yingliu

Monte Carlo simulations of charge transport in organic solar cells are performed for ideal and isotropic bulk heterojunction morphologies while altering the delocalization length of charge carriers. Previous device simulations have either treated carriers as point charges or with a highly delocalized mean-field treatment. This new model of charge delocalization leads to weakening of Coulomb interactions and more realistic predicted current and fill factors at moderate delocalization, relative to point charges. It is found that charge delocalization leads to significantly increased likelihood of escaping interface traps. In isotopic two-phase morphologies, increasing the domain sizes leads to slight decreases in predicted device efficiencies. It was previously shown that tortuous pathways in systems with small domain sizes can decrease device performance in thin film systems. However, the diminishing effects of Coulomb interactions with delocalization and efficient separations of excitons by small domains make morphological effects less pronounced. The importance of delocalization, which has largely been ignored in past simulations, as a parameter to consider and optimize when choosing materials for organic solar cells is emphasized.

The effects of charge delocalization on device efficiency is probed using mesoscale Monte Carlo simulations of charge transport in idealized and isotropic two-phase morphologies. Interfacial charge trapping is drastically reduced when Coulomb interactions are weakened through moderate delocalization (1.0–2.0 nm). Morphological differences become less dominant as charges delocalize.

Hexamodal imaging using simple nanoparticles is demonstrated. Porphyrin-phospholipids are used to coat upconversion nanoparticles in order to generate a new biocompatible material. The nanoparticles are characterized in vitro and in vivo for imaging via fluorescence, upconversion, positron emission tomography, computed tomography, Cerenkov luminescence, and photoacoustic tomography.

Gene delivery vehicles: Helical, cationic polypeptides with light-responsive domains showed potent membrane activity and promoted efficient cellular internalization of DNA (see picture). After transfection, a light trigger induces protecting-group removal to expose anionic carboxylate groups. The reduced cationic charge and helix distortion of the polypeptides result in enhanced DNA unpacking and reduced material toxicity because of the eliminated membrane activity.