The rational assembly of monomers, in principle, enables the design of a specific periodicity of polymeric frameworks, leading to a tailored set of electronic structure properties in these solid-state materials. The further development of these emerging systems requires a combination of both experimental and theoretical studies. Here, we investigated the electronic structures of two-dimensional...

Organic-inorganic halide perovskites present a number of challenges for first-principles atomistic materials modeling. Such "plastic crystals" feature dynamic processes across multiple length and time scales. These include the following: (i) transport of slow ions and fast electrons; (ii) highly anharmonic lattice dynamics with short phonon lifetimes; (iii) local symmetry breaking of the averag...

Integration of organic/inorganic hybrid perovskites with metallic or semiconducting phases of 2D MoS2 nanosheets via solution processing is demonstrated. The results show that the collection of charge carriers is strongly dependent on the electronic properties of the 2D MoS2 with metallic MoS2 showing high responsivity and the semiconducting phase exhibiting high on/off ratios.

We demonstrate an alternative path for achieving high transconductance organic transistors in spite of relatively large source to drain distances. The improvement of the electronic characteristic of such a scheme is equivalent to a 60-fold increase in mobility of the underlying organic semiconductor. The method is based on percolating networks, which we create from a dispersion of individual si...

Since the 1950s a lot of effort has been devoted into the development of organic conductors. By a substantial degree this has been inspired by W. A. Little’s theoretical analysis of London’s idea that superconductivity might occur in organic macromolecules or polymers [1]. Over time this has resulted in the discovery of several organic metals and superconductors, albeit not with spectacularly h...

Diketopyrrolopyrroles (DPPs) have recently gained attention as building-blocks for organic semiconducting polymers and small molecules, however the semiconducting properties of their hydrogen-bonded (H-bonded) pigment forms have not been explored. Herein we report on the performance of three archetypical H-bonded DPP pigments, which show ambipolar carrier mobilities in the range 0.01-0.06 cm2/V...

Selective fluorination of organic semiconducting molecules is proposed as a means to achieving enhanced hole mobility. Naphthalene is examined here as a root molecular system with fluorination performed at various sites. Our quantum chemical calculations show that selective fluorination can enhance attractive intermolecular interactions while reducing charge trapping. Those observations suggest...

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A photocatalyst is defined as a substance which is activated by adsorbing a photon and is capable of accelerating a reaction without being consumed [1]. These substances are invaria‐ bly semiconductors. Semiconducting oxide photocatalysts have been increasingly focused in recent years due to their potential applications in solar energy conversion and environmen‐ tal purification. Semiconductor ...