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| DC 欄位 | 值 | 語言 |
|---|---|---|
| dc.contributor.advisor | 吳志毅(Chi-I Wu) | |
| dc.contributor.author | Yu-Jen Cheng | en |
| dc.contributor.author | 鄭淯仁 | zh_TW |
| dc.date.accessioned | 2021-06-15T03:51:29Z | - |
| dc.date.available | 2010-07-21 | |
| dc.date.copyright | 2010-07-21 | |
| dc.date.issued | 2010 | |
| dc.date.submitted | 2010-07-13 | |
| dc.identifier.citation | References
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| dc.identifier.uri | http://tdr.lib.ntu.edu.tw/jspui/handle/123456789/44591 | - |
| dc.description.abstract | 摘要
本論文利用理論模擬計算來探討應用在有機發光二極體中的有機分子材料的特性。能階狀態密度、吉普士自由能差、能階、電子分布和分子軌域將被模擬計算並和實驗結果進行比較。本論文討論四種材料：8-羟基喹啉鋁(Alq3)的鋰錯合物、8-羟基喹啉鋁的鍶錯合物、氯化硼亞酞菁(SubPc)摻雜氟化鋰和N,N'-二苯基-N,N'-(1-萘基)-1,1'-聯苯-4,4'-二胺(NPB)摻雜氯化硼亞酞菁。在這些情況中皆發現了能帶差中的可存在態(Gap State)的存在。其中8-羟基喹啉鋁的鋰錯合物、8-羟基喹啉鋁的鍶錯合物、氯化硼亞酞菁摻雜氟化鋰等三種材料是N型摻雜，它們可被用在陰極來得到好的電性。而N,N'-二苯基-N,N'-(1-萘基)-1,1'-聯苯-4,4'-二胺摻雜氯化硼亞酞菁則可以被用在陽極。 | zh_TW |
| dc.description.abstract | Abstract
Theoretical calculation is used to investigate characteristics of organic light emitting materials in this thesis. Density of states, difference of Gibb’s free energy, energy levels, electron population and molecular orbital are calculated and compared with experimental results. Four materials: Alq3-Li complex, Alq3-Cs complex, SubPc co-doping with LiF and SubPc doped NPB are discussed. Gap states are observed for these materials. N-type doping effects are found for Alq3-Li complex, Alq3-Cs complex and SubPc co-doping with LiF. They can be used in cathodes to get better electronic properties. SubPc doped NPB is used in anodes. | en |
| dc.description.provenance | Made available in DSpace on 2021-06-15T03:51:29Z (GMT). No. of bitstreams: 1 ntu-99-R97941020-1.pdf: 1623548 bytes, checksum: b223d9efd1127807e1c6cff9e160442b (MD5) Previous issue date: 2010 | en |
| dc.description.tableofcontents | Outline
Chapter 1 Introduction 5 Chapter 2 About calculation 7 2.1. Calculation Structure 7 2.2. Calculation Procedure 8 2.3. Calculation Method 8 2.4. Calculation Theories 9 2.4.1 DFT 9 2.4.2 Mullikan Charge Model 12 2.4.3 Thermal Dynamics 13 Chapter 2 Figures 15 Chapter 3 Alq3-Li Complex 16 3.1 Introduction 16 3.2 Experimental Evidence 16 3.3 Inference of the mechanism 17 3.4 Calculation 17 3.4.1 Alq3 17 3.4.2 Alq3-Li Complex 19 3.4.2.1 Geometry 19 3.4.2.2 Thermal Dynamics 19 3.4.2.3 Mullikan Charge Analysis 19 3.4.3 Molecular Orbital 20 3.4.4 Al/LiF 20 3.5 Conclusion 21 Chapter 3 Tables 22 Chapter 3 Figures 28 Chapter 4 Alq3-Cs complex 34 4.1 Introduction 34 4.2 Experimental Evidence 34 4.3 Inference of the mechanism 35 4.4 Calculation 36 4.4.1 Alq3-Cs Complex 36 4.4.2 Thermal Dynamics at 298K 37 4.4.3 Thermal Dynamics at Different Temperatures 37 4.4.4 With the Existence of Ag 38 4.4.5 With the Existence of Al 38 4.5 Conclusion 39 Chapter 4 Tables 41 Chapter 4 Figures 44 Chapter 5 SubPc Co-doping with LiF 48 5.1 Introduction 48 5.2 Experimental Evidence 48 5.3 Inference of the mechanism 49 5.4 Calculation 49 5.4.1 SubPc 49 5.4.2 SubPc-without-Cl 50 5.4.3 Gibb’s Free Energy 50 5.4.4 Molecular Orbital 50 5.4.5 Without Al 51 5.5 Conclusion 51 Chapter 5 Tables 52 Chapter 5 Figures 55 Chapter 6 SubPc doped NPB 62 6.1 Introduction 62 6.2 Experimental Evidence 62 6.3 Inference of the Mechanism 63 6.4 Calculation 63 6.4.1 SubPc and SubPc-without-Cl 63 6.4.2 NPB and NPB-Cl 64 6.4.2.1 Geometry 64 6.4.2.2 Density of States 64 6.4.2.3 Mullikan Charge Analysis 64 6.4.2.4 Molecular Orbital 64 6.4.2.5 Thermal Dynamics 65 6.5 Conclusion 66 Chapter 6 Tables 67 Chapter 6 Figures 71 Chapter 7 Future Work 77 References 78 | |
| dc.language.iso | en | |
| dc.subject | 氯化硼亞酞 | zh_TW |
| dc.subject | 菁 | zh_TW |
| dc.subject | 有機發光二極體 | zh_TW |
| dc.subject | 8-羟 | zh_TW |
| dc.subject | 基喹 | zh_TW |
| dc.subject | 鋁 | zh_TW |
| dc.subject | 錯合物 | zh_TW |
| dc.subject | Alq3 Li Cs SubPC NPB OLED gap state complex | en |
| dc.title | 以理論模擬計算探討有機發光二極體材料之電子特性 | zh_TW |
| dc.title | Theoretical Calculation on Electronic Properties of Organic Light Emitting Materials | en |
| dc.type | Thesis | |
| dc.date.schoolyear | 98-2 | |
| dc.description.degree | 碩士 | |
| dc.contributor.oralexamcommittee | 陳奕君,吳育任 | |
| dc.subject.keyword | 8-羟,基喹,啉,鋁,錯合物,氯化硼亞酞,菁,有機發光二極體, | zh_TW |
| dc.subject.keyword | Alq3 Li Cs SubPC NPB OLED gap state complex, | en |
| dc.relation.page | 80 | |
| dc.rights.note | 有償授權 | |
| dc.date.accepted | 2010-07-13 | |
| dc.contributor.author-college | 電機資訊學院 | zh_TW |
| dc.contributor.author-dept | 光電工程學研究所 | zh_TW |
| 顯示於系所單位： | 光電工程學研究所 | |
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