5 years ago

Computational Study on M1/POM Single-Atom Catalysts (M = Cu, Zn, Ag, and Au; POM = [PW12O40]3–): Metal–Support Interactions and Catalytic Cycle for Alkene Epoxidation

Computational Study on M1/POM Single-Atom Catalysts (M = Cu, Zn, Ag, and Au; POM = [PW12O40]3–): Metal–Support Interactions and Catalytic Cycle for Alkene Epoxidation
Meng-Xu Jiang, Zhong-Min Su, Chun-Guang Liu
Geometrical structures, metal−support interactions, and infrared spectroscopy of the series of M1/POM (M = Cu, Zn, Ag, and Au; POM = [PW12O40]3−) single-atom catalysts (SACs), and catalytic cycle for alkene epoxidation catalyzed by M1/POM SACs were studied using density functional theory calculations.

Publisher URL: http://dx.doi.org/10.1021/acs.inorgchem.7b01480

DOI: 10.1021/acs.inorgchem.7b01480

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