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Article: Estimation of exciton diffusion lengths of organic semiconductors in random domains

TitleEstimation of exciton diffusion lengths of organic semiconductors in random domains
Authors
KeywordsAsymptotic method
Exciton diffusion
Organic semiconductor
Random domain
Uncertainty qualification
Issue Date2018
PublisherAcademic Press. The Journal's web site is located at http://www.elsevier.com/locate/jcp
Citation
Journal of Computational Physics, 2018, v. 376, p. 894-912 How to Cite?
AbstractExciton diffusion length plays a vital role in the function of opto-electronic devices. In many experiments, photoluminescence in a regular domain is measured as the observation data to estimate this length parameter in an inverse manner. However, the domain occupied by the organic semiconductor is often subject to surface measurement error. The result is sometimes sensitive to the surface geometry of the domain and the estimations based on 1D or 2D models are found to be inconsistent due to the uncertainty in the domain boundary. In this paper, we employ a random function representation to address this uncertainty. Our forward model is a diffusion-type equation over the domain whose geometric boundary is subject to small random perturbations. We propose an asymptotic-based method as an approximate forward solver which only needs to solve several deterministic problems over a fixed domain. For the same accuracy requirements we tested here, the running time of our approach is more than one order of magnitude smaller than that of directly solving the original stochastic problem by the stochastic collocation method. From numerical results, we find that the correlation length of randomness is important to determine whether a 1D reduced model is a good surrogate for the 2D model. This discovery suggests that for some materials where both small molecules and polymers can form crystal structures, exciton diffusion can be well described by the 1D model, but for other organic materials with low crystalline order, the reduced 1D model is not sufficiently accurate for diffusion length estimation.
Persistent Identifierhttp://hdl.handle.net/10722/264177
ISSN
2017 Impact Factor: 2.864
2015 SCImago Journal Rankings: 2.167
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorChen, J.R.-
dc.contributor.authorLin, L.-
dc.contributor.authorZhang, Z-
dc.contributor.authorZhou, X-
dc.date.accessioned2018-10-22T07:50:46Z-
dc.date.available2018-10-22T07:50:46Z-
dc.date.issued2018-
dc.identifier.citationJournal of Computational Physics, 2018, v. 376, p. 894-912-
dc.identifier.issn0021-9991-
dc.identifier.urihttp://hdl.handle.net/10722/264177-
dc.description.abstractExciton diffusion length plays a vital role in the function of opto-electronic devices. In many experiments, photoluminescence in a regular domain is measured as the observation data to estimate this length parameter in an inverse manner. However, the domain occupied by the organic semiconductor is often subject to surface measurement error. The result is sometimes sensitive to the surface geometry of the domain and the estimations based on 1D or 2D models are found to be inconsistent due to the uncertainty in the domain boundary. In this paper, we employ a random function representation to address this uncertainty. Our forward model is a diffusion-type equation over the domain whose geometric boundary is subject to small random perturbations. We propose an asymptotic-based method as an approximate forward solver which only needs to solve several deterministic problems over a fixed domain. For the same accuracy requirements we tested here, the running time of our approach is more than one order of magnitude smaller than that of directly solving the original stochastic problem by the stochastic collocation method. From numerical results, we find that the correlation length of randomness is important to determine whether a 1D reduced model is a good surrogate for the 2D model. This discovery suggests that for some materials where both small molecules and polymers can form crystal structures, exciton diffusion can be well described by the 1D model, but for other organic materials with low crystalline order, the reduced 1D model is not sufficiently accurate for diffusion length estimation.-
dc.languageeng-
dc.publisherAcademic Press. The Journal's web site is located at http://www.elsevier.com/locate/jcp-
dc.relation.ispartofJournal of Computational Physics-
dc.subjectAsymptotic method-
dc.subjectExciton diffusion-
dc.subjectOrganic semiconductor-
dc.subjectRandom domain-
dc.subjectUncertainty qualification-
dc.titleEstimation of exciton diffusion lengths of organic semiconductors in random domains-
dc.typeArticle-
dc.identifier.emailZhang, Z: zhangzw@hku.hk-
dc.identifier.authorityZhang, Z=rp02087-
dc.description.naturelink_to_OA_fulltext-
dc.identifier.doi10.1016/j.jcp.2018.10.008-
dc.identifier.scopuseid_2-s2.0-85054814625-
dc.identifier.hkuros294121-
dc.identifier.volume376-
dc.identifier.spage894-
dc.identifier.epage912-
dc.identifier.isiWOS:000450337400041-
dc.publisher.placeUnited States-

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