Hwang, Seung Jun Yoo, Sung Jong Shin, Jungho Cho, Yong-Hun Jang, Jong Hyun Cho, Eunae Sung, Yung-Eun Nam, Suk Woo Lim, Tae-Hoon Lee, Seung-Cheol Kim, Soo-Kil 2024-01-20T13:01:40Z 2024-01-20T13:01:40Z 2021-09-01 2013-02-19 2045-2322 https://pubs.kist.re.kr/handle/201004/128353 Core@shell electrocatalysts for fuel cells have the advantages of a high utilization of Pt and the modification of its electronic structures toward enhancement of the activities. In this study, we suggest both a theoretical background for the design of highly active and stable core@shell/C and a novel facile synthetic strategy for their preparation. Using density functional theory calculations guided by the oxygen adsorption energy and vacancy formation energy, Pd3Cu1@Pt/C was selected as the most suitable candidate for the oxygen reduction reaction in terms of its activity and stability. These predictions were experimentally verified by the surfactant-free synthesis of Pd3Cu1/C cores and the selective Pt shell formation using a Hantzsch ester as a reducing agent. In a similar fashion, Pd@Pd4Ir6/C catalyst was also designed and synthesized for the hydrogen oxidation reaction. The developed catalysts exhibited high activity, high selectivity, and 4,000 h of long-term durability at the single-cell level. English NATURE PUBLISHING GROUP OXYGEN REDUCTION ACTIVITY PLATINUM-MONOLAYER SHELL BIMETALLIC COLLOIDS HIGH-STABILITY NANOPARTICLES NANOCRYSTALS SEGREGATION OXIDATION CATALYSTS DESIGN Supported Core@Shell Electrocatalysts for Fuel Cells: Close Encounter with Reality Article 10.1038/srep01309 1 SCIENTIFIC REPORTS, v.3 SCIENTIFIC REPORTS 3 scie scopus 000315083500001 2-s2.0-84874340446 Multidisciplinary Sciences Science & Technology - Other Topics Article OXYGEN REDUCTION ACTIVITY PLATINUM-MONOLAYER SHELL BIMETALLIC COLLOIDS HIGH-STABILITY NANOPARTICLES NANOCRYSTALS SEGREGATION OXIDATION CATALYSTS DESIGN fuel cell electrocatalysts core-shell oxygen reduction reaction hydrogen oxidation reaction