Detail of "188-94-3"

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Structural, electronic, and optical properties of the diindenoperylene molecule from first-principles density-functional theory

All Rights Reserved. Structural, electronic, and optical properties of the diindenoperylene molecule from first-principles density-functional theory. Ramaniah, Lavanya M.; Boero, Mauro (High Pressure Physics Division, Physics Group, Bhabha Atomic Research Centre, Mumbai 400085, India). Physical Review A: Atomic, Molecular, and Optical Physics, 74(4, Pt. A), 042505/1-042505/5 (English) 2006 American Physical Society. CODEN: PLRAAN. ISSN: 1050-2947. DOCUMENT TYPE: Journal CA Section: 65 (General Physical Chemistry) Section cross-reference(s): 73 The structure, energetics, electronic, and optical properties of the org. mol., diindenoperylene (DIP), are investigated by first-principles d.-functional and time-dependent d.-functional theory. The photoabsorption cross section, computed on the optimized geometry within the linear response theory, gives results in good agreement with exptl. data, with minor differences ascribed to vibrational levels and to solvent effects. Ab initio dynamical simulations of the mol. triplet excited state show that DIP is stable against distortions, at least on the picosecond time scale. The theor. approach, involving a combination of first-principles techniques, is shown to be able to describe in detail the response properties of low-dimensional org. semiconductor systems, currently important in nanotechnol. 188-94-3 is just another one chemical used in this study. applications. .

Strongly enhanced thermal stability of crystalline organic thin films induced by aluminum oxide capping layers

Strongly enhanced thermal stability of crystalline organic thin films induced by aluminum oxide capping layers. Sellner, Stefan; Gerlach, Alexander; Schreiber, Frank; Kelsch, Marion; Kasper, Nikolai; Dosch, Helmut; Meyer, Stephan; Pflaum, Jens; Fischer, Matthias; Gompf, Bruno (Max-Planck-Institut fuer Metallforschung, Stuttgart 70569, Germany). Advanced Materials (Weinheim, Germany), 16(19), 1750-1753 (English) 2004 Wiley-VCH Verlag GmbH & Co. KGaA. CODEN: ADVMEW. ISSN: 0935-9648. DOCUMENT TYPE: Journal CA Section: 66 (Surface Chemistry and Colloids) The thermal stability of thin films of the org. semiconductor diindenoperylene (DIP) can be strongly enhanced by aluminum oxide capping layers. Thermal desorption spectroscopy and in-situ X-ray diffraction showed that org. films do not only stay on the substrate, but even remain cryst. up to 460°C, i.e. 270°C above their desorption point for uncapped films. This strong enhancement of the thermal stability compared to uncapped and also metal-capped org. layers is related to very weak diffusion of aluminum oxide and the structurally well-defined as-grown interfaces.In this experiment, several chemicals are used like 1344-28-1 and 188-94-3 Possible mechanisms for the eventual breakdown at high temps. are discussed. .