SEI Builder¶
SEI stand for: “Solid Electrolyte Interface”.
A solid electrolyte interphase (SEI) is generated on the anode of lithium-ion batteries during the first few charging cycles. The SEI provides a passivation layer on the anode surface, which inhibits further electrolyte decomposition and affords the long calendar life required for many applications. However, the SEI remains poorly understood.
—Heiskanen et al.[1]
This app is an ASE-base workflow used to reproduce a rational initial SEI morphology at the atomic scale by stochastically placing the crystal grains of the inorganic salts formed during the SEI’s reaction.
This workflow is part of the European project Battery Interface Genome - Materials Acceleration Platform (BIG-MAP). And it is a portion of a more wide workflow to analyze the formation and growth of the Solid Electrolyte Interface (SEI) at the atomistic level by using several atomistic simulations (Fig. 1).
Fig. 1 Research framework overview.¶
How to cite¶
If you use the SEI Builder for your work, please cite this repository:
BibTex entry for the Github repository:
@misc{MPInterface,
title = {SEI Builder - Jupyter notebooks to build inital SEI morphology.},
author = {De Angelis, Paolo and Cappabianca, Roberta and Asinari, Pietro and Chiavazzo, Eliodoro},
year = 2022,
publisher = {GitHub},
journal = {GitHub repository},
howpublished = {\url{https://github.com/paolodeangelis/SEI_builder}},
url = {https://github.com/paolodeangelis/SEI_builder},
doi = {10.5281/zenodo.6470785}
}
RIS entry for the Github repository:
TY - COMP
AU - De Angelis, Paolo
AU - Cappabianca, Roberta
AU - Asinari, Pietro
AU - Chiavazzo, Eliodoro
DA - 2022///
DO - 10.5281/zenodo.6470785
ID - MPInterface
LB - MPInterface
PB - GitHub
TI - SEI Builder - Jupyter notebooks to build inital SEI morphology.
UR - https://github.com/paolodeangelis/SEI_builder
ER -
Getting Started
API Documentation