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
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