A study on indolo[3,2,1-jk]carbazole donor-based dye-sensitized solar cells and effects from addition of auxiliary donors

Harkishan Dua, Debolina Paul and Utpal Sarkar

Phys. Chem. Chem. Phys., 2025, 27, 2720
DOI: 10.1039/D4CP04701J

Optical limiting and third-order nonlinear optical properties of a novel thiazole-based organic NLO material for optoelectronic applications: experimental and theoretical insights

V. Keerthikumara, H. Keshav Kumar, M. Vindu Vahini, H. M. Bhanu Prakash, N. R. Bhavya, Samyukta Ram Mohan, Tejaswi Ashok Hegde and M. Mahendra

J Mater Sci: Mater Electron, 2025, 36
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Crafting optical wonders: The interplay of electron push–pull dynamics and π-conjugation in non–linear optics

Asad Ullah, Muhammad Ibrahim, Afifa Yousuf, Muhammad Arif Ali, Hong-Liang Xu and Muhammad Arshad

Next Materials, 2025, 9, 101239
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In silico designing of indacene core based acceptor materials with promising optoelectronic properties

Ayesha Khanum, Fatiqa Zafar, Asifa Rani, Waseeq-ul-Islam Zafar, Riaz Hussain, Muhammad Ijaz, Javed Iqbal and Muhammad Adnan

Computational and Theoretical Chemistry, 2026, 1255, 115563
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Design and fluorescence-guided optimization of styryl-benzonitrile cytotoxic chromophores: DFT and molecular docking studies

Sitah Almotiry and Hatun H. Alsharief

Journal of Molecular Structure, 2026, 1365, 145896
DOI: 10.1016/j.molstruc.2026.145896

Quantum Chemical Modeling Approach Toward Phenothiazine‐Based DyeSensitized Solar Cells: Role of Tetracene and Pentacene π‐Spacers in Photovoltaic and Electrochemical Performance

Asha, Sumit Sahil Malhotra, Abdullah Saad Alsubaie, Susheel, Manoj Kumar Gupta and Azaj Ansari

Energy Tech, 2026, 14
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Screening thiophene based organic spacers for their low lying LUMO energies for photovoltaic dye materials: a Gaussian process ML based analysis

Azal S. Waheeb, Shaimaa H. Mallah, Duha M. Hasan, Afaf M. Kadhum, Hussein A. K. Kyhoiesh, Ashraf Y. Elnaggar, Islam H. El Azab and Mohamed H. H. Mahmoud

Journal of Sulfur Chemistry, 2025, 46, 729
DOI: 10.1080/17415993.2025.2494836

Unveiling charge transfer kinetics and static-dynamic nonlinear optical switching in 2-phenylthiophene push-pull chromophores: DFT-based theoretical modelling for enhanced harmonic generation and electro-optic applications

Sehar Nadeem, Abida Anwar, Muhammad Usman Khan, Munazza Idrees, Mohamed A. El-Tayeb and Mahmoud A.A. Ibrahim

Journal of Molecular Graphics and Modelling, 2025, 139, 109061
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Stimuli-Responsive Reversible Band-Gap Engineering: Application of Oligo(p-phenylenevinylene) Derivatives for Visible-Light-Driven Photodetector Applications

Harshal V Barkale, Aditya Narayn, Gowtham Polumati, Parikshit Sahatiya and Nilanjan Dey

ACS Appl. Electron. Mater., 2025, 7, 6440
DOI: 10.1021/acsaelm.5c00710

Tuning the photophysical properties of triphenylamine pyrazine-based dyes: role of π-spacers in DSSCs with iodine and copper-based redox shuttle

Asha, Sumit Sahil Malhotra, Sunita Srivastava, Manoj Kumar Gangwar, Ranjan Kumar Mohapatra, Manoj Kumar Gupta and Azaj Ansari

J Mol Model, 2025, 31
DOI: 10.1007/s00894-025-06507-4

Experimental and theoretical studies on structural changes in the microtubule affinity-regulating kinase 4 (MARK4) protein induced by N-hetarenes: a new class of therapeutic candidates for Alzheimer’s disease

Ashanul Haque, Khalaf M. Alenezi, Mohd. Saeed Maulana Abdul Rasheed, Md. Ataur Rahman, Saleha Anwar, Shahzaib Ahamad and Dinesh Gupta

Front. Med., 2025, 12
DOI: 10.3389/fmed.2025.1529845

DFT exploration of the solvent-dependent electronic and nonlinear optical properties of naphthyridine-stilbene dyads

Dhanya P.K., Navjot Kaur and Renjith Raveendran Pillai

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2026, 345, 126715
DOI: 10.1016/j.saa.2025.126715

TD-DFT investigation of small molecular donors for enhanced organic photovoltaics

A. Arunkumar, Xue-Hai Ju and Adeel Mubarik

Opt Quant Electron, 2025, 57
DOI: 10.1007/s11082-025-08454-z