ChemRxiv
These are preliminary reports that have not been peer-reviewed. They should not be regarded as conclusive, guide clinical practice/health-related behavior, or be reported in news media as established information. For more information, please see our FAQs.
C2Mechanism_final.pdf (1.32 MB)
0/0

The Role of Atomic Carbon in Directing Electrochemical CO(2) Reduction to Multicarbon Products

preprint
submitted on 17.12.2019 and posted on 31.12.2019 by Hongjie Peng, Michael Tang, Xinyan Liu, Philomena Schlexer Lamoureux, Michal Bajdich, Frank Abild-Pedersen
Electrochemical reduction of carbon-dioxide/carbon-monoxide (CO(2)R) to fuels and chemicals presents an attractive approach for sustainable chemical synthesis, but also poses a serious challenge in catalysis. Understanding the key aspects that guide CO(2)R towards value-added multicarbon (C2+) products is imperative in designing an efficient catalyst. Herein, we identify the critical steps toward C2 products on copper through a combination of energetics from density functional theory and micro-kinetic modeling. We elucidate the importance of atomic carbon in directing C2+ selectivity and how it introduces surface structural sensitivity on copper catalysts. This insight enables us to propose two simple thermodynamic descriptors that effectively describe C2+ selectivity on metal catalysts beyond copper and hence it identifies an intelligible protocol to screen for materials that selectively catalyze CO(2) to C2+ products.

Funding

Energy Innovation Hub Renewal - Fuels from Sunlight

Basic Energy Sciences

Find out more...

History

Email Address of Submitting Author

hjpeng@stanford.edu

Institution

SUNCAT Center for Interface Science and Catalysis

Country

United States

ORCID For Submitting Author

0000-0002-4183-703X

Declaration of Conflict of Interest

No conflict of interest

Exports