Serrano Luis A, Park Kwang-Won, Ahn Sungwoo, Wiles Alan A, Hong Jongin, Cooke Graeme
WestCHEM, School of Chemistry, University of Glasgow, Glasgow G12 8QQ, UK.
Department of Chemistry, Chung-Ang University, Seoul 06974, Korea.
Materials (Basel). 2019 Mar 12;12(5):839. doi: 10.3390/ma12050839.
Coplanar metal-free organic dyes featuring a furylethynyl spacer with different donor residues (MeO-, MeS-, and Me₂N-) have been synthesized. Density functional theory (DFT) calculations predicted that the Me₂N- residue would facilitate more effective charge transfer from donor to acceptor than the MeO- and MeS- residues. In agreement with DFT calculations, the dye-sensitized solar cells (DSSCs) fabricated with the Me₂N- functionalized dye exhibited the best power conversion efficiency (η), 2.88%. Furthermore, the effect of the furan spacer on the photophysical properties and DSSC parameters are discussed in comparison to a previously reported thiophene counterpart.
已合成了具有不同供体残基（甲氧基、甲硫基和二甲氨基）的含呋喃乙炔基间隔基的共面无金属有机染料。密度泛函理论（DFT）计算预测，与甲氧基和甲硫基残基相比，二甲氨基残基将促进从供体到受体更有效的电荷转移。与DFT计算结果一致，用二甲氨基功能化染料制备的染料敏化太阳能电池（DSSC）表现出最佳的功率转换效率（η），为2.88%。此外，与先前报道的噻吩类似物相比，讨论了呋喃间隔基对光物理性质和DSSC参数的影响。
