Breaking the Condon Approximation for Light Emission from Metal Halide Perovskite Nanocrystals.
Dallas StrandellYifan WuCarlos Mora-PerezOleg V PrezhdoPatanjali KambhampatiPublished in: The journal of physical chemistry letters (2023)
The idea that the electronic transition dipole moment does not depend upon nuclear excursions is the Condon approximation and is central to most spectroscopy, especially in the solid state. We show a strong breakdown of the Condon approximation in the time-resolved photoluminescence from CsPbBr 3 metal halide perovskite semiconductor nanocrystals. Experiments reveal that the electronic transition dipole moment increases on the 30 ps time scale due to structural dynamics in the lattice. Ab initio molecular dynamics calculations quantitatively reproduce experiments by considering excitation-induced structural dynamics.
Keyphrases
- solid state
- molecular dynamics
- room temperature
- energy transfer
- density functional theory
- solar cells
- ionic liquid
- quantum dots
- high glucose
- diabetic rats
- genome wide
- high efficiency
- perovskite solar cells
- drug induced
- oxidative stress
- molecular dynamics simulations
- dna methylation
- endothelial cells
- single molecule
- monte carlo