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 - Dec 1 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 |
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All Science Journal Classification (ASJC) codes
- Engineering(all)
Cite this
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
}
TY - CONF
T1 - Integrated computational chemistry system for the material design of plasma display panel
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 - 2005/12/1
Y1 - 2005/12/1
N2 - 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.
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.
UR - http://www.scopus.com/inward/record.url?scp=33644610454&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=33644610454&partnerID=8YFLogxK
M3 - Paper
AN - SCOPUS:33644610454
SP - 423
EP - 426
ER -