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Displaying 1 - 13 of 13
Molecular Dynamics Simulation of Fe-based Magnetocaloric Materials
Magnetocaloric materials are of interest for magnetic refrigeration of microfluidic reactors, electronic chips or other ...
IngenieurwissenschaftenWerkstofftechnik
Interface Phenomena in Battery Materials and Exchange Spring Magnets
The project focused on interface phenomena in battery materials and exchange spring magnets but also studied the ...
IngenieurwissenschaftenWerkstofftechnikMaterialwissenschaft
Influence of Osmolytes on the Solvation of Peptides and Model-Peptides
Trimethylamine-N-oxide (TMAO), a molecule known to stabilize proteins in harsh environments in aquatic organisms, has ...
NaturwissenschaftenBiologische Chemie und Lebensmittelchemie
Simulation von Kohlenstoffnanoröhrchen
Kohlenstoffnanoröhren (englisch: carbon nanotubes, CNTs) besitzen eine Vielzahl interessanter mechanischer Eigenschaften ...
IngenieurwissenschaftenWerkstofftechnik
Density Functional Theory: Study on the Mechanism of the Chloride-Induced Aufbau of Perchlorinated Cyclohexasilanes
Nano- and micrometer-scaled silicon structures are essential components not only in microelectronic but also in ...
NaturwissenschaftenAnalytik, Methodenentwicklung (Chemie)
Modellierung des elektrokalorischen Effekts in bleifreien Relaxor-Ferroelektrika
Natrium Bismut Titanat (NBT) gehört zu der Gruppe der dielektrische Materialien (auch Isolatoren genannt). Dielektrika ...
IngenieurwissenschaftenWerkstofftechnik
Modelling of Extended Defects in CIGS Based Solar Cells
Chalcopyrite Cu(In,Ga)Se2 (CIGSe) are one of the most succesful materials used as absorber layer in thin-film solar ...
IngenieurwissenschaftenWerkstofftechnik
Molecular Dynamics Simulations of Nanoglasses
Metallic glasses (MGs) are of great technological interest because of their high strength and hardness [1]. However ...
IngenieurwissenschaftenWerkstofftechnik
Structure and Properties of Amorphous LiPON Electrolyte by First-Principles Simulations
Amorphous materials belonging to the family of Lithium Phosphorus Oxynitrides (LiPON) are increasingly popular solid ...
IngenieurwissenschaftenWerkstofftechnik
Theoretical Investigation of Electrocyclic Reactions of Siloles
Siloles are five-membered heterocyclic dienes, in which a silicon atom replaces one of the carbon atoms of ...
NaturwissenschaftenAnalytik, Methodenentwicklung (Chemie)
Understanding the Mechanisms of Multidrug Transport Proteins
The Schäfer group is driven by the aim to understand life at the molecular level: can we describe biomolecular systems ...
NaturwissenschaftenBiologische Chemie und Lebensmittelchemie
Well-Defined Iron Catalysts for the Acceptorless Reversible Dehydrogenation-Hydrogenation of Alcohols and Ketones
The oxidation of alcohols to esters and the reverse reaction (reduction of esters to alcohols) is an important chemical ...
NaturwissenschaftenAnalytik, Methodenentwicklung (Chemie)
Improvement of Methods for the Comparison of Protein Binding Sites
The detection of structural similarities between protein binding sites is an important challenge in medicinal drug ...
NaturwissenschaftenBiologische Chemie und Lebensmittelchemie
