From ff5009b07f1f3d3bcac71b5cd7810b7fce9053e9 Mon Sep 17 00:00:00 2001 From: "d.emmel" Date: Mon, 14 Aug 2023 13:27:59 +0200 Subject: [PATCH] Readme update --- README.md | 13 +++++++++++-- 1 file changed, 11 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index 535ded2..a15bc07 100644 --- a/README.md +++ b/README.md @@ -33,8 +33,17 @@ This project is setup as Maven project. All dependencies are setup by the provid **Documentation** This tool is part of a publication currently undergoing submission process. - - +___ + + +Adding Active Materials to Database - The following parameters need to be known for proper calculation: +- Mechanism of electrochemical reaction (number of transfered electrons | number of transfered protons at defined pH value) +- Solubility +- Redox potential +- Diffusion coefficient +- Reaction rate constant + charge transfer coefficient +- Capacity fade rate / capacity retention +- In case of organic solvents: Density, dyn./kin. viscosity as well as electrochemical stability window of selected solvent