How to construct a 3D volcano plot of electrostatic catalysis?

Here, we give a tutorial for construction of a 3D volcano plot of steam reforming of methanol (SRM) under external electric fields (EEFs).

This multiscale approach includes 4 steps:

1. Construct the microkinetics of the SRM process under EEFs;
2. Simplify the microkinetics and derive a simplified kinetic model of SRM with scaling relationships.
3. Predict the O and C adsorption energies assisted by deep learning.
4. Polt the 3D volcano plot.

Please see details of each step in the corresponding subfolder.