Science of carbon allotrope structures with 3-fold symmetric polyhedral pi conjugated molecules

2021 Fiscal Year Final Research Report

• Project/Area Number: 19K15520
• Research Category: Grant-in-Aid for Early-Career Scientists
• Allocation Type: Multi-year Fund
• Review Section: Basic Section 32020:Functional solid state chemistry-related
• Research Institution: Nagoya University
• Principal Investigator: Yoshiaki Shuku 名古屋大学, 教養教育院, 講師 (90816216)
• Project Period (FY): 2019-04-01 – 2022-03-31
• Keywords: 分子性ハニカム構造 / バンド構造

Outline of Final Research Achievements

The purpose of this study is to develop the unique physics of sp2 carbon allotropes like graphene by using molecules as building blocks. We have obtained highly symmetric 2D network structures of 3-fold symmetric triptycene derivatives. Systematic band calculations on these crystal structures revealed that the doubly degenerated molecular orbitals of symmetric triptycene derivatives can provide the flat band in addition to the Dirac cone.

Free Research Field

物性化学

Academic Significance and Societal Importance of the Research Achievements

立体π共役系に着目し、実験的に幾何学的な結晶構造の構築法の開拓を、理論計算からその構造に基づく特徴的な電子構造の理解を進めた本研究の成果は、物性研究や材料科学において分子の形に基づく結晶配列や多段階の酸化還元能に基づくバンドフィリング制御という研究指針を示したもので、近年注目を集める炭素同素体構造の物性開拓に資する結果と考えられる。