Dual reaction channels for photocatalytic oxidation of phenylmethanol on anatase

Literature Information

Publication Date 2012-11-22
DOI 10.1039/C2CP44137C
Impact Factor 3.676
Authors

Ye-Fei Li, Zhi-Pan Liu


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Abstract

This work explores thoroughly the reaction network of the partial oxidation of phenylmethanol at the TiO2–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 [C6H5CH(OH)O]2 peroxo dimer is the key intermediate, the decomposition of which leads to an unusual O exchange phenomenon.

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DOI: 10.1039/CS99625BX019

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DOI: 10.1039/B7RP90011B

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DOI: 10.1039/CS99524FP003

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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