Proud to annouce Dozie succesfully defended his thesis: on hydrogen penetration into ruthenium. It is the tale of the H, Ru and Sn, made by DFT and ReaxFF MD simulations. Congratulations Dr. Onwudinanti! The thesis can be read here.
On Journal of Chemical Information and Modelling, Vicent recently show DFTB method, in particular GFN1-x originally developed by Grimme et al , is very promising in predicting the the structures and electronic properties of halide perovskites. The method perfectly...
Congratulations to our bachelor students Hans and Allard for their successfully completion of their bachelor end projects. Hans worked on the DFT study on the reactivities of perovskite precursors with electron transport layer SnO2 and he has gained important...
With the tunability of perovskites through compositional alloying being one of their most attractive properties, the photoinstability arising from the mixing is a very serious drawback. Specifically, in mixed halide perovskites a light induced halide segregation is...
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.
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)...
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