Molecular Design and Research of the Electronic Properties of Polymers Based on Element-Blocks

2016 Fiscal Year Final Research Report

• Project Area: Creation of Element-Block Polymer Materials
• Project/Area Number: 24102014
• Research Category: Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
• Allocation Type: Single-year Grants
• Review Section: Science and Engineering
• Research Institution: Kyoto University
• Principal Investigator: TANAKA KAZUYOSHI 京都大学, 福井謙一記念研究センター, 研究員 (90155119)
• Co-Investigator(Kenkyū-buntansha): 笛野 博之 京都大学, 工学(系)研究科(研究院), 助教 (30212179)
• Project Period (FY): 2012-06-28 – 2017-03-31
• Keywords: 電子状態 / 電子物性 / 高分子 / 量子化学 / 理論化学 / 計算化学 / 量子機能材料

Outline of Final Research Achievements

Simulation based on the theoretical chemistry was performed with respect to polymers containing element blocks and information on the electronic structures of those was afforded for the intragroup and intergroup collaborations throughout this Scientific Research on Innovative Areas. Analyses of the fundamental electronic states have been successfully carried on with the use of both molecular orbital and crystal orbital calculations and search and conjecture on electronic property and function have been effectively attempted as well. By doing these, active assistance has been provided with from the theoretical aspects for the whole researches on creation of polymer materials containing elemental blocks as well.

Free Research Field

物理化学