Work Description

Title: Centimeter-Scale Electron Diffusion in Photoactive Organic Heterostructures Open Access Deposited

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Methodology
  • Codes written in Matlab and Mathematica software packages
Description
  • Mathematica Diffusion Simulation: Programmed by Coburn, Caleb. Simulation of diffusion in organic heterostructures, including least square fits and statistical goodness of fit analysis. Used to calculate fits to transient data in Fig 1, 3 and Extended Data Fig.2. Example data file included for download Matlab Montecarlo simulation: Programmed by Coburn, Caleb. Montecarlo simulation of charge diffusion on a cubic lattice to determine lateral diffusion length as a function of barrier height, assuming thermionic emission over the barrier. Matlab 2D Diffusion Simulation:Programmed by Coburn, Caleb. Modified from BYU Physics 430 Course Manual. Simulates diffusion around a film discontinuity, such a cut. Used to generate fits to Extended Data Fig. 1
Creator
Depositor
  • calebcob@umich.edu
Contact information
Discipline
Funding agency
  • Department of Energy (DOE)
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Resource type
Last modified
  • 05/16/2018
Published
  • 11/09/2017
Language
DOI
  • https://doi.org/10.7302/6gk4-6v52
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To Cite this Work:
Forrest, S. R., Panda, A., Qu, Y., Che, X., Coburn, C., Burlingame, Q. (2017). Centimeter-Scale Electron Diffusion in Photoactive Organic Heterostructures [Data set], University of Michigan - Deep Blue Data. https://doi.org/10.7302/6gk4-6v52

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Files (Count: 4; Size: 3.73 MB)

Thumbnailthumbnail-column Title Original Upload Last Modified File Size Access Actions
CTB-C60-Neat-Distance-data.txt 2017-11-09 2017-11-09 1.26 MB Open Access
Mathematica Calc Fit and Errorbar.nb 2017-11-09 2017-11-09 2.46 MB Open Access
matlab_2d_cut_sim.m 2017-11-09 2017-11-09 4.42 KB Open Access
matlab_monte_carlo_diffusion_sim.m 2017-11-09 2017-11-09 4.35 KB Open Access

clear; close all;
percentc60 = 50;%Percentage viable hopping sites in the mixed layer
ebarrier = 100;%Energy barrier to entry of the mixed layer from the neat fullerene layer in meV
kt = 26;%RT thermal energy in meV
d=100;%Lattice diemsions in number of lattice sites (assumed 1 nm per site)
l=200;
w=7;
randomblend = rand(d,l,w); %gerate a random matrix with dimension representing depth length width, respectively
randomblend(randomblend1 && randomblend(charges(j,1)-1,charges(j,2),charges(j,3))~=0
charges(j,1) = charges(j,1)-1;
end
elseif stepdir < 3
if charges(j,2)==l-1
collected(j)=1;
totalcollected = totalcollected + 1;
elseif randomblend(charges(j,1),charges(j,2)+1,charges(j,3))~=0
charges(j,2) = charges(j,2)+1;
end
elseif stepdir < 4
if charges(j,2)>1 && randomblend(charges(j,1),charges(j,2)-1,charges(j,3))~=0
charges(j,2) = charges(j,2)-1;
end
elseif stepdir < 5
if charges(j,3) < w && randomblend(charges(j,1),charges(j,2),charges(j,3)+1)~=0
charges(j,3) = charges(j,3)+1;
elseif charges(j,3) == w && randomblend(charges(j,1),charges(j,2),1)~=0
charges(j,3)=1;
end
elseif stepdir < 6
if charges(j,3) > 1 && randomblend(charges(j,1),charges(j,2),charges(j,3)-1)~=0
charges(j,3) = charges(j,3)-1;
elseif charges(j,3) == 1 && randomblend(charges(j,1),charges(j,2),w)~=0
charges(j,3)=w;
end
end
end
end
if mod(step,skip)==0 %periodically plot to visualize charge distribution
figure(1)
plot3(charges(:,1),charges(:,2),charges(:,3),'*')
axis([1 d 1 l 1 w])
title(['Collection Efficiency = ' num2str((totalcollected-totalquenched)/totalcollected) ', P_{up} = ' num2str(ebarrier) ', ' num2str(percentc60) '% C60, % Finished = ' num2str(totalcollected/(N/2))])
view(2)
drawnow
end
step = step + 1;
numinneatlayer(step)=sum(charges(:,1)<11);
end
efficiency = (totalcollected-sum(quenched))/totalcollected %calculate efficiency of charge collection

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