Electronic properties of CuPc and H2Pc: an experimental and theoretical study.

Phthalocyanine (H2Pc) and its open-shell copper complex (CuPc) deposited on amorphous gold films have been studied by combining the outcomes of several synchrotron based spectroscopic tools (X-ray photoelectron spectroscopy, UV photoelectron spectroscopy and near-edge X-ray absorption fine structure, NEXAFS, spectroscopy) with those of density functional theory (DFT) calculations. The assignment of experimental evidence has been guided by the results of DFT numerical experiments carried out on isolated molecules. With specific reference to CuPc NEXAFS data collected at the N K-edge, they have been assigned by using the open-shell time-dependent DFT (TDDFT) in the framework of the zeroth order regular approximation (ZORA) scalar relativistic approach.

Excitonic recombination in superstoichiometric nanocrystalline TiO2 grown by cluster precursors at room temperature.

Unprecedented room temperature excitonic emissions are achieved from TiO(2) nanocrystals synthesized at 300 K by supersonic cluster beams. Transmission electron microscopy studies show the crystalline nature of the nanoparticles (NPs) with a diameter ranging from 5 to 30 nm. All the samples show mixed rutile and anatase phases as confirmed by Raman spectroscopy.

The electrical conductivity of hydrogenated nanocrystalline silicon investigated at the nanoscale.

Hydrogenated nanocrystalline silicon (nc-Si:H) is a multiphase, heterogeneous material, composed of Si nanocrystals embedded in an amorphous matrix. It has been intensively studied in the last few years due to its great promise for photovoltaic and optoelectronics applications. The present paper aims to study the current transport mechanisms in nc-Si:H by mapping the local conductivity at the nanoscale.