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A simplified process to fabricate high aspect ratio nanostructures in silicon combining electron beam lithography and deep reactive ion etching (DRIE) is presented. A stable process (HARSiN) has been developed without the need for complicated resist/hard m ...
The concept of multiscale modeling embodies the idea that a comprehensive description of a material will require an understanding over multiple time and length scales. A multiscale model requires that descriptions at all levels be consistent with each othe ...
Micro-mechanical systems are exquisite tools for high-resolution surface patterning. As an alternative to traditional photolithography, they can be used for local material deposition at the sub-100 nm scale. This can be either done by means of liquid dispe ...
The formation of supramolecular structures is a central issue in bio- and nanotechnology and therein plays an important role for many novel developments such as biocompatible materials for integrating living cells or coating for implantable sensing devices ...
In the framework of this thesis self-assembled supramolecular architectures of several molecular species on crystal metal surfaces are characterized. These investigations combine results obtained by means of scanning tunneling microscopy (STM), scanning tu ...
Understanding radiation-induced defect formation in carbon materials is crucial for nuclear technology and for the manufacturing of nanostructures with desired properties. Using first-principles molecular dynamics, we perform a systematic study of the none ...
The electrostatic continuum solvent model developed by [Fattebert and Gygi J. Comput. Chem. 23, 662 (2002); Int. J. Quantum Chem. 93, 139 (2003)] is combined with a first-principles formulation of the cavitation energy based on a natural quantum-mechanical ...
We characterize the superionic phase transition and the lattice and electronic structures of the archetypal type-I superionic conductor alpha-AgI using extensive first-principles molecular dynamics calculations. We find that superionicity is signaled by a ...
In this paper, we discuss the self-assembling capabilities of the swarm-bot, a distributed robotics concept that lies at the intersection between collective and self-reconfigurable robotics. A swarm-bot comprises autonomous mobile robots called s-bots. S-b ...
A general approach to calculate the diabatic surfaces for electron-transfer reactions is presented, based on first-principles molecular dynamics of the active centers and their surrounding medium. The excitation energy corresponding to the transfer of an e ...