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: | , , , |
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Format: | Article |
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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. |
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