- 标题
- 摘要
- 关键词
- 实验方案
- 产品
-
Non-covalent Interaction Controlled 2D Organic Semiconductor Films: Molecular Self-Assembly, Electronic and Optical Properties, and Electronic Devices
摘要： The establishment of electronic and opto-electronic products relying on organic semiconductors (OSCs) has been intensely explored over the past few decades due to their great competitiveness in large area, low cost, flexible, wearable and implantable devices. Many of these products already entered our daily lives, such as organic light-emitting diodes-based displays, portable organic solar cells and organic field-effect transistors. The device performance of OSC devices are determined by the supramolecular organization (orientation, morphology) as well as the supramolecular organization dependent energy level alignment at various interfaces (organic/electrode, organic/dielectric, organic/organic). This review focuses on the impact of non-covalent interaction on the molecular self-assembly of organic thin films, their electronic and optical properties, as well as the device performance. Beginning with the growth of multiple OSCs on substrates with different interfacial interaction strengths (metals, insulators, semiconductors), the critical roles of molecule-substrate and intermolecular interactions in determining the thin film organization have been demonstrated. Several non-covalent interactions that contribute to the energy levels of organic materials in solid phase are summarized, mainly including the induction contributions, electrostatic interactions, band dispersions and interface dipoles. The excitonic coupling in specific aggregations of organic molecules and the corresponded effect on their optical properties are also discussed. Finally, the influences of weak intermolecular interactions on the device performance are presented.
关键词： molecular self-assembly,optical properties,non-covalent interaction,electronic properties,electronic devices,organic semiconductors
更新于2025-09-23 15:19:57
-
Synthesis, physicochemical and quantum chemical studies on a new organic NLO crystal: Cinnamoylproline
摘要： Cinnamoylproline was synthesized and the crystal was grown from solution by the slow evaporation method. The crystal belongs to the trigonal crystal system with non-centrosymmetric space group P31. The calculated geometry and experimental geometry from single crystal X-ray data were compared. Intermolecular interactions were studied using Hirshfeld surface analysis and its real space functions were calculated using Atoms In Molecules (AIM) and its isosurfaces were visualized using Non-covalent interaction analysis. Optical transparency of the crystal was analyzed by UV-Vis analysis and it was found that the crystal has good optical transparency in the visible range and the lower cut-off wavelength was found to be 326 nm. In the photoluminescence spectrum, a broad emission peak at 369 nm was observed. The functional groups were analyzed using FTIR techniques and the vibrational frequencies from experimental and theoretical values were compared. It was inferred from the TG-DTA studies that the crystal was thermally stable up to 375°C. Kurtz-Perry powder SHG analysis was also carried out with KDP as a reference. It showed that the crystal has 1.08 times greater efficiency than KDP. The first hyperpolarizability tensor of the molecule was calculated theoretically and theoretical second order susceptibility was obtained and compared with the experimental susceptibility.
关键词： Non Covalent Interaction (NCI),Crystal growth,Hirshfeld surface analysis,cinnamic acid,QTAIM,First hyperpolarizability
更新于2025-09-04 15:30:14