本論文合成一系列染料分子，主要為三個部份探討，藉由予體的篩選、共軛系統的延伸與受體的選用三種不同的方式，篩選出最適合之條件，進而得到較高光轉換效率。首先我們由不同予體與受體的開發，成功地合成出一系列價格低廉，亦有不錯效能之染料分子，其中以吩噻嗪(phenothiazine)推電子能力最強，因此有較高的光轉換效率，可達5.53 % ( Jsc =13.35 mA cm-2, Voc = 669 mV, ff = 0.62)，另外我們可從雙受體染料中發現，雙芽的鍵結方式，有助於光轉換效率的增益，最後我們藉由所篩選之予體進行改質，延續D-π-A(Donor –π-bridge –Acceptor)的概念，改良以往文獻中常使用的噻吩(thiophene)為間隔(spacer)，嘗試以電子豐盈(electron-rich)的二噻吩(2-2-bithiophene)延伸共軛長度，或者藉乙烯二氧噻吩(3,4-ethylenedioxythiophene, EDOT)電洞基團上的乙烯二氧基(ethylene-dioxy group)提供額外電子，使得消光係數增加、光譜更為紅移並增進其光轉換效率，其中以染料38效率最高，可達6.72%。(Jsc =15.18 mA cm-2, Voc = 645 mV, ff = 0.69)。

A series of new organic dyes comprising carbazole, iminodibenzyl, and phenothiazine moieties, respectively, as the electron donors and rhodanine ring, cyanoacetic acid and acrylic acid moieties as the electron acceptors/anchoring groups are designed and developed for use in dye-sensitized solar cells. This is evidenced by spectral , electrochemical, and density functional theory calculations. Electrochemical study indicates that the phenothiazine unit is much more effective in lowering the ionization potential than are the iminodibenzyl and carbazole units. By the way, the phenothiazine dye has a higher conversion efficiency (η) of 5.53 % than the other dyes. Futthermore, we also develop a series of di-anchoring organic dyes. The molecular structure has two electron acceptors on both sides of each dye molecule, providing the efficient electron extraction paths from electron donor part, these dyes can obtain a higher conversion efficiency.
A series of organic sensitizers containing the same electron acceptors with various aromatic spacer as a electron-transfer groups, were used in dye-sensitized solar cells to study the effect of aromatic spacer on device performance. For these dyes, the phenothiazine derivative moiety and the cyanoacetic acid/ rhodanine ring are the electron donor and electron acceptor, respectively. The absorption spectra, electrochemical and photovoltaic properties of dyes 36–41 were extensively investigated. It was found that HOMO and LUMO energy level tuning can be conveniently accomplished by alternating the spacer moiety.
The DSSCs based on dye 38 showed the best photovoltaic performance: a maximum conversion efficiency of 6.72% under standard global AM1.5 solar light conditions, a short-circuit photocurrent density (Jsc) of 15.18 mA cm-2, an open-circuit photovoltage (Voc) of 645 mV, and a fill factor (ff) of 0.69. These results demonstrated that the DSSCs based on phenothiazine dyes could achieve both high performance and good stability
The effect of the kind of electron acceptor on the performance of DSSC was studied as well. We found that those organic dyes with rhodanine-acetic acid as acceptor gave much lower efficiencies, compared to those with cyanocrylic acid.

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