Data related to the article "Frequency-dependent impedance of nanocapacitors from electrode charge fluctuations as a probe of electrolyte dynamics"

Contains input files and data used to generate the figures of the article: Frequency-dependent impedance of nanocapacitors from electrode charge fluctuations as a probe of electrolyte dynamics (Giovanni Pireddu and Benjamin Rotenberg) arXiv: https://arxiv.org/abs/2206.13322 The folder EXAMPLE_INPUT_FILES contains typical MetalWalls (repository) input files used to perform the simulations. The folder DATA_FIGURES contains the processed data used to plot all the figures of the paper (see below). The 'd*' labels are used in the directory or file names to refer to the following interelectrode distances considered: - 'd1' corresponds to 2.51 nm; - 'd2' corresponds to 4.94 nm; - 'd3' corresponds to 9.76 nm; - 'd4' corresponds to 19.42 nm; Figure 1: - 'Fig1_Continuum.dat': - Capacitance calculated considering a continuum approximation - 'Fig1_DDS.dat': - Capacitance calculated considering the DDS model (three capacitors in series) - 'Fig1_MD.dat': - Capacitance calculated from MD simulations. Includes the capacitance of the empty capacitor. Figure 2: Panel A - 'Fig2_QACFd*.dat': - Time autocorrelation function of the electrode charge fluctuations Panel B - 'Fig2_Qrampd*.dat': - Charge profile upon a step in voltage (0 to 1 V) - 'Fig2_Vramp.dat': - Voltage ramp related to the charging profiles Panel C - 'Fig2_QACFNormd*.dat': - Normalized charge autocorrelation function -'Fig2_QrampNormd*.dat' - Normalized charge profile Figure 3: - 'Fig3_MDd*.dat': - Real and imaginary parts of impedance as estimated from MD simulations - 'Fig3_ECd*.dat' - Real and imaginary parts of impedance as calculated from the equivalent circuit models Figure 4: - 'Fig4_MDd*.dat': - Magnitude of admittance as estimated from MD simulations - 'Fig4_Debyed*.dat': - Magnitude of admittance as calculated from the Debye relaxation model Inset - 'Fig4_MDTau.dat': - Relaxation time estimated from MD simulations - 'Fig4_TauFit.dat': - Fit of the relaxation time