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SUMMARY:Molecular simulations of crystallization of halide perovskites - P
 aramvir Ahlawat\, University of Cambridge
DTSTART:20221107T143000Z
DTEND:20221107T150000Z
UID:TALK192203@talks.cam.ac.uk
CONTACT:Dr M. Simoncelli
DESCRIPTION:Halide perovskites have a wide range of applications from ligh
 t emitting diodes (LEDs) to photo-catalysts to cheaper perovskite solar ce
 lls (PSCs). Certified solar to power conversion efficiency of PSCs is now 
 >25% [1]\, exceeding market leader polycrystalline silicon whereas silicon
 -perovskite tandem reaching >31%[2]. However\, performance and stability o
 f perovskite electronics depends on their morphological evolution\, theref
 ore it is crucial to understand their crystallization processes to gain be
 tter control over the synthesis processes. I perform molecular simulations
  and try to understand [1\,3\,4] and predict [4\,5] the phase transitions 
 in halide perovskite. In this talk\, I will show my attempts on understand
 ing the nucleation and solid-solid phase transitions in halide perovskites
 .\n\n\n[1] Pseudo-halide anion engineering for α-FAPbI3 perovskite solar 
 cells. Nature 592\, (2021).\n\n[2] https://actu.epfl.ch/news/new-world-rec
 ords-perovskite-on-silicon-tandem-sol/\n\n[3] Atomistic mechanism of the n
 ucleation of methylammonium lead iodide perovskite from solution. Chemistr
 y of Materials 32\, (2019).\n\n[4] A combined molecular dynamics and exper
 imental study of two-step process enabling low-temperature formation of ph
 ase-pure α-FAPbI3. Science Advances 7.17 (2021).\n\n[5] Vapor-assisted de
 position of highly efficient\, stable black-phase FAPbI3 perovskite solar 
 cells. Science 370\, (2020).
LOCATION:Dept of Chemistry\, Wolfson Lecture Theatre 
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