Design of high-performance organic semiconductors based on first-principles quantum transport theory

• Project/Area Number: 25K00932
• Research Category: Grant-in-Aid for Scientific Research (B)
• Allocation Type: Multi-year Fund
• Section: 一般
• Review Section: Basic Section 13020:Semiconductors, optical properties of condensed matter and atomic physics-related
• Research Institution: University of Tsukuba
• Principal Investigator: 小林 伸彦 筑波大学, 数理物質系, 教授 (10311341)
• Project Period (FY): 2025-04-01 – 2029-03-31
• Project Status: Granted (Fiscal Year 2025)
• Budget Amount: ¥18,720,000 (Direct Cost: ¥14,400,000、Indirect Cost: ¥4,320,000); Fiscal Year 2028: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000); Fiscal Year 2027: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000); Fiscal Year 2026: ¥3,770,000 (Direct Cost: ¥2,900,000、Indirect Cost: ¥870,000); Fiscal Year 2025: ¥13,130,000 (Direct Cost: ¥10,100,000、Indirect Cost: ¥3,030,000)
• Keywords: 有機半導体

Outline of Research at the Start

申請者らが開発・整備してきた第一原理電子状態・電気伝導計算法を主な方法論として有機半導体の高性能化のための理論設計指針作成を行い、無機半導体に適用されてきた従来型の輸送理論とは異なる、弱いファンデルワールス結合による有機半導体に対する学術的な基礎理論に基づく理論解析基盤の整備と高性能有機材料設計を行う。