Trends in oxygenate/hydrocarbon selectivity for electrochemical CO(2) reduction to C2 products

Hong-Jie Peng; Michael T. Tang; Joakim Halldin Stenlid; Xinyan Liu; Frank Abild-Pedersen

doi:10.1038/s41467-022-29140-8

Nature Communications (Mar 2022)

Trends in oxygenate/hydrocarbon selectivity for electrochemical CO(2) reduction to C2 products

Hong-Jie Peng,
Michael T. Tang,
Joakim Halldin Stenlid,
Xinyan Liu,
Frank Abild-Pedersen

Affiliations

Hong-Jie Peng: SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory
Michael T. Tang: SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory
Joakim Halldin Stenlid: SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory
Xinyan Liu: SUNCAT Center for Interface Science and Catalysis, Department of Chemical Engineering, Stanford University
Frank Abild-Pedersen: SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory

DOI: https://doi.org/10.1038/s41467-022-29140-8
Journal volume & issue: Vol. 13, no. 1
pp. 1 – 11

Abstract

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Key mechanistic steps for selective CO(2) reduction over Cu into hydrocarbon versus oxygenated C2 products are identified by atomistic and microkinetic modeling. Variations in C and OH binding are found to predict catalytic selectivity of materials.

Published in Nature Communications

ISSN: 2041-1723 (Online)
Publisher: Nature Portfolio
Country of publisher: United Kingdom
LCC subjects: Science
Website: https://www.nature.com/ncomms/

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