Ramos, MMD and Correia, HMG and Ribeiro, RM and Stoneham, AM (2004) Mesoscopic modelling of bipolar charge evolution in CN-PPV LEDs. Synthetic Metals , 147 (1-3) 281 - 286. 10.1016/j.synthmet.2004.05.032.
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Since various chances are possible in the molecular structure of the repeat unit, substituted poly(para-phenylenevinylene) (PPV) has ben used as active component in light-emitting diodes (LEDs) to obtain light emission in a wide range of colours.A major aspect determining device performance is the competition between current flow, trapping and recombination within the polymer layer. By suitable Monte Carlo calculations, we have performed computer experiments in which bipolar charge carriers are injected at constant rate in polymer networks made of cyano-substituted PPV chains with variable length and orientation. The intra-molecular electronic properties used in these simulations were calculated by a quantum molecular dynamics method. In order to assess the influence of cyano-substitution on the properties of single-layer PPV LEDs, we have focused our attention on bipolar charge evolution in time. Specifically addressed are the differences in electric field strength needed for intra-molecular charge mobility of electrons and holes and their consequences at mesoscopic scale. (C) 2004 Elsevier B.V. All rights reserved.
|Title:||Mesoscopic modelling of bipolar charge evolution in CN-PPV LEDs|
|Open access status:||An open access publication. A version is also available from UCL Discovery.|
|Additional information:||Text made available to UCL Discovery by kind permission of Elsevier B.V., 2012. Special issue containing papers presented at the Symposium F - Supramolecular approaches to organic electronics and nanotechnology, at the 2004 European Materials Research Society Spring Meeting, May 24-28, 2004, Strasbourg, France|
|Keywords:||Mesoscopic modelling, charge distribution, recombination efficiency, CN-PPV, LED, LIGHT-EMITTING-DIODES, CONJUGATED POLYMERS, CONDUCTING POLYMERS, FILMS|
|UCL classification:||UCL > School of BEAMS > Faculty of Maths and Physical Sciences > London Centre for Nanotechnology|
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