Similar papers
Open access
Sep 2026
Effect of Terminal Donor Units on the Electronic and Photovoltaic Properties of Conjugated Small Molecules: A DFT/TD-DFT Study
Isoindigo-based donor–acceptor small molecules are promising candidates for organic photovoltaic applications because of their strong electron-accepting character and tunable π-conjugated structures. In this work, seven isoindigo-based derivatives bearing phenyl, thiophene, thiophene, benzothiophene, fluorene, carbazol...
Pinar Seyitdanlioglu, Hilal Kalkan
· Journal of the Turkish Chemi... · 0 citations
Aug 2026
An indenobenzofuran-based organic dye (B2DI) as a potential n-type electron transport material for OLED applications: Synthesis, photophysical and theoretical insights.
Designing donor-acceptor frameworks is essential for tailoring intramolecular charge transfer (ICT) in modern optoelectronics. In this study, we report the synthesis and comprehensive evaluation of a novel, rigid π-conjugated organic dye: 8-benzoyl-4b,7,9b-trihydroxy-4b,9b-dihydro-10H-indeno[1,2-b]benzofuran-10-one(Dye...
Jayasri Rangasamy, Rajadurai Arasi, Kavinkumar Ravikumar et al.
· Spectrochimica Acta Part A -... · 0 citations
Open access
Aug 2026
Fluorine-engineered thienyl-fused non-fullerene acceptors based on as-indacene for high-performance organic solar cells: a DFT study
The growing demand for sustainable energy has driven the development of high-performance organic solar cells (OSCs). In this work, a series of donor–π–acceptor molecules were designed using 1,1,6,6-tetramethyl-as-indacene as the donor, furan as the π-spacer, and thienyl-fused IC derivatives as acceptors. Structural tun...
Sandeep Kumar, Anjali Singh, Mirtunjai Mishra et al.
· RSC Advances · 0 citations
Open access
Sep 2026
Alkyne-Linked Spirobifluorene D–π–A–π–D Emitters: Synthesis, Solution-State ICT Photophysics, and Comparative Acceptor Effects
The construction of sterically demanding donor-acceptor architectures remains a significant challenge in organic materials chemistry. Herein, two D-π-A-π-D type compounds, BTD-DPA and QXN-DPA, incorporating a 9,9′-spirobifluorene core with benzothiadiazole and quinoxaline acceptor units, were synthesized and investigat...
Maria Siddique, Mazhar Khan, Muhammad Mubashir Khan et al.
· Journal of Chemistry and Env... · 0 citations
Open access
Aug 2026
Theoretical Approach of the Rational Design of Methoxy Diphenylamine-Substituted Fluorine-Based HTMs for Highly Efficient Perovskite Solar Cells: DFT/TD-DFT
Organic solar cells (OSCs) have attracted significant attention as a promising photovoltaic technology because of their low fabrication cost, lightweight nature, mechanical flexibility, and rapid improvement in power conversion efficiency (PCE). Despite these advances, the development of efficient hole-transporting mat...
Abaid Ullah, Usman Ibrahim, Samina Liaqat et al.
· International Journal of Com... · 0 citations
Open access
Sep 2026
Charge transfer characteristics in one- and two-photon absorption of dibenzothiophene derivatives: roles of pedal rotation and donor alkyl chain length
Dibenzothiophene (DBT)-based derivatives have attracted considerable interest for their excellent nonlinear optical (NLO) properties. However, the specific roles of configurational isomerization and alkyl chain length variation in modulating their NLO properties remain insufficiently understood. Herein, we employ densi...
Jiu-Qi Yang, Yao-Chuan Wang, Hao-Ran Ni et al.
· Physica Scripta · 0 citations