Data-Driven Discovery of Organic Electronic Materials Enabled by Hybrid Top-Down/Bottom-Up Design
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Many practical applications among organic electronic devices have been demonstrated over the last decades. They are considered as promising alternatives to inorganic semiconductor technologies due to the potential of cost-effective fabrication, excellent p ...
We report on charge- and ion-transport ionic hosts made from an imidazolium-cation-modified aryl-1,2,4-triazole, phosphineoxide-carbazole, and phosphineoxide. The hosts are white solids that have short-wavelength absorption cut-off at
In order to realize high-performance organic thin-film transistors (TFT), two parameters of the organic semiconducting layer are desired: single crystallinity for high mobility and patterning for low off currents. High-quality single crystals can be fabric ...
The non-covalent interactions of neutral π-conjugated cores, pertinent to organic semiconductor materials, are intimately related to their charge transport properties and involve a subtle interplay of dispersion, Pauli repulsion and electrostatic contribut ...
Surface-confined self-assembled molecular networks are commonly described as crystalline structures with short- and long-range order. Few exceptions to this trend are found in the literature reporting on amorphous and glassy networks and, discussing the or ...
Amer Chemical Soc2016
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In order to realize high-performance organic thin-film transistors (TFT), two parameters of the organic semiconducting layer are desired: single crystallinity for high mobility and patterning for low off currents. High-quality single crystals can be fabric ...
2016
The overarching objective of this thesis is extending and adapting the set of computational tools available for describing molecular precursors of organic semiconductors. The research presented within develops adhering to three principle goals: (1) provide ...
The first observation that PBBTPD, a low bandgap, ambipolar conjugated donor-acceptor (DA) polymer based on benzobisthiadiazole (BBT), possesses an open-shell singlet ground state as well as a thermally accessible triplet state is described. Similarly, int ...
Functional pi-conjugated molecules are relevant for the preparation of new organic electronic materials with improved performance. However, their synthesis is often rendered difficult by their inherently low solubility, and the permanent attachment of solu ...
Organic molecules (i.e. carbon-based) have opened a new and rapidly-growing industrial field in the optoelectronic market bringing to this field a new dimension of thinness and flexibility. In this context, this thesis has focused on one particular buildin ...