Lee, Sehyun Jung, Jae Young Jang, Injoon Choi, Daeil Lee, Myeong Jae Lee, Dong Wook Jang, Jue-Hyuk Lee, Jeong Hee Jin, Haneul Im, Kyungmin Lee, Eungjun Kim, Seung-hoon Kim, Nam Dong Lee, Soo-Hyoung Kang, Yun Sik Park, Hee-Young Chun, Dongwon Ham, Hyung Chul Lee, Kug-Seung Ahn, Docheon Kim, Pil Yoo, Sung Jong 2024-01-19T15:03:47Z 2024-01-19T15:03:47Z 2021-09-02 2021-04 1616-301X https://pubs.kist.re.kr/handle/201004/117242 Among the Pt group metals, Pd has been considered the most efficient for application in electrocatalysts as an alternative to Pt. Despite the comparable electrochemical activities of Pd and Pd-metal alloys, they are vulnerable to liquid acidic electrolytes, leading to degradation of catalytic activity. Pd-Ni alloys have been used to enhance catalytic activity because the electronic structure of Pd can be easily changed by adding Ni. In other studies, N atoms have been introduced for more stable M-Ni catalysts by inducing the formation of Ni4N species; however, the structural analysis and the role of nitrogen have not been fully understood yet. Herein, the Pd-Ni alloy nitride with a unique crystal structure shows a promising catalytic activity for oxygen reduction reaction (ORR). The nitride PdNi nanoparticles have a novel monolithic antiperovskite structure of chemical formula (PdxNi1-x)NNi3. The unique antiperovskite crystal (PdxNi1-x)NNi3 possesses superior ORR activity and stability, originating from the downshifted d-band center of the monolayer Pd/antiperovskite surface and the lower formation energy of the antiperovskite core nanocrystal. Consequently, (PdxNi1-x)NNi3, as a Pt-free Pd-based electrocatalyst, overcomes the stability issue of Pd under acidic conditions by achieving 99-times higher mass activity than commercial Pd/C, as shown by the durability test. English WILEY-V C H VERLAG GMBH Anion Constructor for Atomic-Scale Engineering of Antiperovskite Crystals for Electrochemical Reactions Article 10.1002/adfm.202009241 1 ADVANCED FUNCTIONAL MATERIALS, v.31, no.16 ADVANCED FUNCTIONAL MATERIALS 31 16 scie scopus 000612739500001 2-s2.0-85099860237 Chemistry, Multidisciplinary Chemistry, Physical Nanoscience & Nanotechnology Materials Science, Multidisciplinary Physics, Applied Physics, Condensed Matter Chemistry Science & Technology - Other Topics Materials Science Physics Article acidic media atomic-scale engineering electrocatalysis electrochemical reactions palladium alloys