Reversible and Selective CO2 to HCO2- Electrocatalysis near the Thermodynamic Potential

Cunningham, Drew W.; Barlow, Jeffrey M.; Velazquez, Reyna S.; Yang, Jenny Y.

doi:10.1002/anie.201913198

Title: Reversible and Selective CO₂ to HCO₂^- Electrocatalysis near the Thermodynamic Potential

Abstract

Reversible catalysis is an emblem of energy-efficient chemical transformations, but can only be achieved if the changes in free energy of intermediate steps are minimized and the catalytic cycle is devoid of high transition-state barriers. Using these criteria, we show reversible CO₂/HCO₂^- conversion catalyzed by [Pt(depe)₂]²⁺ (depe=1,2-bis(diethylphosphino)ethane). Direct measurement of the free energies associated with each catalytic step correctly predicts a slight bias towards CO₂ reduction. We demonstrate how the experimentally measured free energy of each step directly contributes to the <50mV overpotential. We also find that for CO₂ reduction, H₂ evolution is negligible and the Faradaic efficiency for HCO₂^- production is nearly quantitative. A free-energy analysis reveals H₂ evolution is endergonic, providing a thermodynamic basis for highly selective CO₂ reduction.

Authors:

Cunningham, Drew W. ^[1]; Barlow, Jeffrey M. ^[1]; Velazquez, Reyna S. ^[1];

^[1]

Univ. of California, Irvine, CA (United States)

Publication Date:: Tue Dec 17 00:00:00 EST 2019

Research Org.:: Univ. of California, Irvine, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES); Sloan Foundation

Contributing Org.:: Canadian Institute for Advanced Research (CIFAR)

OSTI Identifier:: 1599223

Alternate Identifier(s):: OSTI ID: 1597124

Grant/Contract Number:: SC0012150; 0000243266

Resource Type:: Accepted Manuscript

Journal Name:: Angewandte Chemie (International Edition)

Additional Journal Information:: Journal Name: Angewandte Chemie (International Edition); Journal Volume: 59; Journal Issue: 11; Journal ID: ISSN 1433-7851

Publisher:: Wiley

Country of Publication:: United States

Language:: English

Subject:: 10 SYNTHETIC FUELS; Carbon dioxide reduction; electrocatalysis; formate; reversible catalysis; thermochemistry

Citation Formats


                    Cunningham, Drew W., Barlow, Jeffrey M., Velazquez, Reyna S., and Yang, Jenny Y. Reversible and Selective CO2 to HCO2- Electrocatalysis near the Thermodynamic Potential.  United States: N. p., 2019. 
Web.  doi:10.1002/anie.201913198.

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                    Cunningham, Drew W., Barlow, Jeffrey M., Velazquez, Reyna S., & Yang, Jenny Y. Reversible and Selective CO2 to HCO2- Electrocatalysis near the Thermodynamic Potential.  United States.  https://doi.org/10.1002/anie.201913198

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                    Cunningham, Drew W., Barlow, Jeffrey M., Velazquez, Reyna S., and Yang, Jenny Y. Tue .  
"Reversible and Selective CO2 to HCO2- Electrocatalysis near the Thermodynamic Potential".  United States.  https://doi.org/10.1002/anie.201913198.  https://www.osti.gov/servlets/purl/1599223.

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@article{osti_1599223,

  title        = {Reversible and Selective CO2 to HCO2- Electrocatalysis near the Thermodynamic Potential},

  author       = {Cunningham, Drew W. and Barlow, Jeffrey M. and Velazquez, Reyna S. and Yang, Jenny Y.},

  abstractNote = {Reversible catalysis is an emblem of energy-efficient chemical transformations, but can only be achieved if the changes in free energy of intermediate steps are minimized and the catalytic cycle is devoid of high transition-state barriers. Using these criteria, we show reversible CO2/HCO2- conversion catalyzed by [Pt(depe)2]2+ (depe=1,2-bis(diethylphosphino)ethane). Direct measurement of the free energies associated with each catalytic step correctly predicts a slight bias towards CO2 reduction. We demonstrate how the experimentally measured free energy of each step directly contributes to the <50mV overpotential. We also find that for CO2 reduction, H2 evolution is negligible and the Faradaic efficiency for HCO2- production is nearly quantitative. A free-energy analysis reveals H2 evolution is endergonic, providing a thermodynamic basis for highly selective CO2 reduction.},

  doi          = {10.1002/anie.201913198},

  journal      = {Angewandte Chemie (International Edition)},

  number       = 11,

  volume       = 59,

  place        = {United States},

  year         = {Tue Dec 17 00:00:00 EST 2019},

  month        = {Tue Dec 17 00:00:00 EST 2019}

}

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Title: Reversible and Selective CO2 to HCO2- Electrocatalysis near the Thermodynamic Potential

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The kinetics and mechanism of the organo-iridium-catalysed enantioselective reduction of imines
journal, January 2016

H ₂ Evolution and Molecular Electrocatalysts: Determination of Overpotentials and Effect of Homoconjugation
journal, November 2010

Direct Determination of Equilibrium Potentials for Hydrogen Oxidation/Production by Open Circuit Potential Measurements in Acetonitrile
journal, June 2012

Electrocatalytic Hydrogen Evolution under Acidic Aqueous Conditions and Mechanistic Studies of a Highly Stable Molecular Catalyst
journal, July 2016

pH-Dependent Reactivity of a Water-Soluble Nickel Complex: Hydrogen Evolution vs Selective Electrochemical Hydride Generation
journal, October 2018

Understanding and Tuning the Catalytic Bias of Hydrogenase
journal, May 2012