Aggregation−induced red−shift emission from self-assembled planar naphthalene diimide dye: Interlayer in a Schottky-type photodiode and DFT studies

• Published in: Optical materials 2024-09, Vol.155, Article 115902
• Main Authors: Karsili, Pelin, Abourajab, Arwa, Dinleyici, Meltem, Altınışık, Sinem, Koyuncu, Sermet, Dolek, Gamze, Kus, Mahmut, Icil, Huriye
• Format: Article
• Language: English
• Subjects: Color tunability; DFT; Film-forming solubility; Naphthalene diimide (NDI); Photodiode
• ISSN: 0925-3467
• DOI: 10.1016/j.optmat.2024.115902

In this study, a planar, soluble, thin film-forming and self-assembled small naphthalene diimide (3) molecule with a subtle moiety at the imide-nitrogen was synthesized, and applied for the first time in literature as an interfacial layer between Al and p-Si layers in a Schottky-type photodiode. The morphology of the compound was examined by scanning electron microscopy (SEM) and atomic force microscopy (AFM). The thin film structure and morphology affected the optical and electrical properties. The energy levels of the highest occupied molecular orbitals and lowest unoccupied molecular orbitals of 3 were calculated as −6.14 eV and −4.02 eV, corresponding to the band gap of 2.12 eV consistent with density functional theory (DFT) results. Differential scanning calorimetry (DSC) studies revealed a relatively high Tg value at 208 °C, indicating high-temperature applicability of the crystalline structure. The I–V measurements of Al/3/p-Si heterostructure were performed under dark and various light power intensities. The current steadily rose with each incremental 20 mW increase in light intensity. The reverse current increased almost 10-fold at 100 mW/cm2 illumination compared to dark measurement. The photodiode's responsivity, photosensitivity, and detectivity factors were elucidated. The photodiode's characteristic values, such as Io, n, ϕb, and Rs, were obtained as 3.50 × 10−6 A, 8.24, 0.588 eV and 2.266 kΩ, respectively. The fabricated Schottky-type diode showed promising results for the optoelectronic field. The compound's perfect solubilities in a wide range of solvents, processability, excellent chemical and photochemical stabilities, and exciting optical, thermal and electrochemical properties make it an ideal candidate for thin film and molecular electronics applications. [Display omitted] •A planar, soluble, film-forming and self-assembled naphthalene dye synthesized.•Emission characteristics showed concentration-dependent color tunability.•DSC, morphology, and DFT studies supported the crystalline structure of the dye.•The Tg value shows the higher temperature applicability in applications.•It was applied for the first time in literature as an interfacial layer in a Schottky-type photodiode.