Please use this identifier to cite or link to this item: http://hdl.handle.net/1822/3388

TitleEffect of molecular properties on the performance of polymer light-emitting diodes
Author(s)Ramos, Marta M. D.
Almeida, A. M.
Correia, Helena M. G.
Ribeiro, R. M.
Stoneham, A. M.
KeywordsModelling
Charge mobility
Recombination efficiency
Conducting polymer
Electronic-properties
Mobility
Films
Issue dateNov-2004
PublisherElsevier
JournalApplied Surface Science
Citation"Applied Surface Science". ISSN 0169-4332. 238 (2004) 438-443.
Abstract(s)The performance of a single layer polymer light-emitting diode depends on several interdependent factors, although recombination between electrons and holes within the polymer layer is believed to play an important role. Our aim is to carry out computer experiments in which bipolar charge carriers are injected in polymer networks made of poly(p-phenylene vinylene) chains randomly oriented. In these simulations, we follow the charge evolution in time from some initial state to the steady state. The intra-molecular properties of the polymer molecules obtained from self-consistent quantum molecular dynamics calculations are used in the mesoscopic model. The purpose of the present work is to clarify the effects of intra-molecular charge mobility and energy disorder on recombination efficiency. In particular, we find that charge mobility along the polymer chains has a serious influence on recombination within the polymer layer. Our results also show that energy disorder due to differences in ionization potential and electron affinity of neighbouring molecules affects mainly recombinations that occur near the electrodes at polymer chains parallel to them.
TypeArticle
URIhttp://hdl.handle.net/1822/3388
DOI10.1016/j.apsusc.2004.05.168
ISSN0169-4332
Publisher versionhttp://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6THY-4CSP54F-D-D&_cdi=5295&_user=2459786&_orig=search&_coverDate=11%2F15%2F2004&_sk=997619998&view=c&wchp=dGLbVtz-zSkzV&md5=06270cba0f6028ee23966853f2234fa4&ie=/sdarticle.pdf
http://www.elsevier.com/wps/find/journaldescription.cws_home/505669/description#description
Peer-Reviewedyes
AccessOpen access
Appears in Collections:CDF - FCT - Artigos/Papers (with refereeing)

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