A5043874623- Molecular Junctions and Nanostructures
- Surface and Thin Film Phenomena
- nanoparticles nucleation surface interactions
- Graphene research and applications
- 2D Materials and Applications
- Quantum Dots Synthesis And Properties
- Asymmetric Hydrogenation and Catalysis
- Surface Chemistry and Catalysis
- Quantum and electron transport phenomena
- Photochromic and Fluorescence Chemistry
- Organometallic Complex Synthesis and Catalysis
- Chemical and Physical Properties of Materials
- Nanocluster Synthesis and Applications
- Inorganic Fluorides and Related Compounds
- Chemical Synthesis and Analysis
- Acoustic Wave Resonator Technologies
- Porphyrin and Phthalocyanine Chemistry
- Magnetic properties of thin films
- Photonic and Optical Devices
- Physics of Superconductivity and Magnetism
- Advanced Chemical Physics Studies
- Advanced Physical and Chemical Molecular Interactions
- Advanced MEMS and NEMS Technologies
Graz University of Technology
2015-2017
Institute of Solid State Physics
2013-2015
Institute of Inorganic Chemistry of the Slovak Academy of Sciences
2012
The thermal stability of self-assembled monolayers (SAMs) is fundamental importance for the majority their applications. It strongly depends on type chemical group used bonding molecules forming SAMs to selected substrate. Here, we compare impact using S and Se groups aromatic model based naphthalene, containing a polar substituent, formed Au(111) Using combination secondary ion mass spectrometry (SIMS) X-ray photoelectron spectroscopy (XPS) while heating samples, show that S-bonded higher...
Alkali metal atoms are frequently used for simple yet efficient n-type doping of organic semiconductors and as an ingredient the recently discovered polycyclic aromatic hydrocarbon superconductors. However, incorporation dopants from gas phase into molecular crystal structures needs to be controlled well understood in order optimize electronic properties (charge carrier density mobility) target material. Here, we report that potassium intercalation pristine 3,4,9,10-perylenetetracarboxylic...
We study the impact of coverage on electronic structure substituted biphenylthiolate-based self-assembled monolayers (SAMs) Au(111) surfaces with a particular focus SAM-induced work-function changes, ΔΦ. This is done using density functional theory accounting also for van der Waals interactions. find that tilt angle molecules increases significantly when reducing coverage, which results in marked decrease perpendicular component molecular dipole moment. However, ΔΦ does not follow trend one...
Using density functional theory augmented with state-of-the-art van der Waals corrections, we studied the geometric and electronic properties of nonplanar chlorogallium-phthalocyanine GaClPc molecules adsorbed on Cu(111). Comparing these results published experimental data for adsorption heights, found indications breaking metal-halogen bond when molecule is heated during or after deposition process. Interestingly, work-function change induced by this dissociated geometry same as that...
In this contribution, we use dispersion-corrected density functional theory to study inter- and intramolecular interactions in a prototypical self-assembled monolayer (SAM) consisting of biphenylthiolates bonded Au(111) via thiolate groups. The goal is identify the nature that drive into specific conformation. Particular focus laid on sampling realistic structures rather than high symmetry model configurations. This achieved by studying conceptually different local minimum SAM are obtained...