Dynamic evolution of nitrogen and oxygen dual-coordinated single atomic copper catalyst during partial oxidation of benzene to phenol

• Published in: Nano research Vol. 15; no. 4; pp. 3017 - 3025
• Main Authors: Chen, Weiming, Jin, Hongqiang, He, Feng, Cui, Peixin, Cao, Changyan, Song, Weiguo
• Format: Journal Article
• Language: English
• Published: Beijing Tsinghua University Press 01.04.2022
• Subjects: Atomic/Molecular Structure and Spectra; Benzene; Biomedicine; Biotechnology; Catalysts; Catalytic oxidation; Chemistry and Materials Science; Condensed Matter Physics; Coordination numbers; Copper; Density functional theory; Evolution; Hydrocarbons; Hydrogen peroxide; Hydroxylation; Materials Science; Mathematical analysis; Nanotechnology; Nitrogen; Oxidation; Oxygen; Phenols; Reaction mechanisms; Research Article; Selectivity; Single atom catalysts; phenol; benzene oxidation; single atom catalyst; dynamic evolution; coordination

Single atom catalysts (SACs) with metal 1 -N x sites have shown promising activity and selectivity in direct catalytic oxidation of benzene to phenol. The reaction pathway is considered to be involving two steps, including a H 2 O 2 molecule dissociated on the metal single site to form the (metal 1...