Development of a Mg/O ReaxFF Potential to describe the Passivation Processes in Magnesium‐Ion Batteries

One of the key challenges preventing the breakthrough of magnesium‐ion batteries (MIB) is the formation of a passivating boundary layer at the Mg anode. To describe the initial steps of Mg anode degradation by O(2) impurities, a Mg/O ReaxFF (force field for reactive systems) parameter set was develo...

Descripción completa

Detalles Bibliográficos
Autores principales: Fiesinger, Florian, Gaissmaier, Daniel, van den Borg, Matthias, Beßner, Julian, van Duin, Adri C. T., Jacob, Timo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2023
Materias:
Research Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10107363/
https://www.ncbi.nlm.nih.gov/pubmed/36345708
http://dx.doi.org/10.1002/cssc.202201821

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10107363/
https://www.ncbi.nlm.nih.gov/pubmed/36345708
http://dx.doi.org/10.1002/cssc.202201821

Ejemplares similares