Excitons: Energetics and spatio-temporal dynamics

Abstract

The concept of an exciton as a quasiparticle that represents collective excited states was originally adapted from solid-state physics and has been successfully applied to molecular aggregates by relying on the well-established limits of the Wannier exciton and the Frenkel exciton. However, the study of excitons in more complex chemical systems and solid materials over the past two decades has made it clear that simple concepts based on Wannier or Frenkel excitons are not sufficient to describe detailed excitonic behavior, especially in nano-structured solid materials, multichromophoric macromolecules, and complex molecular aggregates. In addition, important effects such as vibronic coupling, the influence of charge-transfer (CT) components, spin-state interconversion, and electronic correlation, which had long been studied but not fully understood, have turned out to play a central role in many systems. This has motivated new experimental approaches and theoretical studies of increasing sophistication. This article provides an overview of works addressing these issues that were published for A Special Topic of the Journal of Chemical Physics on "Excitons: Energetics and spatio-temporal dynamics" and discusses their implications.

6 pages, no figure

References in corpus (13)

• Exciton Transfer in Organic Photovoltaic Cells: A Role of Local and Nonlocal Electron-Phonon Interactions in a Donor Domain
• Probing excited-state dynamics with quantum entangled photons: Correspondence to coherent multidimensional spectroscopy
• Stochastic scattering theory for excitation induced dephasing: Time-dependent nonlinear coherent exciton lineshapes
• Automatic Feynman diagram generation for nonlinear optical spectroscopies
• The dark side of energy transport along excitonic wires: On-site energy barriers facilitate efficient, vibrationally-mediated transport through optically dark subspaces
• Optical properties of exciton in two-dimensional transition metal dichalcogenide nanobubbles
• Density fitting in periodic systems: application to TDHF in diamond and oxides
• First principles modeling of exciton-polaritons in polydiacetylene chains
• Theoretical investigation of non-Förster exciton transfer mechanisms in perylene diimide donor, phenylene bridge, and terrylene diimide acceptor systems
• Effect of Varying the TD-lc-DFTB Range-Separation Parameter on Charge and Energy Transfer in a Model Pentacene/Buckminsterfullerene Heterojunction
• Stochastic scattering theory for excitation induced dephasing: Comparison to the Anderson-Kubo lineshape
• On the Role of Non-Diagonal System-Environment Interactions in Bridge-Mediated Electron Transfer
• Exciton Transfer Using Rates Extracted From the "Hierarchical Equations of Motion''