A molecular perspective on coordination, screening, and emergent length scales in lithium electrolytes
Fuente:
arXiv
Guardado en:
| Autores principales: | , , , , |
|---|---|
| Formato: | Preprint |
| Publicado: |
2026
|
| Materias: | |
| Acceso en línea: | |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
| _version_ | 1866918494053859328 |
|---|---|
| author | Coste, A. Zunzunegui-Bru, E. van Roekeghem, A. Skarmoutsos, I. Mossa, S. |
| author_facet | Coste, A. Zunzunegui-Bru, E. van Roekeghem, A. Skarmoutsos, I. Mossa, S. |
| contents | Lithium electrolytes are commonly described using separate conceptual frameworks for local coordination chemistry, electrostatic screening, and ionic transport. This separation is effective in dilute conditions but breaks down at higher concentration, where coordination, ion pairing, clustering, and collective dynamics become intrinsically coupled. In this Perspective, we develop a unified multiscale framework that links local coordination motifs, mesoscopic ionic organization, and macroscopic transport within a single physical picture. Through representative examples spanning carbonate liquids, polymer electrolytes, concentrated systems, and confinement, we show that increasing concentration drives a systematic evolution from solvent-dominated Li$^+$ coordination to ion pairing, clustering, and correlated domains. In this regime, screening and transport are not independent phenomena but arise from the same underlying correlated structures. This perspective implies that rational electrolyte design must simultaneously control short-range coordination, mesoscale organization, and collective electrostatic response. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2605_10089 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | A molecular perspective on coordination, screening, and emergent length scales in lithium electrolytes Coste, A. Zunzunegui-Bru, E. van Roekeghem, A. Skarmoutsos, I. Mossa, S. Soft Condensed Matter Materials Science Lithium electrolytes are commonly described using separate conceptual frameworks for local coordination chemistry, electrostatic screening, and ionic transport. This separation is effective in dilute conditions but breaks down at higher concentration, where coordination, ion pairing, clustering, and collective dynamics become intrinsically coupled. In this Perspective, we develop a unified multiscale framework that links local coordination motifs, mesoscopic ionic organization, and macroscopic transport within a single physical picture. Through representative examples spanning carbonate liquids, polymer electrolytes, concentrated systems, and confinement, we show that increasing concentration drives a systematic evolution from solvent-dominated Li$^+$ coordination to ion pairing, clustering, and correlated domains. In this regime, screening and transport are not independent phenomena but arise from the same underlying correlated structures. This perspective implies that rational electrolyte design must simultaneously control short-range coordination, mesoscale organization, and collective electrostatic response. |
| title | A molecular perspective on coordination, screening, and emergent length scales in lithium electrolytes |
| topic | Soft Condensed Matter Materials Science |
| url | https://arxiv.org/abs/2605.10089 |