Field of Expertise: Advanced Material Science

Thursday 23 October 2014      Rechbauerstrasse 12, HSII

Opening, Welcome
Klaus Reichmann

Ab-initio modelling of strongly-correlated systems: Surprises and Perspectives
Markus Aichhorn, Institut für Theoretische Physik - Computational Physics

Strongly-correlated materials show a variety of fascinating properties, such as metal-insulator transitions, unconventional superconductivity, or magnetism, that cannot be explained by standard band-theory of solids. A common feature of these fascinating materials is that pot ... more

The impact of collective electrostatic effects on molecular electronics
Veronika Obersteiner [1], David A. Egger [1],[2], Georg Heimel [3], Egbert Zojer [1], [1] Institute of Solid State Physics, Graz University of Technology; [2] Department of Materials and Interfaces, Weizmann Institute of Science; [3] Institut für
http://www.if.tugraz.at/

Molecular electronics is a branch of nanotechnology where few or even individual molecules are considered as basic building blocks for applications on the nanoscale. Based on the bottom-up approach it offers the opportunity to sandwich single molecules between electrodes, with th ... more

From molecular design to plastic electronics: A multi-scale modeling perspective
Karin Zojer, Institut für Festkörperphysik
http://www.if.tugraz.at

In this talk, an introduction to the scope and challenges related to multi-scale modelling of organic electronic devices is given. Organic electronic devices hold the promise to combine semiconducting properties with the mechanical properties of plastic and with an unprecedented ... more

Coffe Break

Impact Toughness of Steel after Electrochemical Hydrogenation
Michael Freiberger, Rudolf Vallant, Institut für Werkstoffkunde und Schweißtechnik

Hydrogen Embrittlement (HE) is a field of corrosion, which needs attention throughout materials science, especially for steel. The causes are widespread as are the effects, perhaps resulting in severe failures. Mechanisms and consequences of HE are commonly known, but each case m ... more

Characterization, quantification and growth modelling of pores in 9Cr steels
Surya Deo Yadav, Institute for Materials Science and Welding , TU Graz
http://iws.tugraz.at/

Creep failure of materials under service conditions strongly rely on the formation and growth of cavities, encouraging the characterisation, quantification and modelling of the cavitation. This work focuses on cavities evolution in a P91 steel pipe in three conditions: as receive ... more

Surface structuring by Electron Beam Technique in titanium alloys for medical applications
Claudia Ramskogler, PhD Student
http://iws.tugraz.at/

Titanium-based materials are used successfully as orthopedic devices due to their mechanical properties and biocompatibility. Mechanical properties of implants are strongly related to the microstructure obtained by thermo-mechanical processes and their biocompatibility depends on ... more

Dilatometric measurement techniques for the direct investigation of kinetics in structurally complex materials
Martin Luckabauer, Institute of Materials Phyics

Dilatometry is well-established for the characterization of materials behavior in response to thermal treatment. In such measurements the thermal expansion caused by the sum of all volume affecting processes in the specimen is recorded as a function of temperature. Processes like ... more

Lunch

Tomography in Analytical Transmission Electron Microscopy of Nanomaterials
A.Orthacker1, G. Haberfehlner1, J. Tändl2, M.C. Poletti2 and G. Kothleitner1,3, 1. Graz Centre for Electron Microscopy, 2. Institute for Materials Science and Welding, 3. Istitute for Electron Microscopy and Nanoanalysis

The importance of light materials with a high mechanical stability is constantly increasing, as these materials for instance enable energy efficient and safe transport, like in aviation. The material studied in this work is an alloy containing scandium and zirconium rich nanopart ... more

Ion-selective electrolyte-gated field-effect transistors: prerequisites for proper functioning
Johannes Kofler, NanoTecCenter Weiz Forschungsgesellschaft mbH

For the emerging fields of biomedical diagnostics and environmental monitoring, where sensor platforms for in-situ sensing of ions and biological substances in appropriate aqueous media are required, electrolyte-gated organic field-effect transistors (EGOFETs) seem to be the tran ... more

Resistance Switching in Organic Electronic Devices: Mechanism and Applications
Sebastian Nau, NanoTecCenter Weiz Forschungsgesellschaft mbH

Electrically tunable resistors (memristors) realized in two terminal structures seem to be one of the most versatile innovations in the semiconductor industry with many possible applications not only as non-volatile memory, but also in the field of logic circuitry or neuromorphic ... more

Towards Optically Active Nanostructures using Focused Electron Beam Induced Nano-synthesis of Si-Ge Precursor
Michael Haas, Inst. of Inorganic Chemistry, TU Graz

SiGe nanostructures are considered one of the key developments for next generation semiconductor technologies, due to their unique properties and compatibility with the existent silicon based microelectronics industry. Among the various techniques for the growth of semiconductor ... more
Presentation file: abstract_Material Day_2014_Stueger.docx

Modification of PZT with Bismuth: a Structural and Electrical Study
Theresa Kainz, Franz Mautner, Klaus Reichmann, Christian Doppler Laboratory for Advanced Ferroic Oxides

In this contribution the influence of Bismuth as substitution of Lead in the solid solution Lead-Zirconate Lead-Titanate (PZT), on the Zirconium-rich, antiferroelectric side, was investigated. In literature the modification of PZT with Lanthanum is widely investigated. The introd ... more

Posters

Simulating the influence of depolarization on the structural and electronic properties of self-assembled monolayers
Iris Hehn¹, Manuel Vieider¹, Otello Maria Roscioni², Luca Muccioli², David Egger¹, Swen Schuster³, Michael Zharnikov³, Claudio Zannoni², and Egbert Zojer¹, ¹ Institute of Solid State Physics, Graz University of Technology, ² Dipartimento di Chimica Industriale “Toso Montanari”, Università di Bologna, ³ Applied Ph

Inkjet Printing of Silver Structures Used as Bottom Electrodes in Organic Solar Cells
Florian Kolb, NanoTecCenter Weiz Forschungsgesellschaft mbH

Surface structuring by Electron Beam Technique in titanium alloys for medical applications
C. Ramskogler1, S. Mostofi2, F. Warchomicka1, A. Weinberg2, C. Sommitsch1, 1) Institute of Materials Science and Welding , Graz University of Technology 2) Department of Orthopaedics, Medical University Graz

Influence of Hafnium Doping on Properties of PLZT
Yasmin Bürkl, Theresa Kainz, Klaus Reichmann

When the performance of a ceramic material is to be modified, in many cases dopants are used to achieve this goal. Those can differ in the following parameters regarding the ions they are replacing: ionic radius, valency or atomic mass. It is difficult to discern in which way eac ... more

Formation of the Kondo screening cloud
Martin Nuss

We study the nonequilibrium formation of a spin screening-cloud that accompanies the quenching of a local magnetic moment immersed in a Fermi sea at zero temperature. Based on high precision density matrix renormalization group results for the interacting single impurity Anderson ... more
Presentation file: Poster_SIAMcorrelations.pdf

EBIC measurements on biased samples
Martin Faccinelli

Electron Beam Induced Current (EBIC) is one type of signal which can be used inside a Scanning Electron Microscope (SEM) to create a 2D image of a microscopic structure. In contrast to the secondary electron signal which is usually used to get topographic information of a sample, ... more

Investigation of performance limiting point defects in SiC MOSFETs using electrically detected magnetic resonance
Gernot Gruber

Defects at semiconductor-oxide interfaces in the channel of a transistor can act as trapping or scattering centers thereby limiting the carrier lifetime, degrading the carrier mobility, shifting the threshold voltage and causing parasitic device leakage currents. For certain high ... more

The systematic process of material selection using the example of shuttle vehicles
Michael Aigner

Shuttle vehicles in warehouse systems are gaining increasing importance. With respect to further developments regarding the materials selection for various components, it is indispensable to find appropriate compromises between functions, weight, costs etc. Since there is a wide ... more

Efficient cluster-based solvers for dynamical mean-field theory
Manuel Zingl

The physics of materials with strongly correlated electrons is one of the most fascinating topics in modern solid-state research. Standard band structure methods often provide even qualitatively wrong results and are not suitable for an accurate description of such systems and th ... more

Hole-Transport Layers Beyond PEDOT:PSS – Low-Temperature Solution-Processed MoOx derivatives Organic Solar Cell
Huei-Ting Chien

Organic photovoltaic solar cells (OPV) have received considerable attention around the world in recent years as a potential source of renewable energy. The advantages of OPV include easy fabrication, light weight, low manufacturing cost and potential mechanical flexibility. The ... more

Interplay of surface reconstruction, coverage, tail-group substitution and van der Waals interactions affecting the electronic and structural properties of self-assembled monolayers
Elisabeth Verwüster, David A. Egger and Egbert Zojer

The deposition of self-assembled monolayers (SAMs) is an efficient way of tuning the properties of interfaces. Even if such systems are stabilized by being covalently linked to an underlying metallic substrate, van der Waals interactions play an essential role in the assembly of ... more

Modification of the electronic structure of graphene and hexagonal boron nitride using collective electrostatic effects
Gernot J. Kraberger

Finding novel electronic applications based on the seminal material graphene is a relatively new, but quickly growing field. In this context, controlling the electronic properties of graphene through modifying its structure and chemical composition is an appealing strategy. Here, ... more

Dye functionalized Polymer architectures
Manuel Hollauf(a), Merima Cajlakovic(b), Stefan Köstler(b), Paul Hartmann(b), Gregor Trimmel(a)

Incoherent up-conversion of Photons by sensitized Triplet-Triplet-Annihilation (TTA) of emitter molecules is a relatively efficient process to transfer electromagnetic radiation of low energy into higher energies (e.g., near-infrared to visible radiation). In a first step a sensi ... more

Plasma Deposited Proton Conductive Organic Membranes for Fuel Cells
Georg Urstöger

Proton conductive copolymers of hexamethyldisiloxane (HMDSO) and methacrylic acid (MAA) are synthesized by Plasma Enhanced Chemical Vapour Deposition (PECVD). The MAA provides the –COOH groups useful to conduct protons, while the HMDSO is responsible for creating the hydrophobi ... more

Three S: Smart Multi Stimuli-responsive Supports for Controlled Cell Growth
Katrin Unger, Anna Coclite

Human tissue cells sense and response to each other as well as to their local environment, the extracellular matrix. The effects of the mechanical stiffness of the extracellular matrix to cell shape, mobility, and especial stem-cell differentiation has become an interesting resea ... more

Deposition and characterization of proton conductive polymers
Christian Ranacher

Being able to easily synthetize electrolytes to serve as proton exchange membranes (PEM) in fuel cells with proton conductivities comparable to the actual benchmark, Nafion® is of high technological interest. In a first approach we tried to reproduce the domains of this commerci ... more

Morphology study of CZTS formed at diverse annealing conditions using different precursor routes
Verena Harum(a), Christine Buchmaier(a), Thomas Rath(a), Stefan Müller(b), Ferdinand Hofer(c), Roland Resel(d), Gregor Trimmel(a)

Kesterite-type Cu2ZnSnS4 (CZTS) is a very promising absorber material for low cost and high efficiency thin film photovoltaic modules due to its direct band gap of 1.5 eV and due to its high absorption coefficient. Especially direct solution coating approaches for depositing kest ... more

Characterization of Li charging state of Li₁₋ₓCoO₂ battery cathodes by means of SQUID magnetometry
Gregor Klinser¹, Stefan Topolovec¹, Heinz Krenn², Harald Kren³, Stefan Koller³ and Roland Würschum¹

Research in the field of modern battery materials demands for characterization techniques which may yield insight in the atomistic processes of battery charging and discharging. In the present work SQUID magnetometry is used in order to study the battery cathode material Lì ... more

The rechargeable magnesium ion battery: An investigation of possible electrolytes
Alexandra Ploner

The rechargeable magnesium battery has the potential of replacing lithium ion batteries in the area of electromobility. In contrast to lithium, the electrochemical deposition and dissolution of magnesium is not plagued by dendrite formation. The high volumetric capacity of 3832 m ... more

Studying the correlations between electrochemical processes and magnetic properties by using in-situ cyclic voltammetry in a SQUID
Stefan Topolovec¹, Heinz Krenn², Roland Würschum¹

The combination of magnetism and electrochemistry has attracted considerable attention in the last years. On the one hand, a promising research field was recently opened up with in-situ studying the influence of electrochemical charging processes on the magnetic properties of hig ... more

Subphthalocyanines on Cu(111): Example for strong metal-molecule interactions
Shashank S. Harivyasi, Elisabeth Wruss, Oliver T. Hofmann, Nahid Ilyas, Oliver L. A. Monti and Egbert Zojer

The large charge injection barrier at metal-organic semiconductor interfaces lead to a high onset voltage which reduces device efficiency. Self-assembled monolayers of organic molecules may be used to decrease the onset voltage by modifying the work function of the metal. A domin ... more

Electrochemically Tunable Properties of Porous Nanophase Material
Eva-Maria Steyskal [1], Stefan Topolovec [1], Heinz Krenn [2], Stephan Landgraf [3], Roland Würschum [1]

Materials with tunable properties under an applied electric field are of great interest in many technology areas, ranging from basic research to industrial applications. For bulk materials, an observable property tuning is limited to nonmetals such as semiconductors or piezoceram ... more

Fracture behaviour investigation in polymers by 3D-reconstruction of cracks
M. Nachtnebel, A. Zankel, C. Mayrhofer, M. Gahleitner*, P. Pölt

The fracture of polymers, especially of polypropylene, is an already widely investigated topic. By far the majority of these investigations are however based upon parameters and characteristics resulting from mechanical tests, e.g. stress–strain diagrams from tensile tests. Add ... more

Modelling XPS Spectra of Partly Fluorinated Alkylthiolates
Thomas C. Taucher¹, David A. Egger¹·², and Egbert Zojer¹

In this contribution, we investigate the applicability of slab-type density functional theory-based band structure calculations to quantitatively model XPS core-level shifts at metal-organic interfaces. The focus lies on partially fluorinated alkylthiolates on a Au(111) surface ... more

Li Insertion Behaviour of Rutile TiO2 Nanorods as Anode Material in Lithium-Ion Batteries
M. Uitz,[1,2] P. Bottke,[1,2] W. Schmidt,[1] M. Wark,[2,3] I. Hanzu,[1,2] and M. Wilkening[1,2]

Nanocrystalline transition metal oxides have been intensively studied as promising anode materials in secondary lithium-ion batteries (LIBs) [1]. Compared to their coarse grained counterparts the increased electrochemical performance, resulting in high reversible capacities, is d ... more