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Molecular Simulation Volume 46, 2020 - Issue 2
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Articles

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

Li-Xiao KongKey Laboratory of Soft Chemistry and Functional Materials of MOE, School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing, People’s Republic of ChinaView further author information
,
Chang-Shan ZhangKey Laboratory of Soft Chemistry and Functional Materials of MOE, School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing, People’s Republic of ChinaView further author information
,
Qi-Ying XiaSchool of Chemistry and Chemical Engineering, Linyi University, Linyi, People’s Republic of ChinaCorrespondence[email protected]
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&
Xue-Hai JuKey Laboratory of Soft Chemistry and Functional Materials of MOE, School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing, People’s Republic of ChinaCorrespondence[email protected]
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Pages 128-135 | Received 04 Jul 2019, Accepted 05 Oct 2019, Published online: 22 Oct 2019

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Garima Chanana & Kriti Batra. (2022) Modelling natural dye molecules lawsone and purpurin in different solvents for DSSC applications: a DFT and TD-DFT study. Molecular Simulation 48:9, pages 760-775.
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Articles from other publishers (6)

Si Mohamed Bouzzine, Alioui Abdelaaziz, Mohamed Hamidi, Fatimah A.M. Al-Zahrani & Reda M. El-Shishtawy. (2023) Phenyl versus Triazinyl π-Linkers in Phenohydrazine, Phenoxazine and Phenothiazine-Based Dye-Sensitized Solar Cells: A Computational Invesitigation. Materials Today Communications, pages 107802.
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Shabaan A.K. Elroby, Si Mohamed Bouzzine, Huda A. Al-Ghamdi, Maha M. Alotaibi & Reda M. El-Shishtawy. (2023) Molecular understanding of electron donor influences in dye-sensitized solar cells of novel series-based D-A’-(π-A)2. Materials Science in Semiconductor Processing 165, pages 107675.
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Alioui Abdelaaziz, Si Mohamed Bouzzine, Mohamed Hamidi & Reda M. El-Shishtawy. (2023) Newly designed triazatruxene-based dye-sensitized solar cells containing different benzothiazine π-linkers: Geometric, optoelectronic, charge transfer properties, and cyanoacrylic acid versus benzoic acid. Computational and Theoretical Chemistry 1224, pages 114127.
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Si Mohamed Bouzzine, Alioui Abdelaaziz, Mohamed Hamidi, Fatimah A. M. Al-Zahrani, Mohie E. M. Zayed & Reda M. El-Shishtawy. (2023) The Impact of TPA Auxiliary Donor and the π-Linkers on the Performance of Newly Designed Dye-Sensitized Solar Cells: Computational Investigation. Materials 16:4, pages 1611.
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Tatyana N. Moshkina, Emiliya V. Nosova, Julia V. Permyakova, Galina N. Lipunova, Marina S. Valova, Pavel A. Slepukhin, Leila K. Sadieva & Valery N. Charushin. (2022) Synthesis and photophysical properties of 2-aryl-4-(morpholin-4-yl)quinazoline chromophores: The effect of π-linker moiety. Dyes and Pigments 206, pages 110592.
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Hitler Louis, Linda P. Ifediora, Obieze C. Enudi, Tomsmith O. Unimuke, Fredrick C. Asogwa & Yusuff L. Moshood. (2021) Evaluation of the excited state dynamics, photophysical properties, and the influence of donor substitution in a donor-$$\pi$$-acceptor system. Journal of Molecular Modeling 27:10.
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