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Title: Enhancing electrocatalysis for hydrogen production over CoP catalyst by strain: a density functional theory study

Abstract

The facet-dependent strain effects on the hydrogen evolution reaction catalyzed by CoP were studied using density functional theory methods.

Authors:
 [1];  [2]; ORCiD logo [1]
  1. Department of New Energy Science and Engineering, School of Energy and Power Engineering, Huazhong University of Science and Technology, Wuhan 430074, China
  2. Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, USA
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1508422
Grant/Contract Number:  
DEAC02-06CH11357
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics Journal Volume: 21 Journal Issue: 18; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Liu, Fanghan, Liu, Cong, and Zhong, Xiaoliang. Enhancing electrocatalysis for hydrogen production over CoP catalyst by strain: a density functional theory study. United Kingdom: N. p., 2019. Web. doi:10.1039/C9CP00128J.
Liu, Fanghan, Liu, Cong, & Zhong, Xiaoliang. Enhancing electrocatalysis for hydrogen production over CoP catalyst by strain: a density functional theory study. United Kingdom. doi:10.1039/C9CP00128J.
Liu, Fanghan, Liu, Cong, and Zhong, Xiaoliang. Wed . "Enhancing electrocatalysis for hydrogen production over CoP catalyst by strain: a density functional theory study". United Kingdom. doi:10.1039/C9CP00128J.
@article{osti_1508422,
title = {Enhancing electrocatalysis for hydrogen production over CoP catalyst by strain: a density functional theory study},
author = {Liu, Fanghan and Liu, Cong and Zhong, Xiaoliang},
abstractNote = {The facet-dependent strain effects on the hydrogen evolution reaction catalyzed by CoP were studied using density functional theory methods.},
doi = {10.1039/C9CP00128J},
journal = {Physical Chemistry Chemical Physics},
issn = {1463-9076},
number = 18,
volume = 21,
place = {United Kingdom},
year = {2019},
month = {5}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on April 8, 2020
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Works referenced in this record:

Inhomogeneous Electron Gas
journal, November 1964


Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965