The effect of the magnitude and direction of the dipoles of organic cations on the electronic structure of hybrid halide perovskites

We present ab initio calculations (DFT and SOC-G0W0) of the optoelectronic properties of different hybrid-halide perovskites, namely X-PbI3 (X = methylamonimum, formamidinium, guanidinium, hydrazinium, and hydroxylammonium). These calculations shed new light on how the substitution of different organic cations in the material influences its...

Effect of cation rotation on charge dynamics in hybrid lead halide perovskites

Organic-inorganic hybrid halide perovskites are a promising class of materials for photovoltaic application with reported power efficiencies over ∼22%. However, not much is known about the influence of the organic dipole rotation and phase transitions on charge carrier dynamics. Here, we report substantial changes in mobility and lifetime of...

High charge carrier mobility and efficient charge separation in highly soluble perylenetetracarboxyl-diimides

In this communication we report on the synthesis and charge mobility of highly soluble perylenebisimid derivatives.We show that introduction of alkylester side chains results in compounds combining a high solubility with charge mobilities up to 0.22 cm2 V_1 s_1. These materials are therefore interesting as an electron acceptor for solution...

A combined study of mesomorphism, optical, and electronic properties of donor-acceptor columnar liquid crystals

Donor-acceptor structures have recently gained great popularity for the design of low band gap polymeric organic semiconductors. Presented here is a first systematic study of organic semiconductors based on columnar liquid crystals that consist of discotic and board-shaped donor-acceptor structures. The discotic benzotristhiophenetricarboxamide...

Self-assembly and semiconductivity of an oligothiophene supergelator

A bis(trialkoxybenzamide)-functionalized quaterthiophene derivative was synthesized and its self-assembly properties in solution were studied. In non-polar solvents such as cyclohexane, this quaterthiophene ?-system formed fibril aggregates with an H-type molecular arrangement due to synergistic effect of hydrogen bonding and ?-stacking. The...