Materials Modelling Division
Welcome to our website! Here, you will discover more about our research topics and teaching activities. Navigate through our website and learn more about us. We are looking forward to your response!
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CIGS-Thin film solar cells: Intense sulphirization leads to superior heterojunctions
September 16, 2021
Ab-initio calculations shows that the conduction band offset is strongly reduced by intense sulphurization.
Sulphurization processes in Cu(In,Ga)Se 2 thin-film solar cells have been intensively studied in the last decade as a viable alternative to the existing Ga-grading. In a joined work with experimental groups we reveal how the performance of CIGS thin-film solar cells can be significantly improved.
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Towards Co-free cathode materials
September 16, 2021
Influence of point defects on the phase diagram LiNiO2-NiO2.
By a combination of computer simulations, structural and electrochemical characterization researchers of BASF SE together members of the Materials Modelling Division of TU Darmstadt have unraveled the mystery of the phase diagram of the Co-free cathode material LiNiO 2 -NiO 2 .
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Lisette Haarmann wins Best Early Career Presentation at the E-MRS Spring Meeting 2021
July 09, 2021
E-MRS Spring Meeting 31.05.2021 – 03.06.2021
Congratulations to our colleague Lisette Haarmann for the award she received for her presentation entitled: “On the origin of zero interface resistance in the LLZO / Lithium metal system: An atomistic investigation”.
Prof. Dr. Karsten Albe
Our ambition is to explain or predict properties of defects in materials by computer simulations based on solid-state physics, statistical and materials mechanics.
