Photocatalytic Hydrogen Generation in Surfactant-Free, Aqueous Organic Nanoparticle Dispersions.

Hydrogen generation in electrostatically stabilized, aqueous organic nanoparticle dispersions is investigated. For this purpose, organic nanoparticle dispersions are synthesized in water by nanoprecipitation from tetrahydrofuran and stabilized by charging through strong molecular electron acceptors. The dispersions are stable for more than 10 weeks on the shelf and during the photocatalytic process, despite the continuous transfer of charges between the reactants.

Controlling doping efficiency in organic semiconductors by tuning short-range overscreening.

Conductivity doping has emerged as an indispensable method to overcome the inherently low conductivity of amorphous organic semiconductors, which presents a great challenge in organic electronics applications. While tuning ionization potential and electron affinity of dopant and matrix is a common approach to control the doping efficiency, many other effects also play an important role. Here, we show that the quadrupole moment of the dopant anion in conjunction with the mutual near-field host-dopant orientation have a crucial impact on the conductivity.

Computing Charging and Polarization Energies of Small Organic Molecules Embedded into Amorphous Materials with Quantum Accuracy.

The ionization potential, electron affinity, and cation/anion polarization energies (IP, EA, P, P) of organic molecules determine injection barriers, charge carriers balance, doping efficiency, and light outcoupling in organic electronics devices, such as organic light-emitting diodes (OLEDs). Computing IP and EA of isolated molecules is a common task for quantum chemistry methods. However, once molecules are embedded in an amorphous organic matrix, IP and EA values change, and accurate predictions become challenging.