Double-anchoring organic dyes for dye-sensitized solar cells: the opto-electronic property and performance

Yuanchao Li, Peng Song, Yanhui Yang, Fengcai Ma and Yuanzuo Li

New J. Chem., 2017, 41, 12808
DOI: 10.1039/C7NJ02181J

Triplet excited-state charge transfer induced in indolenine-based squaraine for enhanced visible-light-driven H2 evolution

Yanxiang Liu, Qing-Yuan Zhao, Aijun Li, Yisong Zheng, Yu Gao, Xiao-Feng Wang, Yasushi Kawai, Takashi Nakamura and Shin-ichi Sasaki

J. Mater. Chem. A, 2025, 13, 10991
DOI: 10.1039/D4TA08954E

The influence of a dye–TiO2 interface on DSSC performance: a theoretical exploration with a ruthenium dye

Ling-Jun He, Jie Chen, Fu-Quan Bai, Ran Jia, Jian Wang and Hong-Xing Zhang

RSC Adv., 2016, 6, 81976
DOI: 10.1039/C6RA16173A

Screening and design of high-performance indoline-based dyes for DSSCs

Yuanzuo Li, Yuanchao Li, Peng Song, Fengcai Ma, Jianping Liang and Mengtao Sun

RSC Adv., 2017, 7, 20520
DOI: 10.1039/C6RA28396A

Molecular engineering of quinoxaline dyes toward more efficient sensitizers for dye-sensitized solar cells

Li-Na Yang, Shi-Cheng Li, Ze-Sheng Li and Quan-Song Li

RSC Adv., 2015, 5, 25079
DOI: 10.1039/C5RA00587F

Theoretical Investigation by Dft and Tddft the Extension Ofπ-Conjugation of Novel Carbazole-Based Donor Materials for Bulk Heterojunction Organic Solar Cell Applications

OMAR BRITEL, Asmae Fitri, Adil Touimi Benjelloun, Mohammed Benzakour and Mohammed Mcharfi

SSRN Journal, 2022
DOI: 10.2139/ssrn.4144340

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
DOI: 10.1016/j.molstruc.2022.133728

Theoretical investigation of anthanthrene-based dyes in dye‐sensitized solar cell applications: Effect of nature of alkyl-substitutions and number of anchoring groups

Nuha Wazzan

Arabian Journal of Chemistry, 2022, 15, 103969
DOI: 10.1016/j.arabjc.2022.103969

Spectral analysis and detailed quantum mechanical investigation of some acetanilide analogues and their self-assemblies with graphene and fullerene

Aljawhara H. Almuqrin, Jamelah S. Al-Otaibi, Y. Sheena Mary, Renjith Thomas, Savaş Kaya and Dilara Özbakır Işın

J Mol Model, 2020, 26
DOI: 10.1007/s00894-020-04485-3

Light Harvesting and Direct Electron Injection by Interfacial Charge-Transfer Transitions between TiO2 and Carboxy-Anchor Dye LEG4 in Dye-Sensitized Solar Cells

Jun-ichi Fujisawa and Minoru Hanaya

J. Phys. Chem. C, 2018, 122, 8
DOI: 10.1021/acs.jpcc.7b04749

Theoretical investigation by DFT and TDDFT the extension of π-conjugation of novel carbazole-based donor materials for bulk heterojunction organic solar cell applications

Omar Britel, Asmae Fitri, Adil Touimi Benjelloun, Mohammed Benzakour and Mohammed Mcharfi

J Mol Model, 2022, 28
DOI: 10.1007/s00894-022-05347-w

Effects of adding cyanovinyl moiety on the photovoltaic DSSCs phosphonic acid based cells

Driss Fadili, Si Mohamed Bouzzine and Mohamed Hamidi

J Comput Electron, 2020, 19, 1629
DOI: 10.1007/s10825-020-01546-x

Theoretical study of high-efficiency organic dyes with the introduction of different auxiliary heterocyclic acceptors based on IQ1 toward dye-sensitized solar cells

Yongxin Xu, Minjie Li, Yan Fu, Tian Lu, Yanni Hu and Wencong Lu

Journal of Molecular Graphics and Modelling, 2019, 86, 170
DOI: 10.1016/j.jmgm.2018.10.001

Molecular engineering mechanism of organic photoactive layer by alkyl chains, 4-butoxyphenyl and cyanogroup

Xiaofei Wang, Yuanzuo Li, Peng Song, Fengcai Ma, Lu Mi and Yanhui Yang

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2019, 218, 142
DOI: 10.1016/j.saa.2019.03.070

Spectral analysis and DFT investigation of some benzopyran analogues and their self-assemblies with graphene

Jamelah S. Al-Otaibi, Y. Sheena Mary, Y. Shyma Mary, Savaş Kaya and Sultan Erkan

Journal of Molecular Liquids, 2020, 317, 113924
DOI: 10.1016/j.molliq.2020.113924

Theoretical study of triphenylamine-based organic dyes with mono-, di-, and tri-anchoring groups for dye-sensitized solar cells

Nuha Wazzan and Ahmad Irfan

Organic Electronics, 2018, 63, 328
DOI: 10.1016/j.orgel.2018.09.039

Prediction of photoelectric properties, especially power conversion efficiency of cells, of IQ1 and derivative dyes in high-efficiency dye-sensitized solar cells

Yongxin Xu, Xiao Xu, Minjie Li and Wencong Lu

Solar Energy, 2020, 195, 82
DOI: 10.1016/j.solener.2019.11.038

Theoretical Study of Effects of Anchoring Groups on Photovoltaic Properties of a Triarylamine-Based p-Type Sensitizer

Su-Qin Zhou, Qi-Ying Xia, Li-Xiao Kong, Karuppasamy Ayyanar and Xue-Hai Ju

ACS Omega, 2020, 5, 23491
DOI: 10.1021/acsomega.0c03522

Theoretical Study of WS-9-Based Organic Sensitizers for Unusual Vis/NIR Absorption and Highly Efficient Dye-Sensitized Solar Cells

Minjie Li, Li Kou, Ling Diao, Qing Zhang, Zhonggao Li, Qiang Wu, Wencong Lu, Dengyu Pan and Zhen Wei

J. Phys. Chem. C, 2015, 119, 9782
DOI: 10.1021/acs.jpcc.5b03667

Optical and electrical properties of purpurin and alizarin complexone as sensitizers for dye-sensitized solar cells

Chaofan Sun, Yuanzuo Li, Dawei Qi, Huixing Li and Peng Song

J Mater Sci: Mater Electron, 2016, 27, 8027
DOI: 10.1007/s10854-016-4799-4

Comprehensive quantum mechanical studies on three bioactive anastrozole based triazole analogues and their SERS active graphene complex

Jamelah S. Al-Otaibi, Aljawhara H. Almuqrin, Y. Sheena Mary and Y. Shyma Mary

Journal of Molecular Structure, 2020, 1217, 128388
DOI: 10.1016/j.molstruc.2020.128388

Effects of auxiliary electron-withdrawing moieties on the photovoltaic properties of D-π-A’-π-A phosphonic acid-based DSSCs

Driss Fadili, Zakaria Mohyi Eddine Fahim, Si Mohamed Bouzzine, Ouafa Tahiri Alaoui and Mohamed Hamidi

Computational and Theoretical Chemistry, 2022, 1210, 113645
DOI: 10.1016/j.comptc.2022.113645

A Photoelectrochemical Study of Hybrid Organic and Donor—Acceptor Dyes as Sensitizers for Dye-Sensitized Solar Cells

Jessica Barichello, Sara Gullace, Alberto Cusimano, Gaetano Di Marco, Fabio Matteocci and Giuseppe Calogero

Applied Sciences, 2022, 12, 3159
DOI: 10.3390/app12063159

Enhancing optoelectronic properties of phosphonic acid based dyes via donor unit variation: A DFT/TD-DFT investigation

Driss FADILI, Zakaria Mohyi Eddine FAHIM, Abdelaaziz ALIOUI, Si Mohamed BOUZZINE and Mohamed HAMIDI

Materials Today Communications, 2024, 38, 108126
DOI: 10.1016/j.mtcomm.2024.108126

First-principles screening and design of C275-based organic dyes for highly efficient dye-sensitized solar cells

Yueyue Shao, Zhen Wei, Luis Martin Mejia Mendoza, Tian Lu, Shugao Chen, Minjie Li and Wencong Lu

Solar Energy, 2020, 207, 759
DOI: 10.1016/j.solener.2020.06.111

A DFT/TDDFT investigation on the efficiency of novel dyes with ortho-fluorophenyl units (A1) and incorporating benzotriazole/benzothiadiazole/phthalimide units (A2) as organic photosensitizers with D–A2–π–A1 configuration for solar cell applications

Nuha A. Wazzan

J Comput Electron, 2019, 18, 375
DOI: 10.1007/s10825-019-01308-4

Exploring the effect of mono- and di-fluorinated triphenylamine-based molecules as electron donors for dye-sensitised solar cells

Ohoud S. Al-Qurashi, Nuha A. Wazzan and I. B. Obot

Molecular Simulation, 2020, 46, 41
DOI: 10.1080/08927022.2019.1668561

Prediction of Power Conversion Efficiencies of Diphenylthienylamine-Based Dyes Adsorbed on the Titanium Dioxide Nanotube

Ohoud S. Al-Qurashi and Nuha Wazzan

ACS Omega, 2021, 6, 8967
DOI: 10.1021/acsomega.0c06340

Experimental and theoretical study of organic sensitizers for solid-state dye-sensitized solar cells (s-DSSCs)

Annette Delices, Jinbao Zhang, Marie-Pierre Santoni, Chang-Zhi Dong, François Maurel, Sébastien Bellynck, Alexandre Chevillot, Nick Vlachopoulos, Anders Hagfeldt and Mohamed Jouini

Journal of Photochemistry and Photobiology A: Chemistry, 2022, 428, 113890
DOI: 10.1016/j.jphotochem.2022.113890

Theoretical investigation of the nitrogen-heterocyclic as π-linker in diphenylthienylamine-based dyes adsorbed on TiO2 nanotubes for DSSCs applications

Ohoud S. Al-Qurashi and Nuha Wazzan

Molecular Physics, 2021, 119, e1919772
DOI: 10.1080/00268976.2021.1919772

Single- and co-sensitization of triphenylamine-based and asymmetrical squaraine dyes on the anatase (001) surface for DSSC applications: Periodic DFT calculations

Ohoud S. Al-Qurashi, Abdesslem Jedidi and Nuha Wazzan

Journal of Molecular Graphics and Modelling, 2021, 104, 107833
DOI: 10.1016/j.jmgm.2021.107833

Theoretical study of the effect of π-linkers on triarylamine-based p-type D-π-A sensitiser

Li-Xiao Kong, Chang-Shan Zhang, Qi-Ying Xia and Xue-Hai Ju

Molecular Simulation, 2020, 46, 128
DOI: 10.1080/08927022.2019.1679808