染料敏化太阳能电池中染料分子连接桥的影响
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- 英文论文题名：Effect of conjugation bridges of sensitizers on dye-sensitized solar cells
- 论文作者：张凤英 ; 何荣幸
- 英文论文作者：Fengying Zhang ; Rongxing He ; College of Chemistry and Chemical Engineering ; Southwest University
- 年：2016
- 作者机构：西南大学化学化工学院;
- 论文关键词：染料敏化太阳能电池 ; n型染料 ; p型染料 ; 再生过程
- 会议召开时间：2016-07-01
- 会议录名称：中国化学会第30届学术年会摘要集-第十八分会：电子结构理论方法的发展与应用
- 语种：中文
- 分类号：TM914.4
- 学会代码：ZGHY
- 会议名称：中国化学会第30届学术年会-第十八分会 ; 电子结构理论方法的发展与应用
- 会议地点：中国辽宁大连
- 主办单位：中国化学会
- 学会名称：中国化学会
- 页数：1
- 文件大小：335k
- 原文格式：D
- 会议级别：全国
摘要
为了探究敏化剂分子中桥对太阳能电池性能的影响,采用一系列理论方法探究了经典的n型和p型染料[1,2]。n型染料桥的刚性和长度的对比探究表明,随着桥长的增加最大吸收波长有微小的红移,且刚性噻吩桥的振子强度增加明显强于并噻吩桥。p型染料中富电子和缺电子桥的计算表明,在羧酸处增加噻吩桥有助于提高装置效率。此外,敏化剂的电荷转移以及连接二氧化钛或氧化镍的情况也被仔细地探究。创新的是,所有分子与碘离子相互作用时的再生过程也被模拟。我们希望在染料分子连接桥上的探究能为提高染料敏化太阳能电池效率提供帮助,对将来的实验有一定的指导作用。
Typical sensitizers including n-type and p-type are investigated by a series of theoretical methods for exploring the influence of conjugation bridges on the performance of DSSCs.The comparative exploration of n-type dyes with different rigidities and lengths manifests there are some slightly red-shift for maximum absorption wavelengths with the increasing of conjugation bridges, and stronger oscillator strengths are embodied on dyes with thiophene units as bridges.Calculation of p-type dyes with different electron-rich and electron-deficient units implies the increased length of the thiophene-based bridge close to the carboxyl group has a positive impact on the device performance.In addition, the property of charge transfer as well as the situation linking with TiO_2 or NiO are investigated thoroughly.Creatively, regeneration processes of all the sensitizers reacting with I-are stimulated.Our analysis on different bridges provides useful assistance and guidance in experiments for improving efficiency of cells in future.
Typical sensitizers including n-type and p-type are investigated by a series of theoretical methods for exploring the influence of conjugation bridges on the performance of DSSCs.The comparative exploration of n-type dyes with different rigidities and lengths manifests there are some slightly red-shift for maximum absorption wavelengths with the increasing of conjugation bridges, and stronger oscillator strengths are embodied on dyes with thiophene units as bridges.Calculation of p-type dyes with different electron-rich and electron-deficient units implies the increased length of the thiophene-based bridge close to the carboxyl group has a positive impact on the device performance.In addition, the property of charge transfer as well as the situation linking with TiO_2 or NiO are investigated thoroughly.Creatively, regeneration processes of all the sensitizers reacting with I-are stimulated.Our analysis on different bridges provides useful assistance and guidance in experiments for improving efficiency of cells in future.
引文
[1]Kim S,Lee JK,Kang SO,Ko J,Yum J-H,Fantacci S,et al.J.Am.Chem.Soc.,2006,128(51):16701.
[2]Qin P,Zhu H,Edvinsson T,Boschloo G,Hagfeldt A,Sun L.J.Am.Chem.Soc.,2008,130(27):8570.
[2]Qin P,Zhu H,Edvinsson T,Boschloo G,Hagfeldt A,Sun L.J.Am.Chem.Soc.,2008,130(27):8570.