Regulating the coordination structure of single-atom Fe-N_xC_y catalytic sites for benzene oxidation.

ABSTRACT: Atomically dispersed metal-N-C structures are efficient active sites for catalyzing benzene oxidation reaction (BOR). However, the roles of N and C atoms are still unclear. We report a polymerization-regulated pyrolysis strategy for synthesizing single-atom Fe-based catalysts, and present a systematic study on the coordination effect of Fe-N_xC_y catalytic sites in BOR. The special coordination environment of single-atom Fe sites brings a surprising discovery: Fe atoms anchored by four-coordinating N atoms exhibit the highest BOR performance with benzene conversion of 78.4% and phenol selectivity of 100%. Upon replacing coordinated N atoms by one or two C atoms, the BOR activities decrease gradually. Theoretical calculations demonstrate the coordination pattern influenc

SUBMITTER: Pan Y 

PROVIDER: S-EPMC6753116 | biostudies-literature | 2019 Sep

REPOSITORIES: biostudies-literature