The Role of Subsurface Oxygen on Cu Surfaces for CO2 Electrochemical Reduction

Fields, Meredith; Hong, Xin; Norskov, Jens K.; Chan, Karen

doi:10.1021/acs.jpcc.8b04983

Title: The Role of Subsurface Oxygen on Cu Surfaces for CO₂ Electrochemical Reduction

Journal Article · 12 June 2018 · Journal of Physical Chemistry. C

DOI: https://doi.org/10.1021/acs.jpcc.8b04983 · OSTI ID:1457147

Fields, Meredith ^[1]; Hong, Xin ^[2]; Norskov, Jens K. ^[1]; Chan, Karen ^[3]

Stanford Univ., Stanford, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States)
Zhejiang Univ., Hangzhou (China)
SLAC National Accelerator Lab., Menlo Park, CA (United States)

Under ambient conditions, copper with oxygen near the surface displays strengthened CO₂ and CO adsorption energies. This finding is often used to rationalize differences seen in product distributions between Cu-oxide and pure Cu electrodes during electrochemical CO₂ reduction. However, little evidence exists to confirm the presence of oxygen within first few layers of the Cu matrix under relevant experimental reducing conditions. As a result, using density functional theory calculations, we discuss the stability of subsurface oxygen from thermodynamic and kinetic perspectives, and show that under reducing potentials, subsurface oxygen alone should have negligible effects on the activity of crystalline Cu.

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Research Organization:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-76SF00515

OSTI ID:: 1457147

Journal Information:: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 28 Vol. 122; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Electrochemical CO ₂ Reduction into Chemical Feedstocks: From Mechanistic Electrocatalysis Models to System Design Kibria, Md Golam; Edwards, Jonathan P.; Gabardo, Christine M. Advanced Materials, Vol. 31, Issue 31 https://doi.org/10.1002/adma.201807166	journal	December 2018
Paramelaconite‐Enriched Copper‐Based Material as an Efficient and Robust Catalyst for Electrochemical Carbon Dioxide Reduction Martić, Nemanja; Reller, Christian; Macauley, Chandra Advanced Energy Materials, Vol. 9, Issue 29 https://doi.org/10.1002/aenm.201901228	journal	June 2019
Advances and challenges in understanding the electrocatalytic conversion of carbon dioxide to fuels Birdja, Yuvraj Y.; Pérez-Gallent, Elena; Figueiredo, Marta C. Nature Energy, Vol. 4, Issue 9 https://doi.org/10.1038/s41560-019-0450-y	journal	September 2019

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