本研究旨在分別以自組裝分子及熱處理效應來提升染料及半導體敏化太陽能電池之光電轉換效能。文中首先以市售P25二氧化鈦奈米顆粒及旋轉塗佈法於ITO導電玻璃上製備薄膜光電極，並藉由XRD、SEM及AlphaStep分析薄膜特性。另外，藉由自組裝分子之雙官能基特性將染料分子與二氧化鈦連結，以製備染料敏化光電極，同時探討不同自組裝分子對元件效能所造成之影響。最後，以SILAR方式於二氧化鈦薄膜中沉積硫化鎘(CdS)半導體敏化劑，並探討陰離子溶液濃度、熱處理溫度與時間、CdS敏化劑層數及入射光強度等實驗變因對元件光電轉換效能表現之影響。
實驗結果顯示，本研究所製備之二氧化鈦薄膜是由奈米顆粒緻密堆積而成，從XRD分析結果可知其晶相主要以銳鈦礦為多數。比較APEDS、APMDS及APTMS三種自組裝分子後發現，三種分子皆可產生分子偶極矩以提升二氧化鈦之能階，其中經由10分鐘APMDS改質後之元件可使光電轉換效能從6.133%提升至6.922%。由暗電流分析結果顯示，三種自組裝分子皆可減少元件中的電荷再結合行為；此外，經APMDS改質後所得UV-Vis曲線會產生藍位移之現象；最後，藉由電化學阻抗分析可證明APMDS表面改質可提升元件電荷再結合阻力及改變二氧化鈦能階位置。
另外，由實驗結果可知，陰離子溶液濃度會影響CdS於二氧化鈦表面上之披覆程度，而不同熱處理條件對電池元件效能亦會有一定程度之影響。將各製備條件所得元件進行比較後可得知，以SILAR程序製備8層CdS半導體敏化劑，經過325°C加熱板進行3分鐘退火程序後所得元件，因CdS內部缺陷減少及較佳的激發電子能力，在AM 1.5G一個太陽光照度下之光電轉換效率高達1.404%。此外，藉由改變入射光強度後可得知，一般熱處理之元件其光電轉換效率會隨著入射光強度減弱而下降；然而高溫熱處理後之元件效能表現則有相反之趨勢，於0.1個太陽光照度下，其光電轉換效率高達2.246%，為目前已知轉換效能最佳的CdS敏化太陽能電池。
總結而言，自組裝分子會改變二氧化鈦之能階位置以及減少元件中的電荷再結合情形，進而影響染料敏化元件之光電轉換效能。而適當控制熱處理條件，可使CdS敏化劑激發更多電子並有利於元件中的電子轉移，因此可提高半導體敏化元件之整體效率。研究結果亦顯示，經退火後之CdS半導體材料在後續太陽光電發展上具有極大之潛力。

In this thesis, the self-assembly monolayer and heat treatment approaches were employed to improve the power conversion performance of dye- and semiconductor- sensitized solar cells, respectively. TiO2 thin films, which contained TiO2 nanoparticles and were analyzed by the XRD, SEM, and AlphaStep, were utilized to adsorbing the sensitizer.
By using self-assembly molecules (SAMs) with bifunctional groups, dye molecules could be assembled on to TiO2 surface. The results show that the band edge of TiO2 was changed by dipole moment effect resulted from SAMs, such as APEDS, APMDS, and APTMS. The best enhancement in power conversion efficiency, from 6.133% to 6.922%, could be obtained in the device modified by the 10 min treatment of APMDS. The dark current analysis indicates that the charge recombination at the photoelectrode / electrolyte interface could be suppressed by utilizing these SAMs. Also, a blueshift phenomenon was observed in the UV-Vis absorption curve for the APMDSmodified electrode. Finally, by the analysis of electrochemical impedance spectroscopy, it demonstrated that APMDS surface modification increases the charge recombination resistance and shifts the energy level of TiO2.
The coverage area of cadmium sulfide (CdS) on the TiO2 thin film was influenced by the concentration of anion solution in SILAR process. It was found that the device fabricated by the optimal conditions (CdS (8), 325°C annealing for 3 minutes) showed a cell efficiency of 1.404% under 1 sun illumination (AM 1.5G). This performance was attributed to the lower defects contained in the CdS crystal which improves the ability to the charge transfer. The cell efficiency decreased with the descending of light intensity in the device prepared by normal heat treatment. However, the tendency was opposite in the device fabricated by optimal annealing process. Under 0.1 sun illumination, the power conversion efficiency could reach 2.246% in the annealed device. To our knowledge, this is the best efficiency reported for CdS-sensitized solar cells till .
In conclusion, SAMs modification at electrode surface could enhance the performance of dyesensitized solar cells by shifting the energy level of TiO2 and inhibiting the charge recombination. The overall performance of semiconductorsensitized solar device could be improved by exciting more electrons from CdS sensitizer and an efficient charge transfer. It revealed that the annealed CdS semiconductor have a great potential to be utilized in the development of photovoltaic.

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