Controlling Oxygen-Based Electrochemical Reactions through Spin Orientation

Title
Controlling Oxygen-Based Electrochemical Reactions through Spin Orientation
Authors
이승철Satadeep Bhattacharjee
Keywords
Density Functional Theory; Catalyst; Spin orientation; Magnetic Material; Oxygen Reduction Reaction
Issue Date
2018-01
Publisher
The Journal of Physical Chemistry C
Citation
VOL 122, NO 1-901
Abstract
The role of spin orientation on the reactivity of oxygen reduction reaction (ORR) intermediates (O, OH) on a ferromagnetic electrode surface is studied using constrained density functional theory formalism. We show that the strength of the binding of these reaction intermediates depend on their relative spin orientations with respect to the magnetization of the electrode. This suggests that oxygen-based electrochemical reactions on ferromagnetic catalyst surfaces can be controlled through the applied magnetic field. In the present study, we demonstrate such a possibility through the study of an oxygen reduction reaction on a PdFe (001) surface by introducing a new concept: spin orientation dependent overpotential. Also, we have explained the origin of lower dissociation barrier for the O-2, molecule on ferromagnetic surfaces when its spin moment is antiparallel to the surface magnetization as reported in the recent experiments.
URI
http://pubs.kist.re.kr/handle/201004/70796
ISSN
1932-7447
Appears in Collections:
KIST Publication > Article
Files in This Item:
There are no files associated with this item.
Export
RIS (EndNote)
XLS (Excel)
XML


qrcode

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

BROWSE