Molecular spin-switch for effective electron-hole separation at hybrid interfaces for application in photocatalysis

2017 年度 実績報告書

• 研究課題/領域番号: 16K17946
• 研究機関: 九州大学
• 研究代表者: 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)
• 研究期間 (年度): 2016-04-01 – 2018-03-31
• キーワード: simulation

研究実績の概要

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.