Vatti, A. K.: An ab initio study of muscovite mica and formation energy of ions in liquid water. Dissertation, Fakultät für Maschinenbau der Ruhr-Universität Bochum, Bochum, Germany (2016)
Bhogireddy, V. S. P. K.: Liquid metal induced grain boundary embrittlement: A multi-scale study. Dissertation, Fakultät für Maschinenbau der Ruhr-Universität Bochum, Bochum, Germany (2016)
Kenmoe, S.: Ab Initio Study of the Low-Index Non-Polar Zinc Oxide Surfaces in Contact with Water: from Single Molecules to Multilayers. Dissertation, Fakultät für Physik und Astronomie der Ruhr-Universität Bochum, Bochum, Germany (2015)
Lange, B.: Limitierungen der p-Dotierbarkeit von Galliumnitrid: Eine Defektstudie von GaN:Mg auf Basis der Dichtefunktionaltheorie. Dissertation, Universität Paderborn, Paderborn, Germany (2012)
Hamou, F. R.: Numerical Investigation of Scanning Electrochemical Potential Microscopy (SECPM). Dissertation, Fakultät für Physik und Astronomie der Ruhr-Universität, Bochum, Germany (2010)
Abu-Farsakh, H.: Understanding the interplay between thermodynamics and surface kinetics in the growth of dilute nitride alloys from first principles. Dissertation, University of Paderborn, Paderborn, Germany (2010)
Marquardt, O.: Implementation and application of continuum elasticity theory and a k.p-model to investigate optoelectronic properties of semiconductor nanostructures. Dissertation, University of Paderborn, Paderborn, Germany (2010)
Grabowski, B.: Towards ab initio assisted materials design: DFT based thermodynamics up to the melting point. Dissertation, University of Paderborn, Paderborn, Germany (2009)
Torres, E.: DFT Study of Alkanethiol Self-assembled Monolayers on Gold(111) Surfaces. Dissertation, Ruhr-Universität-Bochum, Fakultät für Physik und Astronomie, Bochum, Germany (2009)
Dick, A.: Ab initio STM and STS simulations on magnetic and nonmagnetic metallic surfaces. Dissertation, University of Paderborn, Paderborn, Germany (2008)
Solitonic excitations with topological properties in charge density waves may be used as information carriers in novel types of information processing.
About 90% of all mechanical service failures are caused by fatigue. Avoiding fatigue failure requires addressing the wide knowledge gap regarding the micromechanical processes governing damage under cyclic loading, which may be fundamentally different from that under static loading. This is particularly true for deformation-induced martensitic…
In this project, we employ a metastability-engineering strategy to design bulk high-entropy alloys (HEAs) with multiple compositionally equivalent high-entropy phases.
Low dimensional electronic systems, featuring charge density waves and collective excitations, are highly interesting from a fundamental point of view. These systems support novel types of interfaces, such as phase boundaries between metals and charge density waves.
Oxides find broad applications as catalysts or in electronic components, however are generally brittle materials where dislocations are difficult to activate in the covalent rigid lattice. Here, the link between plasticity and fracture is critical for wide-scale application of functional oxide materials.
In this project we conduct together with Dr. Sandlöbes at RWTH Aachen and the department of Prof. Neugebauer ab initio calculations for designing new Mg – Li alloys. Ab initio calculations can accurately predict basic structural, mechanical, and functional properties using only the atomic composition as a basis.
The wide tunability of the fundamental electronic bandgap by size control is a key attribute of semiconductor nanocrystals, enabling applications spanning from biomedical imaging to optoelectronic devices. At finite temperature, exciton-phonon interactions are shown to exhibit a strong impact on this fundamental property.