Simulating materials one atom at a time
We use Density Functional Theory based multiscale computer simulations to design materials for energy application. Our main focus is perovskite solar cells. Perovskite solar cells have emerged as one of the most promising photovoltaic technologies because of their potentially higher efficiency and lower cost than Si ones. The one remaining challenge is the long-term stability. The state-of-the-art cells are only stable for hundreds of hours. Ion migration as well as chemical reactions are key processes causing degradation. All the above processes are triggered and accelerated by the presence of intrinsic defects in the perovskite and extrinsic device operation stress, such as, thermal stress, light excitation and electrical bias.
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Student opportunities
We are constantly looking for enthusiastic and bright researchers at all levels (BSc, MSc and PhD and Postdoctoral). A few examples of available projects are given here.
We also invite motivated students to discuss with the PI Shuxia Tao and our group members for the latest research projects as the field of perovskite solar cells develops fast and new exciting research questions emerge quickly.
The courses we offer are 3MN200: Computational Materials Science and 3DEX0: Physics of New Energy.
Meet some of our Researchers
Recent Publications
Our most recent peer reviewed publications
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The role of sulfur in sulfur-doped copper(I) iodide p-type transparent conductors
Matter (2023) -
Discrete Elemental Distributions inside a Single Mixed-Halide Perovskite Nanocrystal for the Self-Assembly of Multiple Quantum-Light Sources
Nano Letters (2023) -
Effect of the Precursor Chemistry on the Crystallization of Triple Cation Mixed Halide Perovskites
Chemistry of Materials (2023) -
Multifunctional Additive CdAc2 for Efficient Perovskite-Based Solar Cells
Advanced Materials (2023) -
In Situ IR SpectroscopyStudies of AtomicLayer-Deposited SnO2 on Formamidinium-Based Lead Halide Perovskite
ACS Applied Materials & Interfaces (2023)
Contact
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Visiting address
Emma ScholtenCascade, room 3.12De Zaale5612 AJ EindhovenNetherlandsfvangastel@ gmail.com -
Visiting address
dr. Mila van de BergBrent Kuiperde Bruijnstraat3515GC SibculoNetherlandsbrands.tyler@ live.nl -
Postal address
Esther HendriksDepartment of Applied PhysicsP.O. Box 5135600 MB EinhovenNetherlandsjordy48@ yuksel.nl -
Postal address
ir. Roan Çiçek ADir. Dirk van Wijk BscDogansingel6222VD VijfhuizenNetherlandselise.janszmuskustepasque@ live.nl -
Teamlead
TeamleadLindsey PetersDuboisring9675LR Menaams.x.tao@ tue.nl