催化作用
乙烯
环氧乙烷
化学
选择性
氧化物
反应机理
密度泛函理论
光化学
材料科学
无机化学
有机化学
计算化学
聚合物
共聚物
作者
Tiancheng Pu,Huijie Tian,Michael E. Ford,Srinivas Rangarajan,Israel E. Wachs
出处
期刊:ACS Catalysis
[American Chemical Society]
日期:2019-10-18
卷期号:9 (12): 10727-10750
被引量:217
标识
DOI:10.1021/acscatal.9b03443
摘要
Ethylene oxidation by Ag catalysts has been extensively investigated over the past few decades, but many key fundamental issues about this important catalytic system are still unresolved. This overview of the selective oxidation of ethylene to ethylene oxide by Ag catalysts critically examines the experimental and theoretical literature of this complex catalytic system: (i) the surface chemistry of silver catalysts (single crystal, powder/foil, and supported Ag/α-Al2O3), (ii) the role of promoters, (iii) the reaction kinetics, (iv) the reaction mechanism, (v) density functional theory (DFT), and (vi) microkinetic modeling. Only in the past few years have the modern catalysis research tools of in situ/operando spectroscopy and DFT calculations been applied to begin establishing fundamental structure–activity/selectivity relationships. This overview of the ethylene oxidation reaction by Ag catalysts covers what is known and what issues still need to be determined to advance the rational design of this important catalytic system.
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