Shamsa Bibi , Saba Ashraf , Sania Ismaeel , Shafiq UrRehman , Saba Jamil , Muhammad Adnan Iqbal , Shanza Rauf Khan , Samreen Gul Khan , Hong-Xing Zhang
{"title":"Configuration modifications of π-spacer and their hypothetical effect on indolo [3, 2, 1-jk] carbazole-based DSSCs performance","authors":"Shamsa Bibi , Saba Ashraf , Sania Ismaeel , Shafiq UrRehman , Saba Jamil , Muhammad Adnan Iqbal , Shanza Rauf Khan , Samreen Gul Khan , Hong-Xing Zhang","doi":"10.1016/j.ijleo.2025.172550","DOIUrl":null,"url":null,"abstract":"<div><div>In this study, a π-spacer modification technique was employed on indolo[3,2,1-jk] carbazole-based donor materials with a cyanoacrylic acid group as the acceptor to design nine new molecules. The π-spacer modification on the indolo[3,2,1-jk] carbazole-based donor materials offer advantages in improving DSSCs efficiency and optoelectrical behavior. The newly designed molecules were examined for several crucial parameters, including absorbance maximum, frontier molecular orbitals, excitation energy, light harvesting efficiency, Voc, and fill factor. All of the designed dyes significantly improved their optical and performance-related characteristics. Among the studied molecules, IC2, which featured an additional furan π-bridge with an ethyl group and a double furan ring around the azo group, displayed the broadest range of UV-Vis peak absorbance (547 nm) with the lowest energy of excitation (2.26 eV). Furthermore, the molecules with extended furan π-bridges exhibited high values of light harvesting ability, while those with pyrrole π-bridges, such as IC9, showed the highest open-circuit voltage (2.81V). Depending on these favorable properties, the molecules with additional π-bridges are considered promising candidates for DSSCs.</div></div>","PeriodicalId":19513,"journal":{"name":"Optik","volume":"339 ","pages":"Article 172550"},"PeriodicalIF":3.1000,"publicationDate":"2025-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Optik","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0030402625003389","RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"Engineering","Score":null,"Total":0}
引用次数: 0
Abstract
In this study, a π-spacer modification technique was employed on indolo[3,2,1-jk] carbazole-based donor materials with a cyanoacrylic acid group as the acceptor to design nine new molecules. The π-spacer modification on the indolo[3,2,1-jk] carbazole-based donor materials offer advantages in improving DSSCs efficiency and optoelectrical behavior. The newly designed molecules were examined for several crucial parameters, including absorbance maximum, frontier molecular orbitals, excitation energy, light harvesting efficiency, Voc, and fill factor. All of the designed dyes significantly improved their optical and performance-related characteristics. Among the studied molecules, IC2, which featured an additional furan π-bridge with an ethyl group and a double furan ring around the azo group, displayed the broadest range of UV-Vis peak absorbance (547 nm) with the lowest energy of excitation (2.26 eV). Furthermore, the molecules with extended furan π-bridges exhibited high values of light harvesting ability, while those with pyrrole π-bridges, such as IC9, showed the highest open-circuit voltage (2.81V). Depending on these favorable properties, the molecules with additional π-bridges are considered promising candidates for DSSCs.
期刊介绍:
Optik publishes articles on all subjects related to light and electron optics and offers a survey on the state of research and technical development within the following fields:
Optics:
-Optics design, geometrical and beam optics, wave optics-
Optical and micro-optical components, diffractive optics, devices and systems-
Photoelectric and optoelectronic devices-
Optical properties of materials, nonlinear optics, wave propagation and transmission in homogeneous and inhomogeneous materials-
Information optics, image formation and processing, holographic techniques, microscopes and spectrometer techniques, and image analysis-
Optical testing and measuring techniques-
Optical communication and computing-
Physiological optics-
As well as other related topics.