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SUMMARY:Molecular simulations of high-efficiency perovskite solar cells - 
 Paramvir Ahlawat (Cambridge)
DTSTART:20230302T140000Z
DTEND:20230302T150000Z
UID:TALK197314@talks.cam.ac.uk
CONTACT:Bo Peng
DESCRIPTION:Halide perovskites are at the forefront of material's research
  with their wide range of applications from light emitting diodes (LEDs) t
 o cheaper perovskite solar cells (PSCs). Solar to power conversion efficie
 ncy of PSCs is now >25% [1\,2] and perovskite-silicon tandem reaching ~33%
 [1] even exceeding GaAs. Control over morphological evolution is the key f
 or the superior performances and long-term stability. I perform molecular 
 simulations to understand [1\,2\,3\,4] and predict [5] the phase transitio
 ns in halide perovskite\, thereby helping and guiding experimental methodo
 logies. Over the last decade to now\, almost 20000 papers published on hal
 ide perovskites\, however this field suffer from reproducibility and lack 
 of fundamental understanding of material properties and synthesis process 
 as experimental efforts have been based on trial-and-error efforts to obta
 in higher efficiencies. In this talk\, first I will discuss key fundamenta
 l problems of this field which are beyond the reach of state-of-the-art ex
 perimental techniques. Second\, I will show how molecular simulations can 
 play a key role to solve the main problems and help experimentalists for i
 ndustrialization of a high-efficiency perovskite solar cell.\n\n[1] https:
 //www.nrel.gov/pv/interactive-cell-efficiency.html\n[2] Jeong\, Jaeki\, Mi
 njin Kim\, Jongdeuk Seo\, Haizhou Lu\, Paramvir Ahlawat\, et al. "Pseudo-h
 alide anion engineering for α-FAPbI3 perovskite solar cells." Nature 592\
 , (2021).\n[3] Lu\, Haizhou\, Yuhang Liu\, Paramvir Ahlawat\, et al. "Vapo
 r-assisted deposition of highly efficient\, stable black-phase FAPbI3 pero
 vskite solar cells." Science 370\, (2020).\n[4] Paramvir Ahlawat\,et al. "
 Atomistic mechanism of the nucleation of methylammonium lead iodide perovs
 kite from solution." Chemistry of Materials 32\, (2019).\n[5] Paramvir Ahl
 awat\, et al. "A combined molecular dynamics and experimental study of two
 -step process enabling low-temperature formation of phase-pure α-FAPbI3."
  Science Advances 7.17 (2021).
LOCATION:TCM Seminar Room
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