Controlling selectivities in CO2 reduction through mechanistic understanding

Wang, Xiang; Shi, Hui; Szanyi, Janos

doi:10.1038/s41467-017-00558-9

Title: Controlling selectivities in CO₂ reduction through mechanistic understanding

Abstract

Catalytic CO₂ conversion to energy carriers and intermediates is of utmost importance to energy and environmental goals. However, the lack of fundamental understanding of the reaction mechanism renders designing a selective catalyst inefficient. We performed operando FTIR/SSITKA experiments to understand the correlation between the kinetics of product formation and that of surface species conversion during CO₂ reduction over Pd/Al₂O₃ catalysts. We found that the rate-determining step for CO formation is the conversion of adsorbed formate, while that for CH₄ formation is the hydrogenation of adsorbed carbonyl. The balance of the hydrogenation kinetics between adsorbed formates and carbonyls governs the selectivities to CH₄ and CO. As a result, we demonstrated how this knowledge can be used to design catalysts to achieve high selectivities to desired products.

Authors:

Wang, Xiang ^[1];

^[1]; Szanyi, Janos ^[1]

Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

Publication Date:: 2017-09-11

Research Org.:: Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1406770

Report Number(s):: PNNL-SA-123127
Journal ID: ISSN 2041-1723; KC0302010

Grant/Contract Number:: AC05-76RL01830

Resource Type:: Accepted Manuscript

Journal Name:: Nature Communications

Additional Journal Information:: Journal Volume: 8; Journal Issue: 1; Journal ID: ISSN 2041-1723

Publisher:: Nature Publishing Group

Country of Publication:: United States

Language:: English

Subject:: 54 ENVIRONMENTAL SCIENCES; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats


                    Wang, Xiang, Shi, Hui, and Szanyi, Janos. Controlling selectivities in CO2 reduction through mechanistic understanding.  United States: N. p., 2017. 
Web.  doi:10.1038/s41467-017-00558-9.

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                    Wang, Xiang, Shi, Hui, & Szanyi, Janos. Controlling selectivities in CO2 reduction through mechanistic understanding.  United States.  https://doi.org/10.1038/s41467-017-00558-9

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                    Wang, Xiang, Shi, Hui, and Szanyi, Janos. Mon .  
"Controlling selectivities in CO2 reduction through mechanistic understanding".  United States.  https://doi.org/10.1038/s41467-017-00558-9.  https://www.osti.gov/servlets/purl/1406770.

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@article{osti_1406770,

  title        = {Controlling selectivities in CO2 reduction through mechanistic understanding},

  author       = {Wang, Xiang and Shi, Hui and Szanyi, Janos},

  abstractNote = {Catalytic CO2 conversion to energy carriers and intermediates is of utmost importance to energy and environmental goals. However, the lack of fundamental understanding of the reaction mechanism renders designing a selective catalyst inefficient. We performed operando FTIR/SSITKA experiments to understand the correlation between the kinetics of product formation and that of surface species conversion during CO2 reduction over Pd/Al2O3 catalysts. We found that the rate-determining step for CO formation is the conversion of adsorbed formate, while that for CH4 formation is the hydrogenation of adsorbed carbonyl. The balance of the hydrogenation kinetics between adsorbed formates and carbonyls governs the selectivities to CH4 and CO. As a result, we demonstrated how this knowledge can be used to design catalysts to achieve high selectivities to desired products.},

  doi          = {10.1038/s41467-017-00558-9},

  journal      = {Nature Communications},

  number       = 1,

  volume       = 8,

  place        = {United States},

  year         = {2017},

  month        = {9}

}

Copy to clipboard

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Title: Controlling selectivities in CO2 reduction through mechanistic understanding

Abstract

Citation Formats

Active Site Dependent Reaction Mechanism over Ru/CeO 2 Catalyst toward CO 2 Methanation journal, May 2016

Isolated Metal Active Site Concentration and Stability Control Catalytic CO 2 Reduction Selectivity journal, February 2015

Importance of Product Readsorption during Isotopic Transient Analysis of Ammonia Synthesis on Ba-Promoted Ru/BaX Catalyst journal, October 2002

Multiproduct Steady-State Isotopic Transient Kinetic Analysis of the Ethanol Coupling Reaction over Hydroxyapatite and Magnesia journal, February 2015

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

The power of quantitative kinetic studies of adsorbate reactivity by operando FTIR spectroscopy carried out at chemical potential steady-state journal, October 2010

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

Characterization of Catalytic Surfaces by Isotopic-Transient Kinetics during Steady-State Reaction journal, May 1995

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

Photothermal Conversion of CO 2 into CH 4 with H 2 over Group VIII Nanocatalysts: An Alternative Approach for Solar Fuel Production journal, July 2014

Methanation of CO 2 and reverse water gas shift reactions on Ni/SiO 2 catalysts: the influence of particle size on selectivity and reaction pathway journal, January 2015

Improving the Hydrogenation Function of Pd/γ-Al 2 O 3 Catalyst by Rh/γ-Al 2 O 3 Addition in CO 2 Methanation at Low Temperature journal, November 2013

Heterogeneous reduction of carbon dioxide by hydride-terminated silicon nanocrystals journal, August 2016

Recent Approaches in Mechanistic and Kinetic Studies of Catalytic Reactions Using SSITKA Technique journal, November 2014

Catalysis for the Valorization of Exhaust Carbon: from CO 2 to Chemicals, Materials, and Fuels. Technological Use of CO 2 journal, November 2013

Kinetic modeling and transient DRIFTS–MS studies of CO2 methanation over Ru/Al2O3 catalysts journal, November 2016

Reverse Water–Gas Shift on Interfacial Sites Formed by Deposition of Oxidized Molybdenum Moieties onto Gold Nanoparticles journal, August 2015

Hydrogenation of CO2 on group VIII metals IV. Specific activities and selectivities of silica-supported Co, Fe, and Ru journal, June 1984

Determination of the Au active site and surface active species via operando transmission FTIR and isotopic transient experiments on 2.3wt.% Au/TiO2 for the WGS reaction journal, May 2012

Catalytic hydrogenation of CO2 over supported palladium journal, March 1986

CO 2 Hydrogenation over Oxide-Supported PtCo Catalysts: The Role of the Oxide Support in Determining the Product Selectivity journal, May 2016

Surface interaction between H2 and CO2 over palladium on various supports journal, October 1985

Modelling a reactor cell for operando IR studies: From qualitative to fully quantitative kinetic investigations journal, April 2017

CO 2 Reduction on Supported Ru/Al 2 O 3 Catalysts: Cluster Size Dependence of Product Selectivity journal, October 2013

Support and rhenium effects on the intrinsic site activity and methane selectivity of cobalt Fischer–Tropsch catalysts journal, January 2004

Methanation and photo-methanation of carbon dioxide at room temperature and atmospheric pressure journal, June 1987

Engineering Pt in Ceria for a Maximum Metal−Support Interaction in Catalysis journal, December 2005

Ni/Ce–Zr–O catalyst for high CO2 conversion during reverse water gas shift reaction (RWGS) journal, December 2015

Design and operating characteristics of a transient kinetic analysis catalysis reactor system employing in situ transmission Fourier transform infrared journal, September 2006

Quantitative analysis of the reactivity of formate species seen by DRIFTS over a Au/Ce(La)O2 water–gas shift catalyst: First unambiguous evidence of the minority role of formates as reaction intermediates journal, April 2007

Infrared study of the surface interaction between H2 and CO2 over rhodium on various supports journal, January 1981

Heterogeneous Catalysis on Atomically Dispersed Supported Metals: CO 2 Reduction on Multifunctional Pd Catalysts journal, August 2013

Mechanism of CO 2 Hydrogenation on Pd/Al 2 O 3 Catalysts: Kinetics and Transient DRIFTS-MS Studies journal, September 2015

CO 2 Hydrogenation over Oxide-Supported PtCo Catalysts: The Role of the Oxide Support in Determining the Product Selectivity journal, May 2016

Photothermal Conversion of CO 2 into CH 4 with H 2 over Group VIII Nanocatalysts: An Alternative Approach for Solar Fuel Production journal, July 2014

The Interplay between Structure and Product Selectivity of CO 2 Hydrogenation journal, June 2019

Operando Spectroscopic Evidence of the Induced Effect of Residual Species in the Reaction Intermediates during CO 2 Hydrogenation over Ruthenium Nanoparticles journal, March 2019

Development and Application of Carbon-Layer-Stabilized, Nitrogen-Doped, Bamboo-Like Carbon Nanotube Catalysts in CO 2 Hydrogenation journal, October 2018

Carboxyl intermediate formation via an in situ-generated metastable active site during water-gas shift catalysis journal, September 2019

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Title: Controlling selectivities in CO₂ reduction through mechanistic understanding

Active Site Dependent Reaction Mechanism over Ru/CeO ₂ Catalyst toward CO ₂ Methanation
journal, May 2016

Isolated Metal Active Site Concentration and Stability Control Catalytic CO ₂ Reduction Selectivity
journal, February 2015

Importance of Product Readsorption during Isotopic Transient Analysis of Ammonia Synthesis on Ba-Promoted Ru/BaX Catalyst
journal, October 2002

Multiproduct Steady-State Isotopic Transient Kinetic Analysis of the Ethanol Coupling Reaction over Hydroxyapatite and Magnesia
journal, February 2015

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

The power of quantitative kinetic studies of adsorbate reactivity by operando FTIR spectroscopy carried out at chemical potential steady-state
journal, October 2010

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

Characterization of Catalytic Surfaces by Isotopic-Transient Kinetics during Steady-State Reaction
journal, May 1995

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

Photothermal Conversion of CO ₂ into CH ₄ with H ₂ over Group VIII Nanocatalysts: An Alternative Approach for Solar Fuel Production
journal, July 2014

Methanation of CO ₂ and reverse water gas shift reactions on Ni/SiO ₂ catalysts: the influence of particle size on selectivity and reaction pathway
journal, January 2015

Improving the Hydrogenation Function of Pd/γ-Al ₂ O ₃ Catalyst by Rh/γ-Al ₂ O ₃ Addition in CO ₂ Methanation at Low Temperature
journal, November 2013

Heterogeneous reduction of carbon dioxide by hydride-terminated silicon nanocrystals
journal, August 2016

Recent Approaches in Mechanistic and Kinetic Studies of Catalytic Reactions Using SSITKA Technique
journal, November 2014

Catalysis for the Valorization of Exhaust Carbon: from CO ₂ to Chemicals, Materials, and Fuels. Technological Use of CO ₂
journal, November 2013

Kinetic modeling and transient DRIFTS–MS studies of CO2 methanation over Ru/Al2O3 catalysts
journal, November 2016

Reverse Water–Gas Shift on Interfacial Sites Formed by Deposition of Oxidized Molybdenum Moieties onto Gold Nanoparticles
journal, August 2015

Hydrogenation of CO2 on group VIII metals IV. Specific activities and selectivities of silica-supported Co, Fe, and Ru
journal, June 1984

Determination of the Au active site and surface active species via operando transmission FTIR and isotopic transient experiments on 2.3wt.% Au/TiO2 for the WGS reaction
journal, May 2012

Catalytic hydrogenation of CO2 over supported palladium
journal, March 1986

CO ₂ Hydrogenation over Oxide-Supported PtCo Catalysts: The Role of the Oxide Support in Determining the Product Selectivity
journal, May 2016

Surface interaction between H2 and CO2 over palladium on various supports
journal, October 1985

Modelling a reactor cell for operando IR studies: From qualitative to fully quantitative kinetic investigations
journal, April 2017

CO ₂ Reduction on Supported Ru/Al ₂ O ₃ Catalysts: Cluster Size Dependence of Product Selectivity
journal, October 2013

Support and rhenium effects on the intrinsic site activity and methane selectivity of cobalt Fischer–Tropsch catalysts
journal, January 2004

Methanation and photo-methanation of carbon dioxide at room temperature and atmospheric pressure
journal, June 1987

Engineering Pt in Ceria for a Maximum Metal−Support Interaction in Catalysis
journal, December 2005

Ni/Ce–Zr–O catalyst for high CO2 conversion during reverse water gas shift reaction (RWGS)
journal, December 2015

Design and operating characteristics of a transient kinetic analysis catalysis reactor system employing in situ transmission Fourier transform infrared
journal, September 2006

Quantitative analysis of the reactivity of formate species seen by DRIFTS over a Au/Ce(La)O2 water–gas shift catalyst: First unambiguous evidence of the minority role of formates as reaction intermediates
journal, April 2007

Infrared study of the surface interaction between H2 and CO2 over rhodium on various supports
journal, January 1981

Heterogeneous Catalysis on Atomically Dispersed Supported Metals: CO ₂ Reduction on Multifunctional Pd Catalysts
journal, August 2013

Mechanism of CO ₂ Hydrogenation on Pd/Al ₂ O ₃ Catalysts: Kinetics and Transient DRIFTS-MS Studies
journal, September 2015

CO ₂ Hydrogenation over Oxide-Supported PtCo Catalysts: The Role of the Oxide Support in Determining the Product Selectivity
journal, May 2016

Photothermal Conversion of CO ₂ into CH ₄ with H ₂ over Group VIII Nanocatalysts: An Alternative Approach for Solar Fuel Production
journal, July 2014

The Interplay between Structure and Product Selectivity of CO 2 Hydrogenation
journal, June 2019

Operando Spectroscopic Evidence of the Induced Effect of Residual Species in the Reaction Intermediates during CO ₂ Hydrogenation over Ruthenium Nanoparticles
journal, March 2019

Development and Application of Carbon-Layer-Stabilized, Nitrogen-Doped, Bamboo-Like Carbon Nanotube Catalysts in CO ₂ Hydrogenation
journal, October 2018

Carboxyl intermediate formation via an in situ-generated metastable active site during water-gas shift catalysis
journal, September 2019

Hydroxyl-mediated ethanol selectivity of CO ₂ hydrogenation
journal, January 2019

Carbon Dioxide Hydrogenation under Subcritical and Supercritical Conditions in the Presence of 15% Fe/SiO2 Catalyst
journal, October 2018