Dissecting the nature and dynamics of electronic excitations in a solid-state aggregate of a representative non-fullerene acceptor
Samuele Giannini, Jesús Cerdá, Giacomo Prampolini, Fabrizio Santoro, David Beljonne
Abstract
Understanding electronic excitations and their dynamics in non-fullerene acceptors is crucial for enhancing opto-electronic properties. Using a Frenkel-exciton Hamiltonian and non-adiabatic dynamics, we reveal design strategies to achieve this goal.
Topics & Concepts
FullereneAdiabatic processMaterials scienceAcceptorExcitonHamiltonian (control theory)Chemical physicsSolid-stateElectronic structureDynamics (music)Statistical physicsCondensed matter physicsQuantum mechanicsEngineering physicsPhysicsMathematicsMathematical optimizationAcousticsSpectroscopy and Quantum Chemical StudiesMolecular Junctions and NanostructuresPhotoreceptor and optogenetics research