本研究論文分為三個部分，首先利用分子束鍍膜系統以三源共蒸鍍的方式成長CuAlSe2(以下簡稱CAS)薄膜在玻璃基板上，藉著Cu/Al 通量比控制，沉積出純相CAS薄膜，並對薄膜進行組成、電性與光性進行量測與分析。
CAS薄膜成長在Si(100)基板上，成長溫度為500℃時，從XRD圖可知晶粒成長方向如同玻璃基板，仍為(112)優選面的多晶薄膜，提升製程溫度到650℃，才有足夠熱能促使薄膜磊晶成長在矽基板上；薄膜成長後隨即在成長腔內於硒蒸氣壓下進行退火，可以有效改善薄膜孔洞和平整性。SEM剖面圖顯示出薄膜與基板附著良好，XRD亦確認CAS可以磊晶在單晶矽基板上，但AES縱深元素分佈圖呈現在CAS/Si界面間有顯著的相互擴散現象，尤其大約有至少5 at%的Si全面進入CAS薄膜中，其n型摻雜的影響將嚴重改變CAS的p型導電型式以致難以達成原先p-n接面設計，因此未來採用低溫磊晶製程為必要手段。
本文最後一部分為p-CAS/n-c-Si異質接面太陽電池的元件模擬與探討，使用模擬軟體為PC1D，模擬條件以材料的現有文獻資料做輸入，模擬發現p-CAS/n-c-Si異質接面的元件最高效率僅10%，從能帶圖可知兩材料P-N接面的能帶落差大，因而阻礙載子傳輸；若在兩者中間插入CuGaSe2成(CGS)為p-CAS/p-CGS/n-c-Si疊層結構，改善能帶結構的連續性，此一元件模擬其能量轉換效率達24%，若進一步針對p-CAS/p-CGS兩材料摻雜濃度與能帶關係做最佳化調整，最大光電轉換效率可達28%。

We used molecular beam deposition system to grow CuAlSe2 (CAS) thin film. At first, CAS thin films were grown on glass substrates for adjusting chemical composition to obtain single-phase CAS films and measuring the corresponding electric and optical properties. X-ray diffraction (XRD) data showed that the films prepared with the preset composition of Cu/Al=0.5 and a substrate temperature of 550℃may achieve single-phase CAS films. The bandgap of these films were determined to be 2.65 eV by optical transmission measurements, while the film resistivities were about 104 Ω-cm as measured by four-point probe method. Using the above-mentioned atomic flux and increase of substrate temperature up to 650, CAS films can be grown epitaxially on (100)Si substrate. Further analysis of the CAS/Si interface by Auger depth profiling showed significant interdiffusion between CAS and Si.
Finally, the PC1D simulation tool was applied to predict the energy conversion efficiency of a CAS/Si heterojunction solar cell. We found that the highest efficiency was limited to 10% because of a large band offset existed at the heterojunction. By an insertion of a thin layer of CuGaSe2 (CGS) between CAS and Si to lower the band discontinuity, an energy conversion efficiency as high as 28% could be estimated for the device structure of p-CAS/p-CGS/n-Si with optimized material parameters.

論文審定書 i
誌謝 ii
摘要 iv
Abstract v
目錄 vi
圖目錄 viii
表目錄 x
第一章 緒論 1
1-1 前言 1
第二章 文獻回顧 2
2-1 CAS材料特性 2
2-2 電學性質 4
2-3 薄膜成長與基板匹配度 5
2-4矽基太陽能電池元件設計 7
2-5 研究動機與目的 9
第三章 實驗方法與步驟 10
3-1實驗設備 10
3-1-1分子束蒸鍍系統(Molecular Beam Deposition) 10
3-1-2磁控濺鍍系統 11
3-2 實驗步驟 12
3-2-1 基板清洗 12
3-2-2薄膜製程 13
3-3薄膜性質量測方法與儀器介紹 15
3-3-1 X光繞射儀 15
3-3-2 四點探針 15
3-3-3 掃描式電子顯微鏡 16
3-3-4 穿透光譜儀 17
第四章 實驗結果與討論 18
4-1 CAS多晶薄膜成長與分析 18
4-1-1 成長單一相CAS多晶薄膜 18
4-1-2 CAS/metal金屬接觸之電學性質量測 22
4-1-3 CAS薄膜光學性量測與分析 25
4-2 CAS磊晶薄膜成長與分析 27
4-2-1 磊晶薄膜成長參數調整 27
4-2-2 薄膜表面與剖面形貌 33
4-3 矽基異質接面太陽能電池模擬 35
4-3-1 CAS/Si異質接面太陽能電池模擬 35
4-3-2 CAS/CGS/Si異質接面太陽能電池模擬 40
第五章 結論 45
第六章 參考文獻 46

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