Controlling selectivities in CO2 reduction through mechanistic understanding

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.  doi: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.  doi: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}

}

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DOI: 10.1038/s41467-017-00558-9

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Title: Controlling selectivities in CO2 reduction through mechanistic understanding

Abstract

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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

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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
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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
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Recent advances in catalytic hydrogenation of carbon dioxide
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Characterization of Catalytic Surfaces by Isotopic-Transient Kinetics during Steady-State Reaction
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journal, November 2014

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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
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Support and rhenium effects on the intrinsic site activity and methane selectivity of cobalt Fischer–Tropsch catalysts
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Engineering Pt in Ceria for a Maximum Metal−Support Interaction in Catalysis
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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

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The Interplay between Structure and Product Selectivity of CO 2 Hydrogenation
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Operando Spectroscopic Evidence of the Induced Effect of Residual Species in the Reaction Intermediates during CO ₂ Hydrogenation over Ruthenium Nanoparticles
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Development and Application of Carbon-Layer-Stabilized, Nitrogen-Doped, Bamboo-Like Carbon Nanotube Catalysts in CO ₂ Hydrogenation
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Carboxyl intermediate formation via an in situ-generated metastable active site during water-gas shift catalysis
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Hydroxyl-mediated ethanol selectivity of CO ₂ hydrogenation
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Carbon Dioxide Hydrogenation under Subcritical and Supercritical Conditions in the Presence of 15% Fe/SiO2 Catalyst
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