Subash successfully defended his PhD thesis

Congratulations to Dr. Subash Gireesan, who successfully defended his PhD thesis”Modeling Novel Thermal Transport Phenomena in Semiconductor Nanowires”. A digital copy of his thesis can be found here.
Stabilizing perovskite QDs

Stabilizing perovskite QDs

Perovskites come in all shapes and sizes and perovskite quantum dots (QDs) are one particular form with great potential. Their unique combination of characteristics leads to improved phase stability and increased theoretical photoluminescence quantum yield (PLQY)...

Three preprints in a week!

This week, Haibo, Vicent and Mike have published three preprints on their recent results on studying halide perovskites, using DFT, DFTB and ReaxFF, respectively. These results provide an important basis for a comprehensive multiscale computational framework, that is...
Stabilizing perovskite LEDs

Stabilizing perovskite LEDs

Light emitting diodes (LEDs) are one of the many possible applications for metal halide perovskites. Despite their many advantages, the well-known instability issue persists in these devices, with the ion migration being a major cause of degradation. Inspired by the...

CMPG group at Virtue MRS Spring/Fall meeting

Many of CMPG group members attended 2020 fall MRS (virtue) meeting and presented our recent progress on computational methodology developments and as well as our most recent progress in understanding the materials class of halide perovskites. Shuxia gave talk on the...
Phase stability of perovskites

Phase stability of perovskites

Junke’s second first-author manuscript entitled “Atomistic and Electronic Origin of Phase Instability of Metal Halide Perovskites” is published on ACS Applied Energy Materials. By using DFT calculations, Junke provides insights for the...