Impact of ring torsion dynamics on intrachain charge transport in conjugated polymers

Physical Review B - Condensed Matter and Materials Physics

Volumn 79, Issue 1, 2009, Pages

  Hultell, Magnus ^a   Stafström, Sven ^a  

^a LINKÖPING UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 59249088596     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.79.014302     Document Type: Article

References (24)

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21. In these simulations we used the value K2 =20 eV/ rad2, which is lower than what has previously been used for PPV (Ref.) but required in order to keep the structural integrity of the chain during simulation. Note that, even with K2 =20 eV/ rad2 we are still able to obtain a good reproduction of the neutral ground-state configuration as well as to reproduce the charge-carrier dynamics observed in Ref..
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