Insights into the sensitization effect and microscopic essence of π-linker structure regulation of metal-free organic dyes on the photovoltaic performance of dye-sensitized solar cells

Meng-Dan Chen, Yan-Ren Lu, Xiao-Meng Zhao, Jie-Sheng Hu, Xiao Zhang and Xiao-Lin Wang

Phys. Chem. Chem. Phys., 2025, 27, 19520
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DFT/TDDFTin silicodesign of ullazine-derived D–π–A–π–A dye photosensitiser

Jing Huang, Lei Yang, Zhangxu Chen, Yikun Zhou and Shasha Zeng

New J. Chem., 2023, 47, 11030
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Novel quinoline-based sensitizers coupled with diethylenetriamine as a new co-adsorbent to improve photovoltaic performance of dye-sensitized solar cells

Saadet Sevindik, Merve Gezgin, Nagihan Öztürk, Barış Seçkin Arslan, Davut Avcı, Mehmet Nebioğlu and İlkay Şişman

Dyes and Pigments, 2023, 218, 111476
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Computational method on highly efficient D-π-A-π-D-based different molecular acceptors for organic solar cells applications and non-linear optical behaviour

Ammasi Arunkumar and Xue-Hai Ju

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2024, 317, 124391
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Theoretical Study of Excited State Charge Transfer Characteristics based on A–D–A and A–DA′D–A Type Nonfullerene Acceptors

Yongjie Cui, Peipei Zhu, Xueliang Shi, Xunfan Liao and Yiwang Chen

J. Phys. Chem. C, 2021, 125, 10250
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Molecular Engineering of Robust Starburst-Based Organic Photosensitizers for Highly Efficient Photocatalytic Hydrogen Generation from Water

Yan-Yi Kwok, Po-Yu Ho, Ying Wei, Zhong Zheng, Sze-Chun Yiu, Cheuk-Lam Ho and Shuping Huang

Chem. Mater., 2022, 34, 5522
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Rational design of ZL003-based organic dyes for highly efficient dye-sensitized solar cells: Influence of alkynyl group and π-spacers on photovoltaic performance

Zhichun Zheng, Yueyue Shao, Changhua Ding, Minjie Li and Wencong Lu

Journal of Molecular Structure, 2022, 1269, 133728
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Positional isomerism engineering toward minimizing exciton binding energy in sulfone copolymers for enhanced uranyl photoreduction

Mei Xu, Yiping Liu, Yitong Lin, Jing Zhang, Renping Liang, Shanshan Yu, Zhibin Zhang and Fengtao Yu

Separation and Purification Technology, 2024, 344, 127259
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A comprehensive DFT/TDDFT investigation into the influence of electron acceptors on the photophysical properties of ullazine-based D-π-A-π-A photosensitizers

Jing Huang, Zihao Li, Lei Yang, Rongfang Hu and Guoyu Shi

Sci Rep, 2025, 15
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Influence of π-linker on pyrone-based hole transporting materials in perovskite solar cells

Huiwen Zheng, Hongzhang Jin, Yan Xu, Lei Yan and Xingzhu Wang

Molecular Simulation, 2023, 49, 701
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RETRACTED ARTICLE: TiO2/Cu-MOF/PPy composite as a novel photocatalyst for decomposition of organic dyes

Gang Liu, Ya Wang, Qindong Xue, Yanchao Wen, Xuhang Hong and Kefayat Ullah

J Mater Sci: Mater Electron, 2021, 32, 4097
DOI: 10.1007/s10854-020-05151-3

Synthesis, crystal structure, and DFT study of a novel quinoline-based schiff base with nonlinear optical and biological potential

Asif Jamal, Md. Serajul Haque Faizi, Ansu Kumar Roy, Rafat Hajra, Rahul Kumar Gupta, Vaishali Anand, Khushbu Singh and Navedul Haque

Next Research, 2026, 8, 101528
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The optoelectronic properties of acetylene based compounds as hole transporter in perovskite solar cells: A computational study

Sevda Neghabi and Rahim Ghadari

Solar Energy, 2024, 276, 112701
DOI: 10.1016/j.solener.2024.112701

Theoretical design and evaluation of efficient small donor molecules for organic solar cells

Adeel Mubarik, Faiza Shafiq, Hao-Ran Wang, Jun Jiang and Xue-Hai Ju

J Mol Model, 2023, 29
DOI: 10.1007/s00894-023-05782-3

Newly designed triazatruxene-based dye-sensitized solar cells containing different benzothiazine π-linkers: Geometric, optoelectronic, charge transfer properties, and cyanoacrylic acid versus benzoic acid

Alioui Abdelaaziz, Si Mohamed Bouzzine, Mohamed Hamidi and Reda M. El-Shishtawy

Computational and Theoretical Chemistry, 2023, 1224, 114127
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Designing and theoretical characterization of D-π-A1-π-A2 typed organic small molecule donor materials

Lihui Wang, Jinting Ye and Qiang Zhang

Materials Science in Semiconductor Processing, 2022, 152, 107097
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Multifunctional D-π-A dyes featuring triphenylamine–quinoline architecture: Rational design for prospective photovoltaic and nonlinear optical performance

Salman A. Aloudah, Ahmed A. Fadda, Ehab Abdel-Latif, Eman Nabil and Mohamed Zakaria

Journal of Molecular Structure, 2026, 1350, 144024
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Phenanthroimidazole-Based Covalent Organic Frameworks with Enhanced Activity for the Photocatalytic Hydrogen Evolution Reaction

Cong-Xue Liu, Dong-Lai Pan, Younggyu Seo, Seungjae Park, Jing-Lan Kan, Jin Young Koo, Wonyong Choi and Eunsung Lee

ACS Appl. Energy Mater., 2023, 6, 1126
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Preparation and Third‐Order Nonlinear Optical Properties of Novel Axial Fullerenol‐Substituted Phthalocyanines

Rui Xu, Haonan Xu, Min Zhu, Wei Li and Yunhe Zhang

Macro Chemistry & Physics, 2024, 225
DOI: 10.1002/macp.202400186

Rational Design of Alkynyl-Based Linear Donor−π–Acceptor Conjugated Polymers with Accelerated Exciton Dissociation for Photocatalysis

Jie Xiao, Ziheng Xiao, Jinghui Hu, Xiaokai Gao, Muhammad Asim, Lun Pan, Chengxiang Shi, Xiangwen Zhang and Ji-Jun Zou

Macromolecules, 2022, 55, 5412
DOI: 10.1021/acs.macromol.2c00885

Exploring the impact of electron acceptor tuning in D-π-A′-π-A photosensitizers on the photovoltaic performance of acridine-based DSSCs: A DFT/TDDFT perspective

Islam M. Abdellah, Mohamed R. Eletmany and Ahmed El-Shafei

Materials Today Communications, 2023, 35, 106170
DOI: 10.1016/j.mtcomm.2023.106170

Modulating the structural framework with electron-withdrawing groups and studying their effects on charge mobility in a new series of D-A-D based organic semiconductors

Farhina Abid, Sagar Sharma and Basanta Kumar Rajbongshi

Materials Science in Semiconductor Processing, 2025, 195, 109534
DOI: 10.1016/j.mssp.2025.109534