Three-electron correlations in strong laser field ionization.

Strong field processes involving several active electrons reveal unambiguous dynamical signatures of the Pauli principle importance even in the nonrelativistic regime. We exemplify this statement studying three active electrons model atoms interacting with strong pulsed radiation, using an ab-initio time-dependent Schrödinger equation on a grid. In our restricted dimensionality model we are able to analyze momenta correlations of the three outgoing electrons using Dalitz plots.

A systematic construction of Gaussian basis sets for the description of laser field ionization and high-harmonic generation.

A precise understanding of mechanisms governing the dynamics of electrons in atoms and molecules subjected to intense laser fields has a key importance for the description of attosecond processes such as the high-harmonic generation and ionization. From the theoretical point of view, this is still a challenging task, as new approaches to solve the time-dependent Schrödinger equation with both good accuracy and efficiency are still emerging. Until recently, the purely numerical methods of real-time propagation of the wavefunction using finite grids have been frequently and successfully used to capture the electron dynamics in small one- or two-electron systems.

Scanning probe microscopy studies on the adsorption of selected molecular dyes on titania.

Titanium dioxide, or titania, sensitized with organic dyes is a very attractive platform for photovoltaic applications. In this context, the knowledge of properties of the titania-sensitizer junction is essential for designing efficient devices. Consequently, studies on the adsorption of organic dyes on titania surfaces and on the influence of the adsorption geometry on the energy level alignment between the substrate and an organic adsorbate are necessary.

Transformations of PTCDA structures on rutile TiO2 induced by thermal annealing and intermolecular forces.

Transformations of molecular structures formed by perylene-3,4,9,10-tetracarboxylic dianhydride (PTCDA) molecules on a rutile TiO2(110) surface are studied with low-temperature scanning tunnelling microscopy. We demonstrate that metastable molecular assemblies transform into differently ordered structures either due to additional energy provided by thermal annealing or when the influence of intermolecular forces is increased by the enlarged amount of deposited molecules. Proper adjustment of molecular coverage and substrate temperature during deposition allows for fabrication of desired assemblies.

On-surface polymerization on a semiconducting oxide: aryl halide coupling controlled by surface hydroxyl groups on rutile TiO2(011).

Based on scanning tunneling microscopy experiments, we show that the covalent coupling of aryl halide monomers on the rutile TiO2(011)-(2 × 1) surface is controlled by the density of surface hydroxyl groups. The efficiency of the polymerization reaction depends on the level of surface hydroxylation, but the presence of hydroxyl groups is also essential for the reaction to occur.

STM tip-assisted engineering of molecular nanostructures: PTCDA islands on Ge(001):H surfaces.

Islands composed of perylene-3,4,9,10-tetracarboxylic dianhydride (PTCDA) molecules are grown on a hydrogen passivated Ge(001):H surface. The islands are studied with room temperature scanning tunneling microscopy and spectroscopy. The spontaneous and tip-induced formation of the top-most layer of the island is presented.

Supramolecular ordering of PTCDA molecules: the key role of dispersion forces in an unusual transition from physisorbed into chemisorbed state.

Adsorption and self-assembly of large π-conjugated 3,4,9,10-perylene tetracarboxylic dianhydride (PTCDA) molecules on rutile TiO(2)(110) surface have been investigated using a combination of high-resolution scanning tunneling microscopy (STM), low-energy electron diffraction, and density functional theory calculations with inclusion of Grimme treatment of the dispersion forces (DFT-D). Evolution of the STM images as a function of PTCDA coverage is caused by transition of the adsorption mode from physisorbed single adspecies and meandering stripes into spontaneously ordered chemisorbed molecular assemblies. This change in the adsorption fashion is accompanied by significant bending of the intrinsically flat, yet elastic, PTCDA molecule, which allows for strong electronic coupling of the dye adspecies with the TiO(2) substrate.

Adsorption of organic molecules on the TiO2(011) surface: STM study.

High resolution scanning tunneling microscopy has been applied to investigate adsorption and self-assembly of large organic molecules on the TiO(2)(011) surface. The (011) face of the rutile titania has been rarely examined in this context. With respect to possible industrial applications of rutile, quite often in a powder form, knowledge on behavior of organic molecules on that face is required.

[11]Anthrahelicene on InSb(001) c(8×2): a low-temperature scanning probe microscopy study.

The adsorption of individual [11]anthrahelicene molecules and their self-assembly into monolayer islands on an InSb(001) c(8×2) reconstructed surface is studied with low-temperature scanning probe microscopy. A racemic mixture is deposited on atomically flat terraces of InSb at room temperature. At lower coverage, the molecules tend to decorate atomic step edges of the substrate.

Adsorption of large organic molecules on clean and hydroxylated rutile TiO2(110) surfaces.

Behavior of large organic molecules equipped with spacer groups (Violet Landers, VL) on the TiO(2)(110)-(1x1) surfaces is investigated by means of high-resolution scanning tunneling microscopy (STM). Two distinct adsorption geometries are observed. We demonstrate that the molecule adsorption morphology can be alternated by well-controlled STM tip-induced manipulation.

Time-resolved quantum dynamics of double ionization in strong laser fields.

Quantum calculations of a (1+1)-dimensional model for double ionization in strong laser fields are used to trace the time evolution from the ground state through ionization and rescattering to the two-electron escape. The subspace of symmetric escape, a prime characteristic of nonsequential double ionization, remains accessible by a judicious choice of 1D coordinates for the electrons. The time-resolved ionization fluxes show the onset of single and double ionization, the sequence of events during the pulse, and the influences of pulse duration and reveal the relative importance of sequential and nonsequential double ionization, even when ionization takes place during the same field cycle.