Atomic Scale Modeling of Coherent Phase Transitions in Energy Storage Materials
Hydrogen has emerged as a crucial element in the pursuit of decarbonization and the transition to a sustainable energy ...
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Hydrogen has emerged as a crucial element in the pursuit of decarbonization and the transition to a sustainable energy ...
Laser powder bed fusion (LPBF) is an additive manufacturing technology involving a gradual build-on of layers to form a ...
Layered transition metal oxides, derived from the model system LiCoO2, are used as cathode materials in Li-ion batteries ...
The application of metallic glasses (MGs) is limited by their brittle behavior at room temperature [1]. In order to ...
The simulation of materials on the atomistic scale requires a description of interatomic interactions. Quantum ...
Nowadays, atomistic simulations are becoming more and more important. Due to the increasing availability of ...
The compound semiconductor system Cu(In, Ga)(S, Se)2 (short: CIGS) forms the basis for the currently most efficient thin ...
Metallic glasses (MGs) can be produced by quickly quenching alloy melts. They typically show a higher elastic limit and ...
Ferroelectric ceramics with perovskite structure can be used in novel cooling applications based on the electrocaloric ...
Magnetocaloric materials are of interest for magnetic refrigeration of microfluidic reactors, electronic chips or other ...
Layered transition metal oxides are employed as cathode materials in high-voltage, rechargeable lithium ion batteries ...
One approach to the realization of safer batteries relies on all solid-state batteries (ASSB) which use a non-flammable ...
The fabrication of metallic glasses by laser powder melt fusion provides a new way for the synthesis of metallic glasses ...
Understanding the behavior of different materials not only furthers general knowledge, but can also often be used for ...
For the understanding of materials it is often necessary to analyse them on the atomic scale. Molecular dynamics is a ...
The modification of intrinsic properties of graphene via defects, such as grain boundaries, has been an intense field of ...
Understanding the behavior of different materials not only furthers general knowledge, but can also often be used for ...
The current limits of metallic glasses are tied to their brittle behavior at room temperature [1]. To overcome brittle ...
The project focused on interface phenomena in battery materials and exchange spring magnets but also studied the ...
We model the deformation behaviour of metallic amorphous/crystalline nanolaminate systems using molecular-dynamics ...
Atomistic calculations enable us to observe processes on the micro scale, where common continuum mechanics are not valid ...
In2S3 as alternative for CdS buffer layer in Cu(In, Ga) (S, Se)2 (CIGS)-base thin film solar cells has gained a lot of ...
Improving the efficiency, performance and cost-effectiveness of energy production will depend critically on our ...
Metals show a strong tendency to form crystalline, i.e., ordered phases. For unalloyed metals, the thermodynamically ...
Silicon (Si) is one of the most attractive anode materials of Li-ion batteries [1, 2]. However, despite high specific ...
Metallic glasses (MGs) are of great technological interest because of their high strength and hardness [1]. However ...
Amorphous materials belonging to the family of Lithium Phosphorus Oxynitrides (LiPON) are increasingly popular solid ...