書誌事項
- タイトル別名
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- Quantum Chemical Studies of Hole Transfer in Liquid Hexane
- リョウシ カガク ケイサン オ モチイタ エキタイ ヘキサン チュウセイコウ イドウ ノ ケントウ
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抄録
<p>Hole conduction in liquid organic insulator is investigated from an atomistic point of view by means of molecular dynamics simulation, quantum chemical calculation and kinetic Monte Carlo methods. Normal hexane is selected as a typical model system. Despite the small electronic coupling and large reorganization energy compared to those in typical semiconductors, hole mobility in n-hexane is comparable to that in organic amorphous semiconductors owing to the small energetic disorder. Although computed hole mobilities in liquid hexane is several orders of magnitude smaller than experimental electron mobilities, it may be comparable to the mobility of ions.</p>
収録刊行物
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- 電気学会論文誌. A
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電気学会論文誌. A 137 (7), 435-441, 2017
一般社団法人 電気学会
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詳細情報 詳細情報について
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- CRID
- 1390282679577102976
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- NII論文ID
- 130006839929
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- NII書誌ID
- AN10136312
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- ISSN
- 13475533
- 03854205
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- NDL書誌ID
- 028383362
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- 本文言語コード
- ja
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- データソース種別
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- JaLC
- NDL
- Crossref
- CiNii Articles
- KAKEN
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- 抄録ライセンスフラグ
- 使用不可