README

This file contains all the raw data presented in "Finite Element Modelling of the Combined Faradaic and Electrostatic Contributions to the Voltammetric Response of Monolayer Redox Films" and has been downloaded from: http://wrap.warwick.ac.uk/167493

Archive Created: 20/07/2022
Archive Last Modified: 06/09/2022

As per the original article the data in this archive is provided under a creative commons CC BY-NC-ND license.

Corresponding Authors:
Henry S. White - white@chemistry.utah.edu
Julie V. Macpherson - julie.macpherson@warwick.ac.uk

The file has been divided into two sections:

1 - Article Text
	FEM Redox SAM modelling Article.docx; the article text resubmitted after adjustments based on reviewers comments.
	FEM Redox SAM modelling SI.docx; the SI text resubmitted after adjustments based on reviewers comments.
	FEM Redox SAM modelling COMSOL model report.pdf; the COMSOL generated model report

2 - Data Deposit
	
	The data output from the COMSOL model is provided in an origin file "1 - Main Article Figures - FEM of the Voltammetric Response of Monolayer Redox Films" which has been split into the following folders for each figure
		Figure 2 - Electrochemically inactive film of varying thickness
		Figure 3 - Redox-active (O+|R) film at slow scan rates
		Figure 4 - Faradaic and non-faradaic current contribution and the interfacial potential
		Figure 5 - Voltammetric response when the surface coverage (Γ_T) of redox groups is varied
		Figure 6 - Total and non-faradaic voltammetric response with finite electron transfer kinetics
		Figure 7 - Scan rate and supporting electrolyte concentration dependence on the voltametric response
		Figure 8 - Voltammetric response and potential distributions high scan rates and finite solution conductivity

	The data output from the COMSOL model is provided in an origin file "2 - Supporting Information Figure - FEM of the Voltammetric Response of Monolayer Redox Films" which has been split into the following folders for each figure
		SI Figure S2 - Example of a piecewise function, E(t), is used to simulate a CV
		SI Figure S4 - Electroinactive monolayer, electrolyte concentration plots for Fig 2 at E = +0.6V
		SI Figure S5 - ϕPET as a function of E for electrochemically inactive films of different thicknesses
		SI Figure S6 - Current contributions in the voltammetric response of a redox-active (O+|R) film
		SI Figure S9 - Voltammetric response for a redox-active (O+|R) film at different supporting electrolyte concentrations
		SI Figure S10 - Potential and electrolyte concentration vs distance from the electrode surface for a redox-active (O+|R) film at E = +0.2 V
		SI Figure S11 -  Simulations for redox-active films with different redox reactions:  O-R2- and O+R-
		SI Figure S12 - Simulations with and without electrostatics where n = 2 changing the E01 and E02 values