Communication: Enhanced oxygen reduction reaction and its underlying mechanism in Pd-Ir-Co trimetallic alloys

Title
Communication: Enhanced oxygen reduction reaction and its underlying mechanism in Pd-Ir-Co trimetallic alloys
Authors
함형철Dhivya ManogaranKang Hee LeeKyungjung KwonSeon-ah JinDae Jong YouChanho PakGyeong S. Hwang
Keywords
PEMFC; Pd-Co-Ir; oxygen reduction reaction
Issue Date
2013-11
Publisher
The Journal of chemical physics
Citation
VOL 139, NO 20, 201104-1-201104-4
Abstract
Based on a combined density functional theory and experimental study, we present that the electrochemical activity of Pd3Co alloy catalysts toward oxygen reduction reaction (ORR) can be enhanced by adding a small amount of Ir. While Ir tends to favorably exist in the subsurface layers, the underlying Ir atoms are found to cause a substantial modification in the surface electronic structure. As a consequence, we find that the activation barriers of O/OH hydrogenation reactions are noticeably lowered, which would be mainly responsible for the enhanced ORR activity. Furthermore, our study suggests that the presence of Ir in the near-surface region can suppress Co out-diffusion from the Pd3Co substrate, thereby improving the durability of Pd-Ir-Co catalysts. We also discuss the relative roles played by Ir and Co in enhancing the ORR activity relative to monometallic Pd catalysts.
URI
http://pubs.kist.re.kr/handle/201004/46828
ISSN
00219606
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KIST Publication > Article
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