私密直播全婐app免费大渔直播,国产av成人无码免费视频,男女同房做爰全过程高潮,国产精品自产拍在线观看

當前位置:群英聚首 > 論文著作 > 正文
Effect of functionalized π-bridge on porphyrin sensitizers for dye-sensitized solar cells: an in-depth analysis of electronic structure, spectrum, excitation, and intramolecular electron transfer.
來源:魯效慶教授個人網站 發布日期:2017-03-16
作者:X. Q. Lu,* Y. Shao, S. X. Wei, Z. G. Zhao, K. Li, C. Guo, W. L. Wang, M. M. Zhang, W. Y. Guo
關鍵字:porphyrin sensitizers,electronic structure,intramolecular electron transfer
論文來源:期刊
具體來源:J. Mater. Chem. C
發表時間:2015年
A series of porphyrin sensitizers for dye-sensitized solar cells (DSSCs) have been systematically investigated by density functional theory (DFT) and time-dependent DFT (TD-DFT) in tetrahydrofuran (THF) solution. The effects of π-bridge length, heteroaromatic unit, longitudinal conjugation, and relative position of functionalized groups on the optical and electrical properties are elucidated by analyzing the geometry, electronic structure, electron excitation, spectrum, photo-induced intramolecular electron transfer (IET), and light-harvesting efficiency (LHE). Our results show that the increase in π-bridge length by the addition of phenyl groups distances the electron distribution of LUMO away from the anchoring group and sharply decreases the effective electron excitation at the long wavelength region. The introduction of heteroaromatics in the π-bridge, especially electron-deficient units, stabilizes LUMO levels and improves the light-harvesting capability and donor-to-acceptor IET characteristics significantly. The extension of longitudinal π-conjugation in the π-bridge broadens the B band and slightly strengthens and redshifts the Q band but results in undesired orbital overlap. Repositioning the phenyl/thiophene group away from carboxylic acid increases the energy gap but leads to more effective long-range IET processes with more electrons, longer distance, lower orbital overlap, and moderate transfer rate. Our results highlight the significant effect of the functionalized π-bridge on porphyrin sensitizers, and provide a new insight into the design and screening of sensitizers for DSSCs.
Copyright © 2005 Polymer.cn All rights reserved
中國聚合物網 版權所有
經營性網站備案信息

京公網安備11010502032929號

工商備案公示信息

京ICP證050801號

京ICP備12003651號

主站蜘蛛池模板: 瑞金市| 克什克腾旗| 澄城县| 焦作市| 如东县| 黔东| 威远县| 镇沅| 吴堡县| 通许县| 福州市| 肃北| 太白县| 美姑县| 司法| 福州市| 无棣县| 三江| 阿勒泰市| 连城县| 揭阳市| 安仁县| 汶川县| 呼图壁县| 松江区| 靖安县| 沁水县| 青铜峡市| 交城县| 普陀区| 曲阳县| 如东县| 麻阳| 大英县| 南郑县| 福泉市| 松溪县| 博爱县| 静乐县| 新巴尔虎右旗| 剑河县|