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Antiperovskite Intermetallic Nanoparticles for Enhanced Oxygen Reduction
Author(s) -
Zhang Hao,
Xia Wei,
Shen Haoming,
Guo Wenhan,
Liang Zibin,
Zhang Kexin,
Wu Yingxiao,
Zhu Bingjun,
Zou Ruqiang
Publication year - 2020
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201911943
Subject(s) - antiperovskite , catalysis , intermetallic , nanomaterials , materials science , nanoparticle , chemical engineering , oxygen , chemistry , inorganic chemistry , nanotechnology , alloy , nitride , metallurgy , organic chemistry , layer (electronics) , engineering
Antiperovskite Co 3 InC 0.7 N 0.3 nanomaterials with highly enhanced oxygen reduction reaction (ORR) performance were prepared by tuning nitrogen contents through a metal–organic framework (MOF)‐derived strategy. The nanomaterial surpasses all reported noble‐metal‐free antiperovskites and even most perovskites in terms of onset potential (0.957 V at J =0.1 mA cm −2 ) and half‐wave potential (0.854 V). The OER and zinc–air battery performance demonstrate its multifunctional oxygen catalytic activities. DFT calculation was performed and for the first time, a 4 e − dissociative ORR pathway on (200) facets of antiperovskite was revealed. Free energy studies showed that nitrogen substitution could strengthen the OH desorption as well as hydrogenation that accounts for the enhanced ORR performance. This work expands the scope for material design via tailoring the nitrogen contents for optimal reaction free energy and hence performance of the antiperovskite system.