Hwang, Seung Jun Kim, Soo-Kil Lee, June-Gunn Lee, Seung-Cheol Jang, Jong Hyun Kim, Pil Lim, Tae-Hoon Sung, Yung-Eun Yoo, Sung Jong 2024-01-20T13:30:51Z 2024-01-20T13:30:51Z 2021-09-05 2012-12-05 0002-7863 https://pubs.kist.re.kr/handle/201004/128558 The design of electrocatalysts for polymer electrolyte membrane fuel cells must satsify two equally important fundamental principles: optimization of electrocatalytic activity and long-term stability in acid media (pH <1) at high potential (0.8 V). We report here a solution-based approach to the preparation of Pt-based alloy with early transition metals and realistic parameters for the stability and activity of Pt3M (M = Y, Zr, Ti, Ni, and Co) nanocatalysts for oxygen reduction reaction (ORR). The enhanced stability and activity of Pt-based alloy nanocatalysts in ORR and the relationship between electronic structure modification and stability were studied by experiment and DFT calculations. Stability correlates with the d-band fillings and the heat of alloy formation of Pt3M alloys, which in turn depends on the degree of the electronic perturbation due to alloying. This concept provides realistic parameters for rational catalyst design in Pt-based alloy systems. English AMER CHEMICAL SOC DENSITY-FUNCTIONAL THEORY SURFACE-COMPOSITION PLATINUM ELECTROCATALYSIS CATALYST DISSOLUTION TRENDS METAL ELECTROREDUCTION SPECTROSCOPY Role of Electronic Perturbation in Stability and Activity of Pt-Based Alloy Nanocatalysts for Oxygen Reduction Article 10.1021/ja307951y 1 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.134, no.48, pp.19508 - 19511 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 134 48 19508 19511 scie scopus 000311869600003 2-s2.0-84870684754 Chemistry, Multidisciplinary Chemistry Article DENSITY-FUNCTIONAL THEORY SURFACE-COMPOSITION PLATINUM ELECTROCATALYSIS CATALYST DISSOLUTION TRENDS METAL ELECTROREDUCTION SPECTROSCOPY fuel cell alloy catalysts stability oxygen reduction reaction