Understanding Trends in the Electrocatalytic Activity of Metals and Enzymes for CO2 Reduction to CO
Top Cited Papers
- 14 January 2013
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry Letters
- Vol. 4 (3), 388-392
- https://doi.org/10.1021/jz3021155
Abstract
We develop a model based on density functional theory calculations to describe trends in catalytic activity for CO2 electroreduction to CO in terms of the adsorption energy of the reaction intermediates, CO and COOH. The model is applied to metal surfaces as well as the active site in the CODH enzymes and shows that the strong scaling between adsorbed CO and adsorbed COOH on metal surfaces is responsible for the persistent overpotential. The active site of the CODH enzyme is not subject to these scaling relations and optimizes the relative binding energies of these adsorbates, allowing for an essentially reversible process with a low overpotential.Keywords
This publication has 27 references indexed in Scilit:
- Ionic Liquid–Mediated Selective Conversion of CO 2 to CO at Low OverpotentialsScience, 2011
- Structure effects on the energetics of the electrochemical reduction of CO2 by copper surfacesSurface Science, 2011
- CO2 photoreduction at enzyme-modified metal oxide nanoparticlesEnergy & Environmental Science, 2011
- How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuelsEnergy & Environmental Science, 2010
- Water−Gas Shift Reaction Catalyzed by Redox Enzymes on Conducting Graphite PlateletsJournal of the American Chemical Society, 2009
- Development of Molecular Electrocatalysts for CO2 Reduction and H2 Production/OxidationAccounts of Chemical Research, 2009
- Electrocatalytic and homogeneous approaches to conversion of CO2to liquid fuelsChemical Society Reviews, 2008
- Rapid and Efficient Electrocatalytic CO2/CO Interconversions by Carboxydothermus hydrogenoformans CO Dehydrogenase I on an ElectrodeJournal of the American Chemical Society, 2007
- Kinetics of Electrochemical Reduction of Carbon Dioxide on a Gold Electrode in Phosphate Buffer SolutionsBulletin of the Chemical Society of Japan, 1995
- Electrochemical reduction of carbon dioxides to carbon monoxide at a gold electrode in aqueous potassium hydrogen carbonateJournal of the Chemical Society, Chemical Communications, 1987