https://doi.org/10.1140/epjd/e2006-00209-9
A comparative study on the interaction between tin(II) porphyrin and selected group 8B metals for potential application as reduction catalysts
Department of Precision Science and Technology and Applied Physics, Osaka University, Suita City, Osaka, 565-0871, Japan
Corresponding author: a kasai@dyn.ap.eng.osaka-u.ac.jp
Received:
2
June
2006
Published online:
15
September
2006
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.
PACS: 72.80.Ga – Transition-metal compounds / 73.22.-f – Electronic structure of nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2006
