Methodological assessment of kinetic Monte Carlo simulations of organic photovoltaic devices: The treatment of electrostatic interactions

Mosè Casalegno; Guido Raos; Riccardo Po

doi:10.1063/1.3337909

Methodological assessment of kinetic Monte Carlo simulations of organic photovoltaic devices: The treatment of electrostatic interactions

The Journal of Chemical Physics ◽

10.1063/1.3337909 ◽

2010 ◽

Vol 132 (9) ◽

pp. 094705 ◽

Cited By ~ 59

Author(s):

Mosè Casalegno ◽

Guido Raos ◽

Riccardo Po

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Electrostatic Interactions ◽

Kinetic Monte Carlo ◽

Organic Photovoltaic ◽

Photovoltaic Devices ◽

Organic Photovoltaic Devices ◽

Kinetic Monte Carlo Simulations ◽

Methodological Assessment

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Kinetic Monte Carlo simulations to Investigate The effects of interfaces in organic photovoltaic cells including a realistic blend morphology

2015 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD) ◽

10.1109/sispad.2015.7292358 ◽

2015 ◽

Author(s):

Tim Albes ◽

Paolo Lugli ◽

Alessio Gagliardi

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Kinetic Monte Carlo ◽

Photovoltaic Cells ◽

Organic Photovoltaic ◽

Organic Photovoltaic Cells ◽

Blend Morphology ◽

Kinetic Monte Carlo Simulations

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Developing understanding of organic photovoltaic devices: kinetic Monte Carlo models of geminate and non-geminate recombination, charge transport and charge extraction

Energy & Environmental Science ◽

10.1039/c3ee41621f ◽

2013 ◽

Vol 6 (11) ◽

pp. 3202 ◽

Cited By ~ 63

Author(s):

Chris Groves

Keyword(s):

Monte Carlo ◽

Charge Transport ◽

Kinetic Monte Carlo ◽

Organic Photovoltaic ◽

Geminate Recombination ◽

Photovoltaic Devices ◽

Organic Photovoltaic Devices ◽

Charge Extraction

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Are hot charge transfer states the primary cause of efficient free-charge generation in polymer:fullerene organic photovoltaic devices? A kinetic Monte Carlo study

Physical Chemistry Chemical Physics ◽

10.1039/c4cp01626b ◽

2014 ◽

Vol 16 (38) ◽

pp. 20310-20320 ◽

Cited By ~ 28

Author(s):

Matthew L. Jones ◽

Reesha Dyer ◽

Nigel Clarke ◽

Chris Groves

Keyword(s):

Monte Carlo ◽

Charge Transfer ◽

Kinetic Monte Carlo ◽

Monte Carlo Study ◽

Organic Photovoltaic ◽

Free Charge ◽

Photovoltaic Devices ◽

Organic Photovoltaic Devices ◽

Charge Generation

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Stochastic Perturbation Algorithms for Kinetic Monte Carlo Simulations

SNA + MC 2013 - Joint International Conference on Supercomputing in Nuclear Applications + Monte Carlo ◽

10.1051/snamc/201403407 ◽

2014 ◽

Author(s):

Hyung Jin Shim

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Kinetic Monte Carlo ◽

Stochastic Perturbation ◽

Kinetic Monte Carlo Simulations

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Zero-variance schemes for kinetic Monte Carlo simulations

The European Physical Journal Plus ◽

10.1140/epjp/s13360-020-00387-8 ◽

2020 ◽

Vol 135 (5) ◽

Cited By ~ 1

Author(s):

Davide Mancusi ◽

Andrea Zoia

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Kinetic Monte Carlo ◽

Kinetic Monte Carlo Simulations

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Kinetic Monte Carlo simulations of vacancy diffusion in nondilute Ni- X ( X = Re, W, Ta) alloys

Physical Review Materials ◽

10.1103/physrevmaterials.2.123403 ◽

2018 ◽

Vol 2 (12) ◽

Cited By ~ 3

Author(s):

Maximilian Grabowski ◽

Jutta Rogal ◽

Ralf Drautz

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Kinetic Monte Carlo ◽

Vacancy Diffusion ◽

Kinetic Monte Carlo Simulations

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Kinetic Monte Carlo Simulations of the Grain-surface Back-diffusion Effect

The Astrophysical Journal ◽

10.3847/1538-4357/aa6ea7 ◽

2017 ◽

Vol 840 (2) ◽

pp. 61 ◽

Cited By ~ 10

Author(s):

Eric R. Willis ◽

Robin T. Garrod

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Kinetic Monte Carlo ◽

Back Diffusion ◽

Diffusion Effect ◽

Kinetic Monte Carlo Simulations ◽

Grain Surface

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Effect of quantum confinement of surface electrons on an atomic motion on nanoislands:Ab initiocalculations and kinetic Monte Carlo simulations

Physical Review B ◽

10.1103/physrevb.78.041405 ◽

2008 ◽

Vol 78 (4) ◽

Cited By ~ 7

Author(s):

A. S. Smirnov ◽

N. N. Negulyaev ◽

L. Niebergall ◽

W. Hergert ◽

A. M. Saletsky ◽

...

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Quantum Confinement ◽

Kinetic Monte Carlo ◽

Atomic Motion ◽

Surface Electrons ◽

Kinetic Monte Carlo Simulations

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Effects of growth conditions on heteroepitaxial thin films: Fast kinetic Monte Carlo simulations

Journal of Crystal Growth ◽

10.1016/j.jcrysgro.2014.09.050 ◽

2015 ◽

Vol 409 ◽

pp. 27-31 ◽

Cited By ~ 4

Author(s):

M. Klawtanong ◽

C. Srinitiwarawong ◽

P. Chatraphorn

Keyword(s):

Thin Films ◽

Monte Carlo ◽

Monte Carlo Simulations ◽

Kinetic Monte Carlo ◽

Growth Conditions ◽

Kinetic Monte Carlo Simulations ◽

Fast Kinetic

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Temporal coarse-graining of microscopic-lattice kinetic Monte Carlo simulations viaτleaping

Physical Review E ◽

10.1103/physreve.78.046713 ◽

2008 ◽

Vol 78 (4) ◽

Cited By ~ 11

Author(s):

D. G. Vlachos

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Kinetic Monte Carlo ◽

Coarse Graining ◽

Kinetic Monte Carlo Simulations

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