設計合成含苯並咪唑和 4-氨基嘧啶類型的電動 傳輸材料並分別探討其獨特的氟和鹽離子效應 對太陽能電池之影響

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姓名

劉欣蕊(Xin-Rui Lew) 查詢紙本館藏

畢業系所

化學學系

論文名稱

設計合成含苯並咪唑和 4-氨基嘧啶類型的電動傳輸材料並分別探討其獨特的氟和鹽離子效應對太陽能電池之影響
(Synthesis of Benzimidazole and Pyrimidin-4-amine Based Hole Transporting Materials and Investigation of Their Unique Fluorine and Salt Effects on Inverted Perovskite Solar Cells, Respectively.)

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至系統瀏覽論文 (2028-7-1以後開放)

摘要(中)

本文第一部分為延續先前學長所合成，benzimidazole為核心的化合物。在學長對對稱型結構比較後，單邊接上兩個 triphenylamine donor group 的溶解度和元件效率較好，所以我們將其結構延伸,合成出不含氟原子的苯環以及帶有氟原子的的苯環。接著，對此化合物應用於反式鈣鈦礦太陽能電池中電洞傳輸材料中，對其熱穩定性，光電轉換效率，電子電洞遷移率等數據進行探討，由此證明氟原子效應有效提升鈣太礦太陽能電池的光電轉換效率。

本文第二部分為研究合成 pyrimidin-4-amine 化合物作為 donating group。據該 pyrimidin-4-amine 類似衍生物的文獻指出，該結構擁有寬的吸收波且能有效地將電子電洞傳遞至其他元件組成。綜合上述特性，我們研究與設計出以用 benzene 作為 π-conjugation，在 para 位置上連接兩個pyrimidin-4-amine，合成 QA 系列最終產物出鹽類 QBAPS。最後，對化合物進行分子吸收度和熱穩定性等數據，應用於反式鈣鈦礦太陽能電池中電洞傳輸材料中，有望證明鹽類效應有效鈍化鈣太礦層未配位的離子，提升鈣太礦太陽能電池的光電轉換效率。

摘要(英)

The first part article is continued on the structure of benzimidazole, which is widely used in our laboratory, and applied as a central core. Compare with imidazole, benzimidazole is a greater Lewis base, larger π-conjugation, and higher environmental and thermal stability, which is suitable for applied as hole transporting materials. According to previous works, we used two triphenylamines as donors connected on meta or ortho position at benzimidazole. The device tests found that meta position has greater power conversion efficiencies than ortho position. In this study, we synthesized IZB and IZF, in which IZB does not consist of fluorine but IZF consists of fluorine. Lastly, we investigate the relationship between fluorine effects and hydrophobicity applied as hole-transporting material in inverted perovskite solar cells. We expect the fluorine effect will passivate the defects of perovskite and its hydrophobic will reduce perovskite layer degradation, and enhance its power conversion efficiencies.

The second part article is about designing and synthesizing
pyrimidin-4-amine compounds as a central core in donors to synthesize QA series. Referring to literature reports, pyrimidin-4-amine is an excellent coplanarity structure, electron-donating group, great hole mobility, and UV light
absorption. In this study, we applied a fused ring and methoxyl phenyl group in pyrimidin-4-amine to extend π-conjugation. After that, benzene and biphenyl were used as π-conjugated linkers, and donors were connected to synthesize QBA and QPA. Because of QPA had solubility problem, we used QBA to further studies in salt effects. Moreover, we added pyridine to QBA to become QBAP and designed quaternary salts QBAPS, and compare them. Lastly, we applied QA series as hole-transporting material in inverted perovskite solar cells and expect QA series bring a suitable energy level, good solubility, and excellent thermal stability. For salt effects, we expect that QBAPS can passivate grain vacancies via perovskite layer to prevent carriers recombination.

關鍵字(中)

★ 太陽能電池

關鍵字(英)

★ solar cells

論文目次

摘要 i
Abstract ii
誌謝 iv
目錄 v
圖目錄 viii
表目錄 x
一、緒論 1
1-1 前言 1
1-2 太陽能電池的發展 3
1-3 鈣鈦礦太陽能電池 4
1-3-1 電池元件的基本架構 5
1-3-2 太陽能電池之工作原理 9
1-3-3 太陽能電池參數 10
1-4 電洞傳輸材料之文獻回顧 12
1-4-1 線型電洞傳輸材料 12
1-4-2 星型電洞傳輸材料 15
1-4-3 螺旋型電洞傳輸材料 17
二、結構設計與概念 20
第一部分：IZ series 20
第二部分：QA series 24
三、結果與討論 27
3-1 化合物合成策略 27
3-1-1 IZ series 27
3-1-2 QA series 30
3-2 化合物之密度泛函理論計算 33
3-2-1 IZ series 33
3-2-2 QA series 33
3-3 化合物之光物理及電化學性質 39
3-3-1 IZ series 40
3-3-2 QA series 43
3-4 化合物熱穩定性分析 46
3-4-1 IZ series 46
3-4-2 QA series 48
四、結論與未來展望 50
4-1 IZ series 50
4-2 QA series 50
五、儀器、藥品與實驗步驟 51
5-1實驗藥品 51
5-2 實驗儀器 51
5-2-1核磁共振光譜儀 51
5-2-2超高解析質譜儀 52
5-2-3電化學分析儀 52
5-2-4紫外光-可見光譜儀 53
5-2-5螢光光譜儀 53
5-2-6熱重分析儀 53
5-2-7熱式差掃描分析儀 54
5-3 實驗合成步驟 55
5-3-1 IZ系列之合成 55
5-3-2 QA系列之合成 63
參考文獻 67
附錄 71

參考文獻

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指導教授

李文仁(Wen-Ren Li)

審核日期

2023-8-10

推文