal, November 1991

2 $π^{/ e m p h >}$ resonance features in the electronic spectra of chemisorbed CO
journal, May 1988

Catalytic reduction of CO ₂ by H ₂ for synthesis of CO, methanol and hydrocarbons: challenges and opportunities
journal, January 2016

CO adsorption and dissociation on Ru(0001) at elevated pressures
journal, February 2013

Tuning Selectivity of CO ₂ Hydrogenation Reactions at the Metal/Oxide Interface
journal, July 2017

Reaction-Driven Restructuring of Rh-Pd and Pt-Pd Core-Shell Nanoparticles
journal, November 2008

Sputtering deposition, XPS and X-ray diffraction characterization of oxygen-platinum compounds
journal, April 1979

Heterogeneous catalytic hydrogenation of CO ₂ by metal oxides: defect engineering – perfecting imperfection
journal, January 2017

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

Adsorbate line shapes and multiple lines in XPS; comparison of theory and experiment
journal, July 1978

CO ₂ Hydrogenation to Formate and Methanol as an Alternative to Photo- and Electrochemical CO ₂ Reduction
journal, August 2015

In situ NAP-XPS spectroscopy during methane dry reforming on ZrO 2 /Pt(1 1 1) inverse model catalyst
journal, June 2018

Break-Up of Stepped Platinum Catalyst Surfaces by High CO Coverage
journal, February 2010

Ambient pressure photoelectron spectroscopy: A new tool for surface science and nanotechnology
journal, April 2008

Spectroscopic study of K-induced activation of CO2 on Pt(111)
journal, April 1991

Sustainable Conversion of Carbon Dioxide: An Integrated Review of Catalysis and Life Cycle Assessment
journal, December 2017

Ambient-Pressure X-ray Photoelectron Spectroscopy Study of Cobalt Foil Model Catalyst under CO, H ₂ , and Their Mixtures
journal, January 2017

Directly converting CO2 into a gasoline fuel
journal, May 2017

Recycling of CO ₂ : Probing the Chemical State of the Ni(111) Surface during the Methanation Reaction with Ambient-Pressure X-Ray Photoelectron Spectroscopy
journal, September 2016

Formation of hydroxyl and water layers on MgO films studied with ambient pressure XPS
journal, January 2011

Mechanistic Insights into CO ₂ Activation via Reverse Water–Gas Shift on Metal Surfaces
journal, February 2015

Theoretical Investigation of CO ₂ Adsorption and Dissociation on Low Index Surfaces of Transition Metals
journal, March 2018

Identification of active sites in CO oxidation and water-gas shift over supported Pt catalysts
journal, September 2015

Selective conversion of syngas to light olefins
journal, March 2016

CO2 hydrogenation on Pt, Pt/SiO2 and Pt/TiO2: Importance of synergy between Pt and oxide support
journal, November 2016

Structure and Bonding of the Water−Hydroxyl Mixed Phase on Pt(111)
journal, September 2007

Spectrokinetic Investigation of Reverse Water-Gas-Shift Reaction Intermediates over a Pt/CeO ₂ Catalyst
journal, December 2004

XPS observation of surface interaction between H2 and CO2 on platinum foil
journal, December 1995

Recent advances in catalytic hydrogenation of carbon dioxide
journal, January 2011

Sequential precursors in dissociative chemisorption: $O_{2}$ on Pt(111)
journal, June 1989

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

CO-Coverage-Dependent Oxygen Dissociation on Pt(111) Surface
journal, December 2008

Characterizing Graphitic Carbon with X-ray Photoelectron Spectroscopy: A Step-by-Step Approach
journal, July 2015

Adsorbate-driven reactive interfacial Pt-NiO 1− x nanostructure formation on the Pt 3 Ni(111) alloy surface
journal, July 2018

A New Type of Strong Metal–Support Interaction and the Production of H ₂ through the Transformation of Water on Pt/CeO ₂ (111) and Pt/CeO _x /TiO ₂ (110) Catalysts
journal, May 2012

Carbon dioxide reduction on Ir(111): stable hydrocarbon surface species at near-ambient pressure
journal, January 2016

In Situ Oxidation Study of Pt(110) and Its Interaction with CO
journal, December 2011

Synergetic interaction between neighbouring platinum monomers in CO2 hydrogenation
journal, March 2018

O ₂ Activation by Metal Surfaces: Implications for Bonding and Reactivity on Heterogeneous Catalysts
journal, November 2017

Oxidation of Pt(111) under Near-Ambient Conditions
journal, November 2011

Investigation of the Initial Steps of the Electrochemical Reduction of CO ₂ on Pt Electrodes
journal, September 2014

Graphene cover-promoted metal-catalyzed reactions
journal, November 2014

New ambient pressure photoemission endstation at Advanced Light Source beamline 9.3.2
journal, May 2010

Weakly-bound hydrogen on defected Pt(111)
journal, May 2015

Structure Sensitivity of CO ₂ Hydrogenation Reaction Catalyzed by Pt/Carbon Catalysts
journal, January 1996

High-Coverage Structures of Carbon Monoxide Adsorbed on Pt(111) Studied by High-Pressure Scanning Tunneling Microscopy ^†
journal, September 2004

Dramatic differences in carbon dioxide adsorption and initial steps of reduction between silver and copper
journal, April 2019

Kinetic parameters of CO adsorbed on Pt(111) studied by in situ high resolution x-ray photoelectron spectroscopy
journal, December 2002

Dehydration Pathway for the Dissociation of Gas-Phase Formic Acid on Pt(111) Surface Observed via Ambient-Pressure XPS
journal, January 2018