한국정보디스플레이학회:학술대회논문집

The Korean Infomation Display Society (한국정보디스플레이학회)
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Trans-disciplinary Approach to Molecular Modeling and Experiment in PDP Materials

  • Takaba, Hiromitsu (Dept. of Chemical Engineering, Graduate School of Engineering, Tohoku Univ.) ;
  • Serizawa, Kazumi (Dept. of Applied Chemistry, Graduate School of Engineering, Tohoku Univ.) ;
  • Onuma, Hiroaki (Dept. of Applied Chemistry, Graduate School of Engineering, Tohoku Univ.) ;
  • Kikuchi, Hiromi (Dept. of Applied Chemistry, Graduate School of Engineering, Tohoku Univ.) ;
  • Suzuki, Ai (New Industry Creation Hatchery Center, Tohoku Univ.) ;
  • Sahnoun, Riadh (Dept. of Chemical Engineering, Graduate School of Engineering, Tohoku Univ.) ;
  • Koyama, Michihisa (Dept. of Chemical Engineering, Graduate School of Engineering, Tohoku Univ.) ;
  • Tsuboi, Hideyuki (Dept. of Applied Chemistry, Graduate School of Engineering, Tohoku Univ.) ;
  • Hatakeyama, Nozomu (Dept. of Applied Chemistry, Graduate School of Engineering, Tohoku Univ.) ;
  • Endou, Akira (Dept. of Applied Chemistry, Graduate School of Engineering, Tohoku Univ.) ;
  • Carpio, Carlos A. Del (Dept. of Applied Chemistry, Graduate School of Engineering, Tohoku Univ.) ;
  • Kubo, Momoji (Fracture and Reliability Research Institute, Graduate School of Engineering, Tohoku Univ.) ;
  • Kajiyama, Hiroshi (Dept. of Semiconductor Electronics and Integration Science, Hiroshima Univ.) ;
  • Miyamoto, Akira (New Industry Creation Hatchery Center, Tohoku Univ.)
  • Published : 2008.10.13
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Abstract

We developed ultra-accelerated quantum chemical molecular dynamics and spectroscopic characterization simulators for development of PDP materials. By combination of these simulators, realistic structure of PDP materials is drawn on the computer. Furthermore, based on the structures, various properties such as cathode luminescence spectrum and secondary electron emission, is successfully evaluated. The strategy of "Experiment integrated Computational Chemistry" using developed simulators will presented that has the potential in being powerful tool for designing the PDP materials.

Keywords