Exciton mobility control throughsub−Åpacking modifications in molecular crystals

Exciton–Phonon Interactions in Molecular Crystals

Exciton surface states in molecular crystals *

A new Hamiltonian partition method, used previously for cooperative excitations in molecular crystals, has been adopted for the treatment of surface exciton states in molecular crystals. The formation of surface excitons depends on the relative magnitude of the exciton transfer integrals, J terms, as compared to the environmental shift integrals, D terms. This was established for a sample calcu...

Exciton Dynamics in Phthalocyanine Molecular Crystals

In this paper, the exciton transport properties of an octa(butyl)-substituted metal-free phthalocyanine (H2-OBPc) molecular crystal have been explored by means of a combined computational (molecular dynamics and electronic structure calculations) and theoretical (model Hamiltonian) approximation. The excitonic couplings in phthalocyanines, where multiple quasi-degenerate excited states are pres...

Frenkel versus charge-transfer exciton dispersion in molecular crystals

Pierluigi Cudazzo,1,2,* Matteo Gatti,1,2,3,4 Angel Rubio,1,2,5 and Francesco Sottile2,3 1Nano-Bio Spectroscopy Group, Departamento Fı́sica de Materiales, Universidad del Paı́s Vasco, Centro de Fı́sica de Materiales CSIC-UPV/EHU-MPC and DIPC, Avenida Tolosa 72, E-20018 San Sebastián, Spain 2European Theoretical Spectroscopy Facility (ETSF) 3Laboratoire des Solides Irradiés, École Polytechnique, CNR...

Variational approach to exciton transport in molecular crystals

The variational results for the free energy of an interacting exciton phonon system are used to derive expressions for the scattering rate and diffusion constant of an exciton in such a system. These expressions are applicable to both wide and narrow band cases, and includes the possibility of an abrupt transition from wide band (free) exciton to narrow band (localized) exciton. Some comments a...