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

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.

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Abstract

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.

Item Type: Article
Funders: None
Uncontrolled Keywords: O-R-reaction; Nano-tube; M06; Adoption; Catalyst; Mechanism action
Subjects: G Geography. Anthropology. Recreation > GE Environmental Sciences
Q Science > QE Geology
Divisions: Faculty of Science > Department of Geology
Depositing User: Ms Zaharah Ramly
Date Deposited: 06 Nov 2024 03:59
Last Modified: 06 Nov 2024 03:59
URI: http://eprints.um.edu.my/id/eprint/36906

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