title: Dual reaction channels for photocatalytic oxidation of phenylmethanol on anatase.
abstract: This work explores thoroughly the reaction network of the partial oxidation of phenylmethanol at the TiO(2)-solvent interface under photocatalytic conditions by using a first-principles continuum solvation method. We demonstrate that the photocatalytic oxidation of phenylmethanol has a complex reaction network with dual pathways. The dimer pathway dominates the mechanism under aerobic conditions and a [C(6)H(5)CH(OH)O](2) peroxo dimer is the key intermediate, the decomposition of which leads to an unusual O exchange phenomenon.
authors.affiliation: Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Department of Chemistry, Ministry of Education, Fudan University, China.
authors.forename: Ye-Fei
authors.initials: YF
authors.lastname: Li
authors.forename: Zhi-Pan
authors.initials: ZP
authors.lastname: Liu