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Appropriate Molecular Interaction Enabling Perfect Balance Between Induced Crystallinity and Phase Separation for Efficient Photovoltaic Blends
摘要： Fluorination is a promising modification method to adjust the photophysical profiles of organic semiconductors. Notably, the fluorine modification on donor or acceptor materials could impact the molecular interaction, which is strongly related to the morphology of bulk heterojunction (BHJ) blends and the resultant device performance. Therefore, it’s essential to investigate how the molecular interaction affect the morphology of BHJ films. In this study, a new fluorinated polymer PBDB-PSF is synthesized to investigate the molecular interaction in both nonfluorinated (ITIC) and fluorinated (IT-4F) systems. The results reveal that the F-F interaction in PBDB-PSF:IT-4F system could effectively induce the crystallization of IT-4F while retaining ideal phase separation scale, resulting in outstanding charge transport. On the contrary, poor morphology can be observed in PBDB-PSF:ITIC system due to the unbalanced molecular interaction. As a consequence, the PBDB-PSF:IT-4F device delivers an excellent PCE of 13.63%, which greatly exceeds PBDB-PSF:ITIC device (9.84%). These results highlight manipulating the micromorphology in regard of molecular interaction.
关键词： induced crystalline,molecular interaction,phase separation,fluorination,synergistic effect
更新于2025-09-23 15:21:01
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Interaction of Zinc Oxide and Copper Oxide Nanoparticles with Chlorophyll: A Fluorescence Quenching Study
摘要： The present study aims to investigate the interactions of zinc oxide nanoparticles and copper oxide nanoparticles with the major photosynthetic pigment chlorophyll using ultraviolet-visible, steady state, and time resolved laser induced fluorescence spectroscopy. The steady state fluorescence measurements show that zinc oxide and copper oxide nanoparticles quench the fluorescence of chlorophyll in concentration-dependent manner. The Stern-Volmer plot for the chlorophyll-zinc oxide nanoparticles is linear, and the value of quenching constant has been observed to increase with temperature indicating the possibility of dynamic quenching. A decrease in the lifetime of chlorophyll with increase in the concentration of zinc oxide nanoparticles confirms the involvement of dynamic quenching in the chlorophyll–zinc oxide nanoparticle interaction. In the case of copper oxide nanoparticles, the Stern-Volmer plot deviates from linearity observed in the form of upward curvature depicting the presence of both static and dynamic quenching. In addition, the lifetime of chlorophyll decreases with increase in the concentration of copper oxide nanoparticles displaying the dominance of dynamic quenching in the chlorophyll-copper oxide nanoparticle interaction. The decrease observed in the value of binding constant with increasing temperature and negative values of change in enthalpy, entropy, and Gibb’s free energy indicates that van der Waal and hydrogen bonding are the prominent forces during the interaction of chlorophyll with both zinc oxide and copper oxide nanoparticles and that the process is spontaneous and exothermic. The interaction of zinc oxide and copper oxide nanoparticles with chlorophyll occurs through electron transfer mechanism. The obtained results are useful in understanding the sensitization processes involving chlorophyll and zinc oxide and copper oxide nanoparticles.
关键词： chlorophyll and nanoparticles,molecular interaction,ultraviolet-visible spectroscopy,laser-induced fluorescence spectroscopy,Attenuated total reflectance–Fourier transform infrared spectroscopy,steady state and time resolved fluorescence,X-ray diffraction
更新于2025-09-19 17:15:36
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Use of Aggregation-Induced Emission for Selective Detection of Phase Transformation during Evaporative Crystallization of Hexaphenylsilole
摘要： Crystallization of organic molecules is quite complicated because the crystallization process is governed by the weak intermolecular interactions. By exploiting the aggregation-induced emission (AIE), we attempted to realize the selective detection of phase transformation during the evaporative crystallization of hexaphenylsilole (HPS), which shows different fluorescence colors in the amorphous and crystalline phases. No fluorescence emission was observed in the HPS solution immediately after dropping on the glass substrate due to the non-radiative deactivation induced by intramolecular rotational or vibrational motion, suggesting that HPS exists as a monomer in solution. As time elapsed after dropping, green emission first appeared, which changed to blue after solvent evaporation, because of phase transformation from the amorphous state to the crystalline state. This phenomenon supports not only the two-step nucleation model involving an intermediate such as a liquid-like cluster prior to nucleation, but also the real time-detection of Ostwald’s rule of stages during evaporative crystallization.
关键词： molecular interaction,amorphous-crystal phase transformation,AIE,Ostwald’s rule of stages,evaporative crystallization
更新于2025-09-10 09:29:36
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Rose Bengal Incorporated to α-Cyclodextrin Microparticles for Photodynamic Therapy against the cariogenic microorganism Streptococcus mutans
摘要： Rose Bengal@α-cyclodextrin (RB@α-CD) microparticles (μPs) were prepared and the RB inclusion in α-CD was experimentally demonstrated through infrared, UV-VIS absorption spectroscopy and cyclic voltammetry. The RB inclusion in α-CD was theoretically investigated using classical molecular mechanics calculations, the simulation results showing that RB can be included in both the narrow and wide apertures of the α-cyclodextrin ring with configurations exhibiting average binding energies of about 27 kcal.mol-1. The prepared RB@α-CD microparticles were characterized through Scanning Electron Microscopy (SEM) and it was demonstrated that they are highly efficient in the photodynamic therapy against a Streptococcus mutans (the main bacteria of cariogenic dental plaque) suspension, as a concentration of RB@α-CD μPs 10 times smaller than the usual concentration of pure RB is still capable to produce significant antibacterial activity.
关键词： antibacterial activity,molecular interaction simulations,Rose Bengal,photodynamic therapy,α-cyclodextrin microparticles
更新于2025-09-10 09:29:36