期刊
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
卷 59, 期 28, 页码 11647-11652出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.202004966
关键词
acetylene; heterogeneous catalysis; Ni-Ga intermetallic catalyst; semi-hydrogenation; site regulation
资金
- Natural Science Foundation of China [21922803, 21776077]
- Natural Science Foundation of Shanghai [17ZR1407300]
- Program for Professor of Special Appointment (Eastern Scholar) at Shanghai Institutions of Higher Learning, the Shanghai Rising-Star Program [17QA1401200]
- Fundamental Research Funds for the Central Universities [222201718003]
- Open Project of State Key Laboratory of Chemical Engineering [SKL-Che-15C03]
- US National Science Foundation [CHE-1953843]
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 pi-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 Ni5Ga3 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.
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