| Budget Amount *help |
¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Fiscal Year 2019: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2018: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2017: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
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| Outline of Final Research Achievements |
The reaction mechanisms of the soft Lewis acid catalytic activity over noble metal clusters and noble metal supported cluster catalysts were theoretically examined.
The isomerization of 3,4-DABE in isolated clusters was investigated by changing the cluster size and their charges. The activation barrier for the catalytic reaction was generally lower in positively charged clusters than neutral clusters. In particular, theoretical calculations revealed that there is a clear correlation that the activation barrier decreases as the magnitude of the positive charge of the metal atom of the adsorption site increases. When the clusters are supported by metal oxides, the activation barrier at the interfacial noble metal atom sites is relatively low even in the neutral model system.
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