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제106회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Quantum chemical study of the OLED materials tris[4’-(1”-phenylbenzimidazol-2”-yl)phenyl] derivatives of amine and benzene

등록일
2010년 8월 31일 11시 34분 29초
접수번호
1550
발표코드
Ⅲ-PHYS.P-228 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
금 <발표Ⅲ>
발표형식
포스터
발표분야
물리화학
저자 및
공동저자
황태규, 이성렬1
경희대학교 화학과, Korea
1경희대학교 응용화학과, Korea
Recently, OLED(Organic Light Emitting Diode) has noticed for alternation intensive LCD industry (to fix display and sensors). It has the advantage of cheapness, simple process and compatibility with good mobility materials. In this report, we investigate Alq3{Tris(8-hydroxyquinoline)-aluminum(Ⅲ)}, which is most popular using material by using DFT(TD-DFT) and CIS methods. We reveal that the calculated absorption/emission spectrums are good agreement with experimental result (error ≤ ~10%). For searching the blue color materials, which is the most difficult problem, we also investigate the geometrical structures of ground and excited states, and the absorption/emission spectrums about TPBPA and TPBPB. The calculated absorption/emission wavelengths of TPBPA are 384 and 415 nm, respectively. These are agreement with experimental spectrums (368 and 427 nm). Also about TPBPB, The calculated results, which are 329 (absorption) and 379 nm (emission), are excellent agreement with experimental results (316 and 383 nm). These experiences are expected to contribute the development of the OLED emission materials.

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