skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Tuning oxygen electrocatalysis via strain on LaNiO 3(001)

Abstract

Theoretical insights into the influence of strain on the mechanisms of the oxygen evolution and oxygen reduction reactions on LaNiO 3(001). The slow kinetics of the oxygen evolution (OER) and oxygen reduction (ORR) reactions hamper the development of renewable energy storage and conversion technologies. Transition-metal oxides (TMOs) are cost-effective replacements to conventional noble metal catalysts for driving these electrochemical systems. Strain is known to greatly affect the electronic structure of TMO surfaces, leading to significant changes in their electrocatalytic activities. In this study, we explore the influence of strain on the OER and ORR mechanisms on the LaNiO 3(001) surface using density functional theory (DFT).

Authors:
ORCiD logo [1]; ORCiD logo [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1502610
Alternate Identifier(s):
OSTI ID: 1478127
Grant/Contract Number:  
AC05-00OR22725; Office of Science Early Career Research Program
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Volume: 21; Journal Issue: 9; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Yuk, Simuck F., and Cooper, Valentino R.. Tuning oxygen electrocatalysis via strain on LaNiO3(001). United States: N. p., 2018. Web. doi:10.1039/C8CP02405G.
Yuk, Simuck F., & Cooper, Valentino R.. Tuning oxygen electrocatalysis via strain on LaNiO3(001). United States. doi:10.1039/C8CP02405G.
Yuk, Simuck F., and Cooper, Valentino R.. Mon . "Tuning oxygen electrocatalysis via strain on LaNiO3(001)". United States. doi:10.1039/C8CP02405G.
@article{osti_1502610,
title = {Tuning oxygen electrocatalysis via strain on LaNiO3(001)},
author = {Yuk, Simuck F. and Cooper, Valentino R.},
abstractNote = {Theoretical insights into the influence of strain on the mechanisms of the oxygen evolution and oxygen reduction reactions on LaNiO3(001). The slow kinetics of the oxygen evolution (OER) and oxygen reduction (ORR) reactions hamper the development of renewable energy storage and conversion technologies. Transition-metal oxides (TMOs) are cost-effective replacements to conventional noble metal catalysts for driving these electrochemical systems. Strain is known to greatly affect the electronic structure of TMO surfaces, leading to significant changes in their electrocatalytic activities. In this study, we explore the influence of strain on the OER and ORR mechanisms on the LaNiO3(001) surface using density functional theory (DFT).},
doi = {10.1039/C8CP02405G},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
issn = {1463-9076},
number = 9,
volume = 21,
place = {United States},
year = {2018},
month = {10}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on October 15, 2019
Publisher's Version of Record

Save / Share: