PMID- 24628158
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20141121
LR  - 20140317
IS  - 1089-7690 (Electronic)
IS  - 0021-9606 (Linking)
VI  - 140
IP  - 10
DP  - 2014 Mar 14
TI  - Exciton dissociation in the presence of phonons: a reduced hierarchy equations of 
      motion approach.
PG  - 104113
LID - 10.1063/1.4867418 [doi]
AB  - 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.
FAU - Yao, Yao
AU  - Yao Y
AD  - Division of Materials Science, Nanyang Technological University, 50 Nanyang 
      Avenue, Singapore 639798.
FAU - Yang, Wenchao
AU  - Yang W
AD  - State Key Laboratory of Surface Physics and Department of Physics, Fudan 
      University, Shanghai 200433, China.
FAU - Zhao, Yang
AU  - Zhao Y
AD  - Division of Materials Science, Nanyang Technological University, 50 Nanyang 
      Avenue, Singapore 639798.
LA  - eng
PT  - Journal Article
PL  - United States
TA  - J Chem Phys
JT  - The Journal of chemical physics
JID - 0375360
EDAT- 2014/03/19 06:00
MHDA- 2014/03/19 06:01
CRDT- 2014/03/18 06:00
PHST- 2014/03/18 06:00 [entrez]
PHST- 2014/03/19 06:00 [pubmed]
PHST- 2014/03/19 06:01 [medline]
AID - 10.1063/1.4867418 [doi]
PST - ppublish
SO  - J Chem Phys. 2014 Mar 14;140(10):104113. doi: 10.1063/1.4867418.