DFT prediction of oxygen reduction reaction on B-SiNT catalyst in fuel cells
Document Type
Article
Publication Date
2-1-2020
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.
Keywords
O-R-reaction, Nano-tube, M06, Adoption, Catalyst, Mechanism action
Divisions
GEOLOGY
Funders
None
Publication Title
Journal of Electroanalytical Chemistry
Volume
858
Publisher
Elsevier
Publisher Location
PO BOX 564, 1001 LAUSANNE, SWITZERLAND