Rationalizing the promotional effect of Mn oxides in benzene combustion using an O 2p-band center descriptor.

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.