sEQE_Analysis module

Created on Fri Sep 28 11:59:40 2018

@author: Anna Jungbluth

class sEQE_Analysis.MainWindow[source]

Bases: QMainWindow

MLJ_double(E, f, l, Ect)[source]

Marcus-Levich-Jortner theory for double peak fitting

Parameters:

E (list, required) – List of energy values
f (float, required) – Oscillator strength
l (float, required) – Reorganization energy
Ect (float, required) – CT state energy

Returns:

EQE – EQE value

Return type:

float

MLJ_double_disorder(E, f, l, Ect, sig)[source]

Marcus-Levich-Jortner theory including disorder for double peak fitting

Parameters:

E (list, required) – List of energy values
f (float, required) – Oscillator strength
l (float, required) – Reorganization energy
Ect (float, required) – CT state energy
sig (float, required) – Gaussian disorder

Returns:

EQE – EQE value

Return type:

float

MLJ_double_gaussian(E, f, l, Eopt)[source]

Marcus-Levich-Jortner theory to separately fit double peaks

Parameters:

E (list, required) – List of energy values
f (float, required) – Oscillator strength
l (float, required) – Reorganization energy
Eopt (float, required) – S1 peak energy

Returns:

EQE – EQE value

Return type:

float

MLJ_gaussian(E, f, l, Ect)[source]

Marcus-Levich-Jortner theory

Parameters:

E (list, required) – List of energy values
f (float, required) – Oscillator strength
l (float, required) – Reorganization energy
Ect (float, required) – CT state energy

Returns:

EQE – EQE value

Return type:

float

MLJ_gaussian_EL(E, f, l, Ect)[source]

Marcus-Levich-Jortner theory for reduced EL data

Parameters:

E (list, required) – List of energy values
f (float, required) – Oscillator strength
l (float, required) – Reorganization energy
Ect (float, required) – CT state energy

Returns:

EL – Reduced EL value

Return type:

float

MLJ_gaussian_EL_disorder(E, f, l, Ect)[source]

Marcus-Levich-Jortner theory including disorder for reduced EL data

Parameters:

E (list, required) – List of energy values
f (float, required) – Oscillator strength
l (float, required) – Reorganization energy
Ect (float, required) – CT state energy

Returns:

EL – Reduced EL value

Return type:

float

MLJ_gaussian_EQE(E, f, l, Ect)[source]

Marcus-Levich-Jortner theory for reduced EQE data

Parameters:

E (list, required) – List of energy values
f (float, required) – Oscillator strength
l (float, required) – Reorganization energy
Ect (float, required) – CT state energy

Returns:

EQE – Reduced EQE value

Return type:

float

MLJ_gaussian_EQE_disorder(E, f, l, Ect)[source]

Marcus-Levich-Jortner theory including for reduced EQE data

Parameters:

E (list, required) – List of energy values
f (float, required) – Oscillator strength
l (float, required) – Reorganization energy
Ect (float, required) – CT state energy

Returns:

EQE – Reduced EQE value

Return type:

float

MLJ_gaussian_disorder(E, f, l, Ect, sig)[source]

Marcus-Levich-Jortner theory including disorder

Parameters:

E (list, required) – List of energy values
f (float, required) – Oscillator strength
l (float, required) – Reorganization energy
Ect (float, required) – CT state energy
sig (float, required) – Gaussian disorder

Returns:

EQE – EQE value

Return type:

float

add_Fits(data_OptFit, data_CTFit, data_EQE)[source]

Function to add peak fits

Parameters:

data_OptFit (dataFrame, required) – Optical peak fit data
data_CTFit (dataFrame, required) – CT state fit data
data_EQE (dataFrame, required) – EQE data

Return type:

None

calculate_EQE(ref_df, data_df, startNM, stopNM, range_no)[source]

Function to calculate EQE from signal and reference data

Parameters:

ref_df (dataFrame, required) – Dataframe with reference diode measurement
data_df (dataFrame, required) – Dataframe with sample measurement
startNM (float, required) – Start wavelength [nm]
stop (float, required) – Stop wavelength [nm]
range_no (int, required) – Number specifying which data range to compile

Return type:

None

clear_EL_plot()[source]

Function to clear EL plot

Parameters:: None –
Return type:: None

clear_EQE_plot()[source]

Function to clear EQE fit plot

Parameters:: None –
Return type:: None

clear_plot()[source]

Function to clear plot

Parameters:: None –
Return type:: None

double_fit()[source]

Function to perform separate double fit of S1 and CT peaks

Parameters:: None –
Return type:: None

double_fit_MLJ()[source]

Function for separate double peak fitting of S1 and CT state peaks using MLJ theory

Parameters:: None –
Returns:: EQE – EQE value
Return type:: float

export_EQE()[source]

Function to export EQE to csv file

Parameters:: None –
Return type:: None

fit_EL_EQE(energy, y, startE, stopE, data_no)[source]

Function to fit EL and EQE data

Parameters:

energy (list, required) – List of energy values to fit
y (list, required) – List of data values to fit
startE (float, required) – Start energy to fit
stopE (float, required) – Stop energy to fit
data_no (int, required) – Number of data file to plot and fit

Return type:

None

gaussian(E, f, l, Ect)[source]

Marcus theory

Parameters:

E (list, required) – List of energy values
f (float, required) – Oscillator strength
l (float, required) – Reorganization energy
Ect (float, required) – CT state energy

Returns:

EQE – EQE value

Return type:

float

gaussian_EL(E, f, l, Ect)[source]

Marcus theory for reduced EL data

Parameters:

E (list, required) – List of energy values
f (float, required) – Oscillator strength
l (float, required) – Reorganization energy
Ect (float, required) – CT state energy

Returns:

EL – Reduced EL value

Return type:

float

gaussian_EL_disorder(E, f, l, Ect)[source]

Marcus theory including disorder for reduced EL data

Parameters:

E (list, required) – List of energy values
f (float, required) – Oscillator strength
l (float, required) – Reorganization energy
Ect (float, required) – CT state energy

Returns:

EL – Reduced EL value

Return type:

float

gaussian_EQE(E, f, l, Ect)[source]

Marcus theory for reduced EQE data

Parameters:

E (list, required) – List of energy values
f (float, required) – Oscillator strength
l (float, required) – Reorganization energy
Ect (float, required) – CT state energy

Returns:

EQE – Reduced EQE value

Return type:

float

gaussian_EQE_disorder(E, f, l, Ect)[source]

Marcus theory including disorder for reduced EQE data

Parameters:

E (list, required) – List of energy values
f (float, required) – Oscillator strength
l (float, required) – Reorganization energy
Ect (float, required) – CT state energy

Returns:

EQE – Reduced EQE value

Return type:

float

gaussian_disorder(E, f, l, Ect, sig)[source]

Marcus theory including disorder

Parameters:

E (list, required) – List of energy values
f (float, required) – Oscillator strength
l (float, required) – Reorganization energy
Ect (float, required) – CT state energy
sig (float, required) – Gaussian disorder

Returns:

EQE – EQE value

Return type:

float

gaussian_disorder_double(E, f, l, Ect, sig)[source]

Marcus theory including disorder to separately fit double peaks

Parameters:

E (list, required) – List of energy values
f (float, required) – Oscillator strength
l (float, required) – Reorganization energy
Ect (float, required) – CT state energy
sig (float, required) – Gaussian disorder

Returns:

EQE – EQE value

Return type:

float

gaussian_disorder_double_sim(E, fCT, lCT, ECT, fopt, lopt, Eopt, sig)[source]

Marcus theory including disorder to simultaneously fit double peaks

Parameters:

E (list, required) – List of energy values
fCT (float, required) – CT state oscillator strength
lCT (float, required) – CT state reorganization energy
ECT (float, required) – CT state energy
fopt (float, required) – S1 peak oscillator strength
lopt (float, required) – S1 peak reorganization energy
Eopt (float, required) – S1 peak energy
sig (float, required) – Gaussian disorder

Returns:

EQE – EQE value

Return type:

float

gaussian_double(E, f, l, Ect)[source]

Marcus theory to separately fit double peaks

Parameters:

E (list, required) – List of energy values
f (float, required) – Oscillator strength
l (float, required) – Reorganization energy
Ect (float, required) – CT state energy

Returns:

EQE – EQE value

Return type:

float

gaussian_double_sim(E, fCT, lCT, ECT, fopt, lopt, Eopt)[source]

Marcus theory to simultaneously fit double peaks

Parameters:

E (list, required) – List of energy values
fCT (float, required) – CT state oscillator strength
lCT (float, required) – CT state reorganization energy
ECT (float, required) – CT state energy
fopt (float, required) – S1 peak oscillator strength
lopt (float, required) – S1 peak reorganization energy
Eopt (float, required) – S1 peak energy

Returns:

EQE – EQE value

Return type:

float

heatMap(eqe_df, startStartE, startStopE, stopStartE, stopStopE, filename_Box, label_Box, color_Box, file_no)[source]

Function to generate heatmap for fit values

Parameters:

eqe_df (DataFrame, required) – Dataframe with EQE data
startStartE (float, required) – Start of the start fit energy range
startStopE (float, required) – Start of the stop fit energy range
stopStartE (float, required) – Stop of the start fit energy range
stopStopE (float, required) – Stop of the stop fit energy range
filename_Box (gui object, required) – GUI text box with filename to use for plot labeling
label_Box (gui object, required) – GUI text box with plot label
color_Box (gui object, required) – GUI text box with plot color
file_no (int, required) – Number of EQE file to plot

Return type:

None

load_sim_dict()[source]

Function to load dictionary of fit bounds from GUI paramaters

Parameters:: None –
Return type:: None

plot_EQE(eqe_df, startNM, stopNM, filename_Box, label_Box, color_Box, file_no, number)[source]

Function to plot EQE data

Parameters:

eqe_df (dataFrame, required) – Dataframe with EQE data
startNM (float, required) – Start wavelength [nm]
stop (float, required) – Stop wavelength [nm]
filename_Box (gui object, required) – GUI textbox with filename information for plot labeling
label_Box (gui object, required) – GUI textbox with plot label
color_Box (gui object, required) – GUI textbox with plot color
file_no (int, required) – Number of EQE file/data range to plot
number (int, required) – Number specifying whether to plot wavelength or energy 0 -> Wavelength 1 -> Energy

Return type:

None

plot_fit_EQE(eqe_df, startE, stopE, startFit, stopFit, startPlotFit, stopPlotFit, filename_Box, label_Box, color_Box, file_no)[source]

Function to fit and plot EQE

Parameters:

eqe_df (DataFrame, required) – Dataframe with EQE data
startE (float, required) – Start energy to plot EQE
stopE (float, required) – Stop energy to plot EQE
startFit (float, required) – Start energy to fit
stopFit (float, required) – Stop energy to fit
startPlotFit (float, required) – Start energy to plot fit
stopPlotFit (float, required) – Stop energy to plot fit
filename_Box (gui object, required) – GUI text box with filename to use for plot labeling
label_Box (gui object, required) – GUI text box with plot label
color_Box (gui object, required) – GUI text box with plot color
file_no (int, required) – Number of EQE file to plot

Returns:

True if fit is successful, False otherwise

Return type:

Bool

pre_EQE(ref_df, data_df, start, stop, range_no)[source]

Wrapper function to load variables and data for EQE calculation

Parameters:

ref_df (dataFrame, required) – Dataframe with reference diode measurement
data_df (dataFrame, required) – Dataframe with sample measurement
start (gui object, required) – GUI field with start wavelength
stop (gui object, required) – GUI field with stop wavelength
range_no (int, required) – Number specifying which data range to compile

Return type:

None

pre_fit_EQE(eqe_df, startE, stopE, startFit, stopFit, startPlotFit, stopPlotFit, filename_Box, label_Box, color_Box, file_no)[source]

Wrapper function to fit EQE spectrum

Parameters:

eqe_df (DataFrame, required) – Dataframe with EQE data
startE (float, required) – Start energy to plot EQE
stopE (float, required) – Stop energy to plot EQE
startFit (float, required) – Start energy to fit
stopFit (float, required) – Stop energy to fit
startPlotFit (float, required) – Start energy to plot fit
stopPlotFit (float, required) – Stop energy to plot fit
filename_Box (gui object, required) – GUI text box with filename to use for plot labeling
label_Box (gui object, required) – GUI text box with plot label
color_Box (gui object, required) – GUI text box with plot color
file_no (int, required) – Number of EQE file to plot

Return type:

None

pre_plot_EL_EQE(data_df, startE, stopE, data_no, fit=False)[source]

Wrapper function to plot and fit EQE and EL data

Parameters:

data_df (dataFrame, required) – EQE or EL data
startE (float, required) – Start energy to plot
stopE (float, required) – Stop energy to plot
data_no (int, required) – Number of data file to plot and fit
fit (bool, required) – Boolean value specifying whether to perform fit

Return type:

None

pre_plot_EQE(number)[source]

Wrapper function to select EQE file for plotting

Parameters:: number (int, required) – Number of the EQE file to plot
Return type:: None

sim_double_fit()[source]

Function to perform simultaneous double peak fitting for multiple energy ranges

Parameters:: None –
Return type:: None

sim_double_fit_single()[source]

Function to perform simultaneous double peak fitting for one energy range

Parameters:: None –
Return type:: None

subtract_Fit(data_Fit, data_EQE, label_Fit, label_EQE, color_Fit, color_EQE)[source]

Function to subtract fit from EQE data

Parameters:

data_Fit (dataFrame, required) – Fit data to subtract
data_EQE (dataFrame, required) – EQE data to subtract fit from
label_Fit (gui object, required) – GUI text box with fit plot label
label_EQE (gui object, required) – GUI text box with EQE plot label
color_Fit (gui object, required) – GUI text box with fit plot color
color_EQE (gui object, required) – GUI text box with EQE plot color

Return type:

None

writeText(text_Box, textBox_no)[source]

Function to load data and update text box in GUI

Parameters:

text_Box (gui object, required) – GUI text box to write filename into
textBox_no (int or str, required) – GUI textbox with information on which variable to define

Return type:

None

sEQE_Analysis.main()[source]