Modelling Electroactive Conjugated Materials at the Multiscale

Press

The University of Bath has issued a press release about Modecom. Click here to see the release.
Radio Bristol had a news item on Modecom (19 April 2007). Click here to listen to the broadcast.
ITV West featured Modecom in their local news at lunchtime and evening (20 April 2007).

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Publications

Publications involving Modecom partners (underlined) in areas covered by Modecom are listed below:

  • F Castet, P Aurel, A Fritsch, L Ducasse, D Liotard, M Linares, J Cornil,D Beljonne
    Electronic polarization effects on charge carriers in anthracene: A valence bond study
    Phys. Rev. B 2008 77 115210
    Download paper; doi:10.1103/PhysRevB.77.115210
  • C Bacchiocchi, E Hennebicq, S Orlandi, L Muccioli, D Beljonne, C Zannoni
    "Reduced" Distributed Monopole Model for the Efficient Prediction of Energy Transfer in Condensed Phases
    J. Phys. Chem. B 2008 112 1752
    Download paper; doi:10.1021/jp076732w
  • T-S Ahn, A M. Müller, R O Al-Kaysi, F C Spano,
    J E Norton, D Beljonne, J-L Brédas, C Bardeen
    Experimental and theoretical study of temperature dependent exciton delocalization and relaxation in anthracene thin films
    J. Chem. Phys. 2008 128 054505
    Download paper; doi:10.1063/1.2822310
  • C Curutchet, B Mennucci, G D. Scholes, D Beljonne
    Does Förster Theory Predict the Rate of Electronic Energy Transfer for a Model Dyad at Low Temperature?
    J Phys Chem B 2008 112 3759
    Download paper; doi:10.1021/jp7106507
  • B Van Averbeke, D Beljonne, E Hennebicq
    Energy Transport along Conjugated Polymer Chains: Through-Space or Through-Bond?
    Advanced Functional Materials 2008 18 492
    Download paper; doi:10.1002/adfm.200700574
  • B M Medina, D Beljonne, H-J Egelhaaf, J Gierschner Effect of Fluorination on the electronic structure and optical excitations of pi-conjugated oligomers
    J Chem Phys 2007 126 111101
    Download paper; doi:101063/1.2713096
  • S Athanasopoulos, J Kirkpatrick, D Martinez, J M Frost, C M Foden, A B Walker, J Nelson Predictive Study of charge transport in disordered semiconducting polymers
    Nano Letters 2007 7 1785
    Download paper; doi:10.1021/nl0708718
  • L J Wang, Q Peng, Q K Li, Z Shuai
    Roles of inter- and intramolecular vibrations and band-hopping crossover in the charge transport in naphthalene crystal
    J Chem Phys 2007 127 044506
    Download paper; doi:10.1063/1.2751191
  • Q Peng, Y Yi, Z Shuai, J Shao, Excited state radiationless decay process with Duschinsky rotation effect: formalism and implementation
    J Chem Phys 2007 126 114302
    Download paper; doi:101063/1.2710274
  • L Poulsen, M Jazdzyk, J-E Communal, J Carlos Sancho-García, A Mura, G Bongiovanni, D Beljonne, J Cornil, M Hanack, H-J Egelhaaf,J Gierschner
    Three-Dimensional Energy Transport in Highly Luminescent Host-Guest Crystals: A Quantitative Experimental and Theoretical Study
    J. Am. Chem. Soc. 2007129 8585
    Download paper; doi:10.1021/ja0714437
  • J Gierschner, B M Medina, H-J Eglehaaf,D Beljonne, J-L Brédas
    Polymeric Materials Science and Engineering. 2007 96 753