A molecular dynamics study on Eu doped BaMgAl10O17: Influence of defects, humidity, and surface on geometrical structure

Hiroaki Onuma; Hiroaki Tanno; Hideyuki Tsuboi; Michihisa Koyama; Akira Endou; Hiromitsu Takaba; Momoji Kubo; Carlos A. Del Carpio; Hiroshi Kajiyama; Tsutae Shinoda; Akira Miyamoto

A molecular dynamics study on Eu doped BaMgAl₁₀O₁₇: Influence of defects, humidity, and surface on geometrical structure

Hiroaki Onuma, Hiroaki Tanno, Hideyuki Tsuboi, Michihisa Koyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, Hiroshi Kajiyama, Tsutae Shinoda, Akira Miyamoto

研究成果: Paper › 査読

抄録

We carried out molecular dynamics simulation to study the structural characteristics of BaMgAl₁₀O₁₇:Eu²⁺ (BAM). Our results suggested that Beevers-Ross site is the dominant Eu site in the bulk of BAM. We found structural disorder in BAM near the surface when the BAM crystal surface was clean. We employed Monte Carlo methods to investigate the water sorption on BAM. The water molecules did not intercalate with the bulk of BAM and were dominantly adsorbed by the Eu atoms on the surface.

本文言語	English
ページ	1231-1234
ページ数	4
出版ステータス	Published - 2006 12 1
イベント	13th International Display Workshops, IDW '06 - Otsu, Japan 継続期間: 2006 12 6 → 2006 12 6

Other

Other	13th International Display Workshops, IDW '06
Country	Japan
City	Otsu
Period	06/12/6 → 06/12/6

ASJC Scopus subject areas

Electrical and Electronic Engineering
Electronic, Optical and Magnetic Materials
Radiology Nuclear Medicine and imaging
Atomic and Molecular Physics, and Optics

フィンガープリント「A molecular dynamics study on Eu doped BaMgAl<sub>10</sub>O<sub>17</sub>: Influence of defects, humidity, and surface on geometrical structure」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル

A molecular dynamics study on Eu doped BaMgAl₁₀O₁₇ : Influence of defects, humidity, and surface on geometrical structure. / Onuma, Hiroaki; Tanno, Hiroaki; Tsuboi, Hideyuki; Koyama, Michihisa; Endou, Akira; Takaba, Hiromitsu; Kubo, Momoji; Del Carpio, Carlos A.; Kajiyama, Hiroshi; Shinoda, Tsutae; Miyamoto, Akira.

2006. 1231-1234 Paper presented at 13th International Display Workshops, IDW '06, Otsu, Japan.

研究成果: Paper › 査読

Onuma, Hiroaki ; Tanno, Hiroaki ; Tsuboi, Hideyuki ; Koyama, Michihisa ; Endou, Akira ; Takaba, Hiromitsu ; Kubo, Momoji ; Del Carpio, Carlos A. ; Kajiyama, Hiroshi ; Shinoda, Tsutae ; Miyamoto, Akira. / A molecular dynamics study on Eu doped BaMgAl₁₀O₁₇ : Influence of defects, humidity, and surface on geometrical structure. Paper presented at 13th International Display Workshops, IDW '06, Otsu, Japan.4 p.

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abstract = "We carried out molecular dynamics simulation to study the structural characteristics of BaMgAl10O17:Eu2+ (BAM). Our results suggested that Beevers-Ross site is the dominant Eu site in the bulk of BAM. We found structural disorder in BAM near the surface when the BAM crystal surface was clean. We employed Monte Carlo methods to investigate the water sorption on BAM. The water molecules did not intercalate with the bulk of BAM and were dominantly adsorbed by the Eu atoms on the surface.",

author = "Hiroaki Onuma and Hiroaki Tanno and Hideyuki Tsuboi and Michihisa Koyama and Akira Endou and Hiromitsu Takaba and Momoji Kubo and {Del Carpio}, {Carlos A.} and Hiroshi Kajiyama and Tsutae Shinoda and Akira Miyamoto",

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T2 - 13th International Display Workshops, IDW '06

AU - Onuma, Hiroaki

AU - Tanno, Hiroaki

AU - Tsuboi, Hideyuki

AU - Koyama, Michihisa

AU - Endou, Akira

AU - Takaba, Hiromitsu

AU - Kubo, Momoji

AU - Del Carpio, Carlos A.

AU - Kajiyama, Hiroshi

AU - Shinoda, Tsutae

AU - Miyamoto, Akira

PY - 2006/12/1

Y1 - 2006/12/1

N2 - We carried out molecular dynamics simulation to study the structural characteristics of BaMgAl10O17:Eu2+ (BAM). Our results suggested that Beevers-Ross site is the dominant Eu site in the bulk of BAM. We found structural disorder in BAM near the surface when the BAM crystal surface was clean. We employed Monte Carlo methods to investigate the water sorption on BAM. The water molecules did not intercalate with the bulk of BAM and were dominantly adsorbed by the Eu atoms on the surface.

AB - We carried out molecular dynamics simulation to study the structural characteristics of BaMgAl10O17:Eu2+ (BAM). Our results suggested that Beevers-Ross site is the dominant Eu site in the bulk of BAM. We found structural disorder in BAM near the surface when the BAM crystal surface was clean. We employed Monte Carlo methods to investigate the water sorption on BAM. The water molecules did not intercalate with the bulk of BAM and were dominantly adsorbed by the Eu atoms on the surface.

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