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A comparative study on the interaction between tin(II) porphyrin and selected group 8B metals for potential application as reduction catalysts
Authors:E. S. Dy  H. Kasai
Affiliation:(1) Department of Precision Science and Technology and Applied Physics, Osaka University, Suita City, Osaka 565-0871, Japan
Abstract:We study the interaction between tin(II) porphyrin (SnPor) with platinum and non-precious Group 8B metals (iron, cobalt and nickel) by density functional theory and discuss the electronic properties of the resulting products. We also model the interaction of the resulting compounds with water where applicable. Our studies indicate that, SnPor-Ni possesses electronic properties similar to SnPor-Pt, suggesting that it may possess similar photocatalytic properties for reduction reactions, such as converting water to hydrogen gas.
Keywords:72.80.Ga Transition-metal compounds  73.22.-f Electronic structure of nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals
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