University of the Ryukyus · Faculty of Science · 准教授

Research keywords分子科学・有機半導体・有機・金属界面・表面・界面物性・first-principles electronic structure calculations・量子化学・第一原理計算・密度汎関数理論・GW近似・ファンデルワールス相互作用

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• Fingerprinting weak electronic interaction at a van der Waals interface: Fano signatures in a pentacene monolayer on graphite2025 · Yuri Hasegawa, Takuma Yamaguchi, Matthias Meissner, Takahiro Ueba, Fabio Bussolotti, Shin-ichiro Ideta, Kiyohisa Tanaka, Susumu Yanagisawa, Satoshi Kera
• Proving weak electronic interaction between molecules and substrate: a study of pentacene monolayer on graphite2023 · The impact of van der Waals interaction on the electronic structure between a pentacene monolayer and a graphite surface was investigated. Upon cooling the monolayer, newly formed dispersive bands, showing the constant final state nature overlapping with the non-dispersive, discrete molecular orbital state, is observed by low-energy angle-resolved photoelectron spectroscopy. The dispersive band consists of positive and negative intensities depending on the final state energy, indicating Fano resonance involving a discrete molecular state that couples a continuum state upon photoionization. A wave-function overlap is demonstrated according to their larger spread in unoccupied states even at the weakly bounded interface by Fano spectral analysis.
• Density Functional Theory-Based Molecular Modeling: Verification of Decisive Roles of Van der Waals Aggregation of Triiodide Ions for Effective Electron Transfer in Wet-Type N3-Dye-Sensitized Solar Cells2020 · 柳澤 将
• A long-range-corrected time-dependent density functional theory

• 有機-金属界面での準位接続の精密予測に向けたGW近似プログラムの開発（国際共同研究強化）2016 · 国際共同研究加速基金(国際共同研究強化)
• 計画研究「有機半導体の活性サイトの理論」2014 · 新学術領域研究
• 精密な構造決定・バンド計算による有機結晶でのキャリア輸送の理論的研究2014 · 若手研究(B)
• 有機分子間の相互作用に誘起された電子物性の理論的解明・制御

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