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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Bibliographic Details
Main Authors: Ashraf, Muhammad Aqeel, Liu, Zhenling, Zhang, Dangquan, Najafi, Meysam
Format: Article
Published: Elsevier 2020
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Online Access:http://eprints.um.edu.my/36906/
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Summary: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.