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Ham HC, Manogaran D, Lee KH, et al. Communication: Enhanced oxygen reduction reaction and its underlying mechanism in Pd-Ir-Co trimetallic alloys. J Chem Phys. 2013;139(20):201104doi: 10.1063/1.4837176.
Ham, H. C., Manogaran, D., Lee, K. H., Kwon, K., Jin, S. A., You, D. J., Pak, C., & Hwang, G. S. (2013). Communication: Enhanced oxygen reduction reaction and its underlying mechanism in Pd-Ir-Co trimetallic alloys. The Journal of chemical physics, 139(20), 201104. https://doi.org/10.1063/1.4837176
Ham, Hyung Chul, et al. "Communication: Enhanced oxygen reduction reaction and its underlying mechanism in Pd-Ir-Co trimetallic alloys." The Journal of chemical physics vol. 139,20 (2013): 201104. doi: https://doi.org/10.1063/1.4837176
Ham HC, Manogaran D, Lee KH, Kwon K, Jin SA, You DJ, Pak C, Hwang GS. Communication: Enhanced oxygen reduction reaction and its underlying mechanism in Pd-Ir-Co trimetallic alloys. J Chem Phys. 2013 Nov 28;139(20):201104. doi: 10.1063/1.4837176. PMID: 24289337.
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J Chem Phys. 2013 Nov 28;139(20):201104. doi: 10.1063/1.4837176.

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

The Journal of chemical physics

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

Affiliations

  1. Department of Chemical Engineering, The University of Texas at Austin, Austin, Texas 78712, USA.

PMID: 24289337 DOI: 10.1063/1.4837176

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.

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