EChemDID for lithium cobalt oxide (LiCoO2) cathode and a graphite anode

[zahra_maleki]

Dear all,

I want to study the Li-ion battery which has a lithium cobalt oxide (LiCoO2) cathode and a graphite anode, as shown in the attached figure, by molecular dynamics (MD) simulation and EChemDID. I have a few questions. I would be grateful if you could guide me.

Q1: Could I use EChemDID for LiCoO2 and graphite electrodes? Is the EChemDID method developed only for metallic electrodes?

Q2: Is there a Question and Answer (Q/A) group on the internet to ask the problems we face while working with EChemDID (such as problems in installing EChemDID and etc.)?

Thank you in advance for your guidance.

[akohlmey]

@zahra_maleki

Q1: Could I use EChemDID for LiCoO2 and graphite electrodes? Is the EChemDID method developed only for metallic electrodes?

You have to ask the EChemDID author(s) or study its documentation. This is not a package distributed with LAMMPS and the LAMMPS developers have no knowledge about its implementation or its capabilities.

@zahra_maleki

Q2: Is there a Question and Answer (Q/A) group on the internet to ask the problems we face while working with EChemDID (such as problems in installing EChemDID and etc.)?

Same as above, you need to contact the developer of said USER package.

[zahra_maleki]

Dear Dr. Axel Kohlmeyer
Thank you so much for your reply.