Fe-doped α-MnO2 nanorods for catalytic removal of NOx and chlorobenzene: The relationship between lattice distortion and catalytic redox properties
Controllably tuning redox performance is one of the key targets in catalysis. Doping is one of the widely used methods to tune the performance of nanoparticles. However, the inﬂuence of dopants is generally focused on the effects of the dopant sites or nearby sites without considering the bulk distortion. In this work, the Fe-doped α-MnO2 nanorods is investigated combining experimental studies with DFT calculations to further understand the relationship between lattice distortion induced by Fe doping and catalytic redox properties, and the bulk influence of substitutional doping and the disruption to chemical bonding are thoroughly evaluated. It is demonstrated that the embedding of Fe yields a (t2g)3(eg)1 conﬁgure of Mn3+, which distorts anisotropically the α-MnO2 lattice and signiﬁcantly increases the Mn-O bond length along local z direction. Accordingly, the lattice oxygen bonding with manganese is weakened and becomes more active in oxidation reactions. Two important environmental catalysis process including NO and chlorobenzene removal are thus promoted.