Integrated computational chemistry system for the material design of plasma display panel

Akira Miyamoto; Risa Endou; Hiromi Kikuchi; Hideyuki Tsuboi; Michihisa Koyama; Akira Endou; Momoji Kubo; Carlos A. Del Carpio; Hiroshi Kajiyama

Integrated computational chemistry system for the material design of plasma display panel

Akira Miyamoto, Risa Endou, Hiromi Kikuchi, Hideyuki Tsuboi, Michihisa Koyama, Akira Endou, Momoji Kubo, Carlos A. Del Carpio, Hiroshi Kajiyama

Research output: Contribution to conference › Paper › peer-review

5 Citations (Scopus)

Abstract

First-principles calculations suggested that both positive and negative charges accumulated in MgO protecting layer decrease its stability. Moreover, we proposed that Al cation is an effective dopant for the MgO protecting layer, because it increases both the stability and secondary electron emitting ability. Our tight-binding quantum chemical molecular dynamics method revealed that oxygen vacancy decreases the stability of the MgO protecting layer. Finally, we concluded that our integrated computational chemistry system is very effective to design plasma display panel.

Original language	English
Pages	423-426
Number of pages	4
Publication status	Published - 2005
Event	IDW/AD'05 - 12th International Display Workshops in Conjunction with Asia Display 2005 - Takamatsu, Japan Duration: Dec 6 2005 → Dec 9 2005

Other

Other	IDW/AD'05 - 12th International Display Workshops in Conjunction with Asia Display 2005
Country	Japan
City	Takamatsu
Period	12/6/05 → 12/9/05

All Science Journal Classification (ASJC) codes

Engineering(all)

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Integrated computational chemistry system for the material design of plasma display panel. / Miyamoto, Akira; Endou, Risa; Kikuchi, Hiromi; Tsuboi, Hideyuki; Koyama, Michihisa; Endou, Akira; Kubo, Momoji; Del Carpio, Carlos A.; Kajiyama, Hiroshi.

2005. 423-426 Paper presented at IDW/AD'05 - 12th International Display Workshops in Conjunction with Asia Display 2005, Takamatsu, Japan.

Research output: Contribution to conference › Paper › peer-review

Miyamoto, Akira ; Endou, Risa ; Kikuchi, Hiromi ; Tsuboi, Hideyuki ; Koyama, Michihisa ; Endou, Akira ; Kubo, Momoji ; Del Carpio, Carlos A. ; Kajiyama, Hiroshi. / Integrated computational chemistry system for the material design of plasma display panel. Paper presented at IDW/AD'05 - 12th International Display Workshops in Conjunction with Asia Display 2005, Takamatsu, Japan.4 p.

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author = "Akira Miyamoto and Risa Endou and Hiromi Kikuchi and Hideyuki Tsuboi and Michihisa Koyama and Akira Endou and Momoji Kubo and {Del Carpio}, {Carlos A.} and Hiroshi Kajiyama",

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AU - Miyamoto, Akira

AU - Endou, Risa

AU - Kikuchi, Hiromi

AU - Tsuboi, Hideyuki

AU - Koyama, Michihisa

AU - Endou, Akira

AU - Kubo, Momoji

AU - Del Carpio, Carlos A.

AU - Kajiyama, Hiroshi

PY - 2005

Y1 - 2005

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AB - First-principles calculations suggested that both positive and negative charges accumulated in MgO protecting layer decrease its stability. Moreover, we proposed that Al cation is an effective dopant for the MgO protecting layer, because it increases both the stability and secondary electron emitting ability. Our tight-binding quantum chemical molecular dynamics method revealed that oxygen vacancy decreases the stability of the MgO protecting layer. Finally, we concluded that our integrated computational chemistry system is very effective to design plasma display panel.

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