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Title: Exciton dissociation in the presence of phonons: A reduced hierarchy equations of motion approach

Combining the reduced hierarchy equations of motion (HEOM) approach with the Wigner-function formalism, we investigate nonperturbatively exciton dissociation under the influence of a phonon bath in an organic heterojunction. The exciton is modeled by an electron-hole pair with the electron moving in the presence of both an external electric field and the Coulomb attraction potential from the hole. In the absence of a phonon bath, calculated HEOM results reproduce those from the Onsager-Braun theory in weak electric fields. In the presence of a phonon bath, substantial deviations from the Onsager-Braun theory are found, signaling phonon-induced quantum effects. Furthermore, time evolution of the spatial current distribution is examined, and an initial spike followed by a polarity change of the transient photocurrent have been recovered.
Authors:
 [1] ;  [2] ;  [3] ;  [1]
  1. Division of Materials Science, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore)
  2. (China)
  3. State Key Laboratory of Surface Physics and Department of Physics, Fudan University, Shanghai 200433 (China)
Publication Date:
OSTI Identifier:
22253454
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 140; Journal Issue: 10; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; COULOMB FIELD; DISSOCIATION; ELECTRONS; EQUATIONS OF MOTION; PHONONS