Data for "Numerical Model to Simulate Electrochemical Charging of Nanocrystal Films"

Licensed under: CC BY-NC-SA

Most of the data in this dataset are raw .csv files which were directly outputted by the simulator. In addition, some experimental data is included, which was obtained earlier in electrochemical experiments. Data are either cyclic voltammograms or states obtained during the simulations (containing the concentration and potential profiles at a certain moment in time). The simulator program itself and accompanying instructions are available via github (github.com/RFUbbink/QDfilmsim).
For more information contact: r.f.ubbink@tudelft.nl

Python scripts are included which can be used to directly convert the raw data into the graphics used in the article. Python scripts needs to be run from e.g. spyder environment, does not run as independent script. 

For Figures 2, S4, 4, S8 and S6:
Data are states obtained during the simulation. Interpreration is tricky, as all number are posted in a singel column. They are ordered as follows:

electron concentrations (in amount of particles m-3)
cation concentrations
anion concentrations
electron currents (in amount of particles m-3 s-1)
cation currents
anion currents
electrostatic potential --> second derivative (in Vm-2)
electrostatic potential --> first derivative == electric field strength (in Vm-1)
electrostatic potential --> actual values (in V)

Within each category, the values are listed ranging from the negative electrode to the positive electrode in space. So the first value is the electron concentration in the first cell (inside negative electrode), the second value in the second cell etc. The total amount of data points thus depends on the number of cells (total datapoints = 9 * number of cells). Number of cells can be found in each python script to make sure these scripts interpret the data correctly. 

For Figures 3, S1 and S2:
These data are cyclic voltammograms. First column = voltage (in V), second column = current density (in Am-2). 


