Characterization and reactivity of oxygen-centred radicals over transition metal oxideclusters

Literature Information

Publication Date 2011-01-05
DOI 10.1039/C0CP01171A
Impact Factor 3.676
Authors

Sheng-Gui He, Xun-Lei Ding


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Abstract

We introduce chemical structures and reactivity of oxygen-centred radicals (O−˙) over transition metal oxide (TMO) clusters based on mass spectrometric and density functional theory studies. Two main issues will be discussed: (1) the compositions of TMO clusters that have the bonding characteristics of (or contain) the O−˙ radicals; and (2) the dependences (cluster structures, sizes, charge states, metal types, etc.) of the chemical reactivity and selectivity for the O−˙ radicals over TMO clusters. One of the goals of cluster chemistry is to understand the elementary reactions involved with complex heterogeneous catalysis. The study of the O−˙ containing TMO clusters permits rather detailed descriptions for how mono-nuclear oxygen-centred radicals may exist and react with small molecules over TMO based catalysts.

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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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