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Title: Photoinduced Single- and Multiple-Electron Dynamics Processes Enhanced by Quantum Confinement in Lead Halide Perovskite Quantum Dots

Methylammonium lead iodide perovskite (MAPbI 3) is a promising material for photovoltaic devices. A modification of MAPbI 3 into confined nanostructures is expected to further increase efficiency of solar energy conversion. Photoexcited dynamic processes in a MAPbI3 quantum dot (QD) have been modeled by many-body perturbation theory and nonadiabatic dynamics. A photoexcitation is followed by either exciton cooling (EC), its radiative (RR) or nonradiative recombination (NRR), or multiexciton generation (MEG) processes. Computed times of these processes fall in the order of MEG < EC < RR < NRR, where MEG is on the order of a few femtoseconds, EC is in the picosecond range, while RR and NRR are on the order of nanoseconds. Computed time scales indicate which electronic transition pathways can contribute to increase in charge collection efficiency. Simulated mechanisms of relaxation and their rates show that quantum confinement promotes MEG in MAPbI 3 QDs.
Authors:
 [1] ;  [2] ;  [3] ; ORCiD logo [4]
  1. Univ. of South Dakota, Vermillion, SD (United States). Dept. of Chemistry
  2. North Dakota State Univ., Fargo, ND (United States). Dept. of Physics
  3. L.N. Gumilyov Eurasian National Univ., Astana (Kazakhstan); National Univ. of Science and Technology, Moscow (Russian Federation)
  4. Univ. of South Dakota, Vermillion, SD (United States). Dept. of Chemistry; North Dakota State Univ., Fargo, ND (United States). Dept. of Chemistry and Biochemistry
Publication Date:
Grant/Contract Number:
AC02-05CH11231; CHE-1413614; CHE-1460872
Type:
Published Article
Journal Name:
Journal of Physical Chemistry Letters
Additional Journal Information:
Journal Volume: 8; Journal Issue: 13; Journal ID: ISSN 1948-7185
Publisher:
American Chemical Society
Research Org:
Regents of the University of California, Oakland, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS
OSTI Identifier:
1366550
Alternate Identifier(s):
OSTI ID: 1372297