Investigation on the Reaction Mechanism of Methane Oxidation over MgAl2O4‐Supported Single‐Atom Catalyst Prepared at High Temperature

• DOI: 10.1002/cctc.202200919
• Publication Date: 2022-09-16T14:00:21Z
• Authors: Qiang Wan; Hengyu Li; Sixu Liu; Zhun Zhang; Haifeng Xiong; Sen Lin
• Keywords: Oxidizing agent; Reactivity; Noble metal

Abstract Stability and reactivity of single‐atom catalysts (SACs) are the points concern in catalysis, especially under harsh conditions, such as at elevated temperatures oxidizing conditions. Previous work showed that thermally stable Pt 1 SAC supported on K‐modified MgAl 2 O 4 prepared by a vapor‐phase self‐assembly mechanism (Pt /K/MgAl ) better performance than Pt/MgAl nanocatalyst catalytic CH oxidation ( Chem , 2022, 8, 731–748). However, detailed reaction remains unclear, which preventing further development for oxidation. Herein, sintering resistance behaviour catalyst, was investigated means density functional theory (DFT) calculations, it found takes place via Mars‐van Krevelen (MvK) mechanism, similar to conventional oxides. This viewpoint is verified experiments. Additionally, other noble metals (Au, Ir Ru) alkali elements (Na Cs) also types affect performance. clarifies metal synthesized high temperature, providing chance manipulate performances