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

Hyung Chul Ham, Dhivya Manogaran, Kang Hee Lee, Kyungjung Kwon, Seon Ah Jin, Dae Jong You, Chanho Pak, Gyeong S. Hwang

Research output: Contribution to journalArticlepeer-review

34 Scopus citations

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.

Original languageEnglish
Article number201104
JournalJournal of Chemical Physics
Volume139
Issue number20
DOIs
StatePublished - 28 Nov 2013

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