The Zn Deposition Mechanism and Pressure Effects for Aqueous Zn Batteries: A Combined Theoretical and Experimental Study

A new reactive force field based on quantum mechanical data for describing formation of the Zn electrode‐electrolyte interface (EEI) chemistry in aqueous zinc‐ion batteries (ZIBs) is developed. This is the first demonstration in which Reactive Molecular Dynamics (RMD) simulation is used to follow th...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Advanced energy materials 2024-02, Vol.14 (6), p.n/a
Hauptverfasser:	Li, Yuyin, Musgrave, Charles B., Yang, Moon Young, Kim, Minho M., Zhang, Kenan, Tamtaji, Mohsen, Cai, Yuting, Tang, Tsz Wing, Wang, Jun, Yuan, Bin, Goddard, William A., Luo, Zhengtang
Format:	Artikel
Sprache:	eng
Schlagworte:	Adatoms Axial stress Electric double layer Electrochemical analysis electrode‐electrolyte interface Ion transport Molecular dynamics Nucleation pressure effect Pressure effects Quantum mechanics reactive molecular dynamics simulations Zn ions batteries
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!