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Adsorption Site Regulation to Guide Atomic Design of Ni–Ga Catalysts for Acetylene Semi‐Hydrogenation
Author(s) -
Cao Yueqiang,
Zhang Hao,
Ji Shufang,
Sui Zhijun,
Jiang Zheng,
Wang Dingsheng,
Zaera Francisco,
Zhou Xinggui,
Duan Xuezhi,
Li Yadong
Publication year - 2020
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.202004966
Subject(s) - catalysis , intermetallic , acetylene , selectivity , adsorption , ethylene , desorption , materials science , nickel , atomic absorption spectroscopy , inorganic chemistry , chemical engineering , chemistry , metallurgy , organic chemistry , alloy , physics , quantum mechanics , engineering
Atomic regulation of metal catalysts has emerged as an intriguing yet challenging strategy to boost product selectivity. Here, we report a density functional theory‐guided atomic design strategy for the fabrication of a NiGa intermetallic catalyst with completely isolated Ni sites to optimize acetylene semi‐hydrogenation processes. Such Ni sites show not only preferential acetylene π‐adsorption, but also enhanced ethylene desorption. The characteristics of the Ni sites are confirmed by multiple characterization techniques, including aberration‐corrected high‐resolution scanning transmission electron microscopy and X‐ray absorption spectrometry measurements. The superior performance is also confirmed experimentally against a Ni 5 Ga 3 intermetallic catalyst with partially isolated Ni sites and against a Ni catalyst with multi‐atomic ensemble Ni sites. Accordingly, the NiGa intermetallic catalyst with the completely isolated Ni sites shows significantly enhanced selectivity to ethylene and suppressed coke formation.