한국정보디스플레이학회:학술대회논문집

한국정보디스플레이학회 (The Korean Infomation Display Society)
권호 표지

Quantum Chemical Molecular Dynamics and Kinetic Monte Carlo Approach to the Design of MgO Protecting Layer in Plasma Display Panel

  • Kubo, Momoji (Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, PRESTO, Japan Science and Technology Agency) ;
  • Kikuchi, Hiromi (Department of Applied Chemistry, Graduate School of Engineering, Tohoku University) ;
  • Tsuboi, Hideyuki (Department of Applied Chemistry, Graduate School of Engineering, Tohoku University) ;
  • Koyama, Michihisa (Department of Applied Chemistry, Graduate School of Engineering, Tohoku University) ;
  • Endou, Akira (Department of Applied Chemistry, Graduate School of Engineering, Tohoku University) ;
  • Carpio, Carlos A. Del (Department of Applied Chemistry, Graduate School of Engineering, Tohoku University) ;
  • Kajiyama, Hiroshi (Institute of Industrial Science, University of Tokyo) ;
  • Miyamoto, Akira (Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, New Industry Creation Hatchery Center, Tohoku University)
  • 발행 : 2006.08.22
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초록

We developed new quantum chemical molecular dynamics and kinetic Monte Carlo programs to simulate the destruction processes of MgO protecting layer in plasma display panel. Our simulation results proposed that MgO(111) surface with nano-dot structures covered by (001) facets has the highest stability, which is against the previous knowledge. The formation of nano-dot structures on the MgO(111) surface covered by (001) facets was found to be the reason for the high stability of the MgO(111) surface. Furthermore, the effect of grain boundary on the stability of MgO surfaces was also clarified.

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