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DFT prediction of oxygen reduction reaction on B-SiNT catalyst in fuel cells

The investigation of potential of various catalysts of oxygen reduction reaction (O-R-reaction) due to great commercial utilization of fuel cells is an essential principle. In this work, catalytic potential of B-SiNT for O-R-reaction are investigated. In present study, the acceptable reaction paths...

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Main Authors: Ashraf, Muhammad Aqeel, Liu, Zhenling, Zhang, Dangquan, Najafi, Meysam
Format: Article
Published: Elsevier 2020
Subjects:
GE Environmental Sciences
QE Geology
Online Access:http://eprints.um.edu.my/36906/
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spelling my.um.eprints.369062024-11-06T03:59:07Z http://eprints.um.edu.my/36906/ DFT prediction of oxygen reduction reaction on B-SiNT catalyst in fuel cells Ashraf, Muhammad Aqeel Liu, Zhenling Zhang, Dangquan Najafi, Meysam GE Environmental Sciences QE Geology The investigation of potential of various catalysts of oxygen reduction reaction (O-R-reaction) due to great commercial utilization of fuel cells is an essential principle. In this work, catalytic potential of B-SiNT for O-R-reaction are investigated. In present study, the acceptable reaction paths are examined, and optimum reaction of O-R-reaction on B-SiNT is recognized. Results indicate that O-R-reaction on B-SiNT can be proceed through ER mechanisms. In this work, the calculated overpotential to O-R-reaction on B-SiNT is 0.26 V that is smaller than overpotential on Pt-compounds. Results indicated that the onset potential for O-R-reaction is 0.97 V and overpotential is 0.26 V and B-SiNT is potential catalyst to O-R-reaction. Elsevier 2020-02 Article PeerReviewed Ashraf, Muhammad Aqeel and Liu, Zhenling and Zhang, Dangquan and Najafi, Meysam (2020) DFT prediction of oxygen reduction reaction on B-SiNT catalyst in fuel cells. Journal of Electroanalytical Chemistry, 858. ISSN 1572-6657, DOI https://doi.org/10.1016/j.jelechem.2019.113814 <https://doi.org/10.1016/j.jelechem.2019.113814>. 10.1016/j.jelechem.2019.113814
institution Universiti Malaya
building UM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaya
content_source UM Research Repository
url_provider http://eprints.um.edu.my/
topic GE Environmental Sciences
QE Geology
spellingShingle GE Environmental Sciences
QE Geology
Ashraf, Muhammad Aqeel
Liu, Zhenling
Zhang, Dangquan
Najafi, Meysam
DFT prediction of oxygen reduction reaction on B-SiNT catalyst in fuel cells
description The investigation of potential of various catalysts of oxygen reduction reaction (O-R-reaction) due to great commercial utilization of fuel cells is an essential principle. In this work, catalytic potential of B-SiNT for O-R-reaction are investigated. In present study, the acceptable reaction paths are examined, and optimum reaction of O-R-reaction on B-SiNT is recognized. Results indicate that O-R-reaction on B-SiNT can be proceed through ER mechanisms. In this work, the calculated overpotential to O-R-reaction on B-SiNT is 0.26 V that is smaller than overpotential on Pt-compounds. Results indicated that the onset potential for O-R-reaction is 0.97 V and overpotential is 0.26 V and B-SiNT is potential catalyst to O-R-reaction.
format Article
author Ashraf, Muhammad Aqeel
Liu, Zhenling
Zhang, Dangquan
Najafi, Meysam
author_facet Ashraf, Muhammad Aqeel
Liu, Zhenling
Zhang, Dangquan
Najafi, Meysam
author_sort Ashraf, Muhammad Aqeel
title DFT prediction of oxygen reduction reaction on B-SiNT catalyst in fuel cells
title_short DFT prediction of oxygen reduction reaction on B-SiNT catalyst in fuel cells
title_full DFT prediction of oxygen reduction reaction on B-SiNT catalyst in fuel cells
title_fullStr DFT prediction of oxygen reduction reaction on B-SiNT catalyst in fuel cells
title_full_unstemmed DFT prediction of oxygen reduction reaction on B-SiNT catalyst in fuel cells
title_sort dft prediction of oxygen reduction reaction on b-sint catalyst in fuel cells
publisher Elsevier
publishDate 2020
url http://eprints.um.edu.my/36906/
_version_ 1816130385372774400
score 13.214268

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