| Budget Amount *help |
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2016: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2015: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2014: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
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| Outline of Final Research Achievements |
Dispersion force-corrected density functional theory (DFT) calculations reveled that structures of pi-conjugated molecules inside a carbon nanotube depend on tube diameter. Here, oligothiophene and oligofuran, as well as p,p’－dimethylaminonitrostilbene (DANS) were considered as pi-conjugated molecules. We found that orientation of pi conjugated molecules determines absorption and second-order nolinear optical properties. Accordingly, such optical properties of inner pi-conjugated molecules can be modulated by diameter of tube-hosts. The DFT findings can provide a nice clue to design nanotube-based materials exhibit visible-light response.
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