2017 Fiscal Year Annual Research Report
Molecular spin-switch for effective electron-hole separation at hybrid interfaces for application in photocatalysis
| Project/Area Number |
16K17946
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| Research Institution | Kyushu University |
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Principal Investigator |
ステイコフ アレクサンダー 九州大学, カーボンニュートラル・エネルギー国際研究所, 准教授 (80613231)
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| Project Period (FY) |
2016-04-01 – 2018-03-31
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| Keywords | simulation |
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| Outline of Annual Research Achievements |
During the last year of the research I have calculated the interaction of KTaO3 with Cr-TPP, two Cr-TPP molecules, and Cr-TPP and Pt surface. I have discovered that there is gradation of the work functions starting from 2.3 eV for KTaO3, 3.79 eV for Cr 2+ Cr-TPP, 4.6 eV for Cr 3+ Cr-TPP, and finally 5.6 eV for Pt. Thus, the heterojunction KrTaO3/Cr-TPP/Cr-TPP/Pt represents a natural cascade for electrons from the oxide to the Pt. The Cr 3+ / Cr 2+ pair in the Cr-TPP systems play a role of electrochemical pumping of electrons from the oxide to the Pt. One paper is in preparation.
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