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Document type:
Zeitschriftenaufsatz 
Author(s):
Kaiser, W.; Popp, J.; Rinderle, M.; Albes, T.; Gagliardi, A. 
Title:
Generalized Kinetic Monte Carlo Framework for Organic Electronics 
Abstract:
In this paper, we present our generalized kinetic Monte Carlo (kMC) framework for the simulation of organic semiconductors and electronic devices such as solar cells (OSCs) and light-emitting diodes (OLEDs). Our model generalizes the geometrical representation of the multifaceted properties of the organic material by the use of a non-cubic, generalized Voronoi tessellation and a model that connects sites to polymer chains. Herewith, we obtain a realistic model for both amorphous and crystalline...    »
 
Keywords:
kinetic Monte Carlo; organic semiconductors; Voronoi tessellation; polymer chains; excitonic processes 
Journal title:
Algorithms 2018, 11(4), 37 (This article belongs to the Special Issue Monte Carlo Methods and Algorithms) 2018-03 
Year:
2018 
Year / month:
2018-03 
Quarter:
1. Quartal 
Month:
Mar 
Pages contribution:
37 
Language:
en 
Fulltext / DOI:
Publisher:
MDPI AG, Basel, Switzerland 
E-ISSN:
1999-4893