Nanoscale Imaging of Charge Carrier and Exciton Trapping at Structural Defects in Organic Semiconductors
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In a molecular semiconductor, a charged molecule experiences a lattice relaxation which reorganizes it into a cation or an anion-radical. This species is not, in general, a polaron. By using calculations of the geometry and the electronic structure both ab ...
Using single crystal V2O5 as a sample, we tested the performance of the new aberration corrected GATAN spectrometer on a monochromatised 200 kV FEG FEI (S)TEM. The obtained V L and O K ELNES were compared with that obtained in a common GATAN GIF and that i ...
In a molecular semiconductor, the carrier is dressed with a polarization cloud that we treat as a quantum field of Frenkel excitons coupled to it. The consequences of the existence of this electronic polaron on the dynamics of an extra charge in a material ...
Eur. Phys. Soc. by EDP Sciences and Soc. Italiana Fisica2004
We investigate the interaction of Ti atoms with thin films made of 3,4,9,10 perylenetetracarboxylic dianhydride (PTCDA) molecules by means of self-consistent electronic structure calculations within a generalized gradient approximated density-functional th ...
The electronic structure of cis-bis(4,4'-dicarboxy-2,2'-bipyridine)bis(isothiocyanato)ruthenium(II) and of its ligand 2,2'-bipyridine-4,4'-dicarboxylic acid was studied with electron spectroscopy. Valence level spectra were studied with respect to photoele ...
This thesis is devoted to the theoretical study, by ab initio numerical methods, of the physical properties of substitutional semiconductor alloys. Nowadays, ab initio numerical methods allow to study quite accurately the physical properties of moderately ...