Ultra accelerated molecular dynamics study on electronic structure and luminous efficacy of PDP protecting layer

  • Takaba, Hiromitsu (Dept. of Chemical Engineering, Graduate School of Engineering, Tohoku Univ.) ;
  • Serizawa, Kazumi (Dept. of Applied Chemistry, Graduate School of Engineering, Tohoku Univ.) ;
  • Suzuki, Ai (New Industry Creation Hatchery Center, 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.) ;
  • 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.)
  • 발행 : 2009.10.12

초록

We developed ultra-accelerated quantum chemical molecular dynamics and characterization simulators for study and design of plasma display panel (PDP) related materials. By use of these simulators, realistic structure of PDP materials is drawn on the computer. Furthermore, based on the structures, various properties such as secondary electron emission coefficient are successfully evaluated. In this report, we will discuss the theoretical secondary electron emission coefficient for several protecting layer materials and the effect of surface structure on the properties based on the result of atomistic simulations.

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