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Title: The Role of Subsurface Oxygen on Cu Surfaces for CO 2 Electrochemical Reduction

Abstract

Under ambient conditions, copper with oxygen near the surface displays strengthened CO 2 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 CO 2 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.

Authors:
 [1];  [2];  [1];  [3]
  1. Stanford Univ., Stanford, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States)
  2. Zhejiang Univ., Hangzhou (China)
  3. SLAC National Accelerator Lab., Menlo Park, CA (United States)
Publication Date:
Research Org.:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1457147
Grant/Contract Number:  
AC02-76SF00515
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry. C
Additional Journal Information:
Journal Name: Journal of Physical Chemistry. C; Journal ID: ISSN 1932-7447
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Fields, Meredith, Hong, Xin, Norskov, Jens K., and Chan, Karen. The Role of Subsurface Oxygen on Cu Surfaces for CO2 Electrochemical Reduction. United States: N. p., 2018. Web. doi:10.1021/acs.jpcc.8b04983.
Fields, Meredith, Hong, Xin, Norskov, Jens K., & Chan, Karen. The Role of Subsurface Oxygen on Cu Surfaces for CO2 Electrochemical Reduction. United States. doi:10.1021/acs.jpcc.8b04983.
Fields, Meredith, Hong, Xin, Norskov, Jens K., and Chan, Karen. Tue . "The Role of Subsurface Oxygen on Cu Surfaces for CO2 Electrochemical Reduction". United States. doi:10.1021/acs.jpcc.8b04983. https://www.osti.gov/servlets/purl/1457147.
@article{osti_1457147,
title = {The Role of Subsurface Oxygen on Cu Surfaces for CO2 Electrochemical Reduction},
author = {Fields, Meredith and Hong, Xin and Norskov, Jens K. and Chan, Karen},
abstractNote = {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.},
doi = {10.1021/acs.jpcc.8b04983},
journal = {Journal of Physical Chemistry. C},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {6}
}

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Cited by: 3 works
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