Charge Transport in Organic Nanofibrils: Lessons from Modelling
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The modeling of non-covalent interactions, solvation effects, and chemical reactions in complex molecular environment is a challenging task. Current state-of-the-art approaches often rely on static computations using implicit solvent models and harmonic ap ...
Organic semiconductors are important components for applications in different fields of technology, as their advantages include the possibility of low-temperature processing as well as low-cost, large-area manufacturing based on solution-based processes, c ...
Real-world samples of graphene often exhibit various types of out-of-plane disorder-ripples, wrinkles and folds-introduced at the stage of growth and transfer processes. These complex out-of-plane defects resulting from the interplay between self-adhesion ...
We present a fragment-based decomposition analysis tool (FB-ECDA) for the electronic coupling of charge transfer processes. This tool provides insight on the sophisticated relationship between molecular packing, electronic coupling, and the molecular trans ...
We study the effects of disorder on the coupling strength of coupled photonic crystal slab cavities by considering fully-3D electromagnetic calculations. Specifically, we investigate two coupled L3 cavities at 30 degrees and 60 degrees configurations, wher ...
We conduct a detailed investigation of defects in two representative amorphous oxides: amorphous Al2O3 (am-Al2O3) and TiO2 (am-TiO2), by combining ab initio molecular dynamics (MD) simulations and hybrid functional calculations. Our results indicate that o ...
The present invention relates to compounds, compositions for use and methods for the treatment of a STING associated disease, condition, or disorder. ...
One of the fundamental properties of semiconductors is their ability to support highly tunable electric currents in the presence of electric fields or carrier concentration gradients. These properties are described by transport coefficients such as electro ...
The present invention relates to compounds, compositions for use and methods for the treatment of a STING associated disease, condition, or disorder. ...
The present invention relates to compounds, compositions for use and methods for the treatment of a STING associated disease, condition, or disorder. ...