News

Refined DFTB for perovskites

Sander defended his Master thesis on the refinement of DFTB parameters for studying the phase stability of halide perovskites and received a grade of 9.5!

Reactive force field

Mike defended his master thesis on reactive force field MD simulations of perovskites and the work is published on J. Phys. Chem. Lett.

Theory of phase separation

Zehua developed a unified thermodynamic theory for the segregation of mixed halide perovskites, published on Nature Communications.

Stabilizing perovskite QDs

Junke discovers that Na doping stabilizes Sn-Pb perovskite QDs via strong binding with surface ligands on J. Mater. Chem. A.

Three preprints in a week!

Haibo, Vicent and Mike have published three preprints on their recent results on studying halide perovskites, using DFT, DFTB and ReaxFF, respectively.

Stabilizing perovskite LEDs

On Nature Communications, Sofia shows PAAI long-chain molecule improves operation lifetime of perovskite LEDs.