| 研究実績の概要 |
In this year we have continued our study focused on the systematic investigation of the structural and morphology effects on catalytic activity of gold clusters and performed a systematic investigation on structural transformations in small neutral gold clusters (Au3－Au12) induced by O2 adsorption, with the use of the fully automated reaction path search techniques, i.e., anharmonic downward distortion following (ADDF) and artificial force induced reaction (AFIR) methods, implemented in the global reaction route mapping (GRRM) program. We have finalized investigation of the interface effects in hydrogen elimination reaction from isopropanol by Ni13 cluster on Al2O3 surface. The described mechanism provides fundamental understanding of the process of the oxidant-free catalytic hydrogen elimination from alcohols on supported nickel clusters. We have continued our study of reactivity of the functionalized boron nitride nanosheets (BNNS) for hydrogen evolution reaction (HER) and oxygen reduction reaction (ORR). It is demonstrated that electrochemical HER proceeds very efficiently at Au electrode, an inert substrate for HER, modified with BNNS, an insulator. It has been also demonstrated that BNNS can serve for outstanding protection of Cu in salt water from corrosion however defective BNNS can accelerate the reaction of Cu toward water due do water dissociation at the perimeter interface area between the edges of BNNS islands and Cu surface.
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