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SUMMARY:IMX Seminar Series - Computational engineering of halide perovskit
 es
DTSTART:20211213T131500
DTEND:20211213T141500
DTSTAMP:20260407T002814Z
UID:79e26ae5524357122f3c0c8525a72b4640b578a0e6ecdb0c1c0fd1db
CATEGORIES:Conferences - Seminars
DESCRIPTION:Prof. Feliciano Giustino\, University of Texas\, USA\nDuring t
 he past decade halide peroskites have revolutionized research on solar pho
 tovoltaics. With a solar-to-electricity power conversion efficiency above 
 25%\, halide perovskites are the first solution-processable technology to 
 rival silicon photovoltaics. In this talk I will discuss how computational
  materials research and atomic-scale quantum simulations can contribute to
  this vast and exciting field by shedding light onto the microscopic mecha
 nisms that underpin the operation of perovskite-based devices. In the firs
 t part of the talk I will discuss our work on the charge transport propert
 ies of these systems. I will show that understanding transport phenomena i
 n perovskites requires a detailed characterization of the electronic struc
 ture\, the lattice dynamics\, and the electron-vibration couplings using q
 uantum-mechanical calculations and state-of-the-art experimental spectrosc
 opy. In the second part of the talk I will discuss the computational desig
 n and the experimental realization of new halide perovskites. I will illus
 trate successful strategies for the computational design of new perovskite
 s and double perovskites using combinatorial chemistry and geometric descr
 iptors. I will show how these approaches\, when integrated with experiment
 al synthesis and characterization\, can deliver new materials with high po
 tential in photovoltaics and lighting technology. Finally\, I will argue t
 hat only a small subset of all possible perovskites is currently known\, a
 nd much work is still needed to discover new materials of this family and 
 to explore their technological uses.\nBio: Feliciano Giustino is the W. A.
  Tex Moncrief Chair in Quantum Materials Engineering and Professor of Phys
 ics at the University of Texas\, Austin. He earned his Ph.D. in Physics at
  the Ecole Polytechnique Fédérale de Lausanne (EPFL)\, Switzerland\, and
  held a post-doctoral appointment at the University of California\, Berkel
 ey. Prior to joining the University of Texas he spent over a decade at the
  University of Oxford as Professor of Materials Science\, and one year at 
 Cornell University as the Mary Shepard B. Upson Visiting Professor in Engi
 neering. He is the recipient of a Leverhulme Research Leadership Award and
  a Fellow of the American Physical Society. Giustino specializes in electr
 onic structure theory\, high-performance computing\, and the atomic-scale 
 design of advanced materials using quantum mechanics. He is author of 150+
  scientific publications and one book on density-functional theory publish
 ed by Oxford University Press. He initiated the open-source software proje
 ct EPW for ab initio calculations of electron-phonon interactions\, which 
 is regularly used by research groups around the world.
LOCATION:https://epfl.zoom.us/j/63529996287
STATUS:CONFIRMED
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