Morphology and transport characterization of solution-processed rubrene thin films on polymer-modified substrates.

In this report, the morpho-structural peculiarities and the crystallization mechanisms in solution-processed, solvent vapor annealed (SVA) thin films of rubrene (5,6,11,12-tetraphenylnaphthacene) on different substrates were investigated. The high-quality rubrene crystal films with a triclinic crystal structure were successfully prepared on the FTO substrates (glass slide coated with fluorine-tin-oxide) modified by PLA (polylactic acid) for the first time. The area coverage of rubrene crystal and the sizes of rubrene dendritic crystals increased with increasing thickness of PLA film and concentration of rubrene solution.

A DFT study on the photoelectric properties of rubrene and its derivatives.

The way to obtain new materials was usually to introduce some groups to molecules. Correlations among the molecular structure and photoelectric properties of rubrene and its eight derivatives have been studied in this paper, and the influences of the introduction of different electron-donating and withdrawing substituents on the molecular orbital, reorganization energies, absorption spectra, and fluorescence spectra of rubrene and its derivatives were discussed. In the present work, density functional theory calculations were performed at the B3LYP/6-311G(d,p) level to optimize the structure, and TD-DFT was used to calculate the absorption and emission spectra.