Quantum chemical molecular dynamics and kinetic Monte Carlo approach to the design of MgO protecting layer in plasma display panel

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

Quantum chemical molecular dynamics and kinetic Monte Carlo approach to the design of MgO protecting layer in plasma display panel

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

IMR - Materials Design Division

Research output: Contribution to journal › Conference article › peer-review

Abstract

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.

Original language	English
Pages (from-to)	371-374
Number of pages	4
Journal	Proceedings of International Meeting on Information Display
Volume	2006
Publication status	Published - 2006
Event	IMID/IDMC 2006: 6th Internaional Meeting on Information Display and the 5th International Display Manufacturing Conference - Daegu, Korea, Republic of Duration: 2006 Aug 22 → 2006 Aug 25

Cite this

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title = "Quantum chemical molecular dynamics and kinetic Monte Carlo approach to the design of MgO protecting layer in plasma display panel",

abstract = "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.",

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

year = "2006",

language = "English",

volume = "2006",

pages = "371--374",

journal = "Proceedings of International Meeting on Information Display",

issn = "1738-7558",

note = "IMID/IDMC 2006: 6th Internaional Meeting on Information Display and the 5th International Display Manufacturing Conference ; Conference date: 22-08-2006 Through 25-08-2006",

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TY - JOUR

T1 - Quantum chemical molecular dynamics and kinetic Monte Carlo approach to the design of MgO protecting layer in plasma display panel

AU - Kubo, Momoji

AU - Kikuchi, Hiromi

AU - Tsuboi, Hideyuki

AU - Koyama, Michihisa

AU - Endou, Akira

AU - Del Carpio, Carlos A.

AU - Kajiyama, Hiroshi

AU - Miyamoto, Akira

PY - 2006

Y1 - 2006

N2 - 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.

AB - 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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UR - http://www.scopus.com/inward/citedby.url?scp=33846125607&partnerID=8YFLogxK

M3 - Conference article

AN - SCOPUS:33846125607

SN - 1738-7558

VL - 2006

SP - 371

EP - 374

JO - Proceedings of International Meeting on Information Display

JF - Proceedings of International Meeting on Information Display

T2 - IMID/IDMC 2006: 6th Internaional Meeting on Information Display and the 5th International Display Manufacturing Conference

Y2 - 22 August 2006 through 25 August 2006

ER -

Quantum chemical molecular dynamics and kinetic Monte Carlo approach to the design of MgO protecting layer in plasma display panel

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