Rationalizing the promotional effect of Mn oxides in benzene combustion using an O 2p-band center descriptor. Issue 40 (20th April 2021)

• Record Type: Journal Article
• Authors: Wang, Lipeng; Huang, Zhiwei; Du, Yueyao; Guo, Sufeng; Jing, Guohua
• Is Part Of: Chemical communications. Volume 57:Issue 40(2021)
• Page Start: 4942
• Page End: 4945
• Publication Date: 2021-04-20
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1039/d1cc00912e
• Languages: English
• ISSNs: 1359-7345

Abstract

Abstract : The O 2p-band center was used to rationalize the effect of electronic features that have been identified to be relevant for the reactivity and reducibility of transition metal oxides. Abstract : Our work sheds light on using the O 2p-band center as a useful electronic descriptor for understanding the variations in catalytic reducibility of transition metal oxides (TMOs) and the promotional effect of MnO2 during catalytic benzene combustion. The "volcano"-type activity plot, in conjunction with the reduction characteristic of the TMOs, ultimately reflects the Sabatier principle, which states that a good catalyst ( i.e., MnO2 ) balances the capability of oxygen abstraction and uptake in the case of benzene combustion.