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Ionic Crystal Structures

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Ultrafast Na Transport into Crystalline Sn via Dislocation-Pipe Diffusion.

Jae-Hwan Kim¹, Young-Hwan Lee¹, Jun-Hyoung Park¹

¹Department of Materials Science and Engineering, Korea University, Seoul, 02841, South Korea.

Small (Weinheim an Der Bergstrasse, Germany)

|November 21, 2021

Summary

In sodium-tin (Na-Sn) batteries, dislocations relieve stress during charging, enabling fast sodium ion diffusion through "dislocation-pipe diffusion" for improved battery performance.

Keywords:

dislocation-pipe diffusion fast charging anode first-principles calculations molecular dynamics simulations residual stress

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Area of Science:

Materials Science
Electrochemistry
Solid-State Physics

Background:

Secondary battery anodes experience volume expansion during charging, creating stresses that hinder fast-charging capabilities.
Alloying anodes, common in fast-charging batteries, suffer reduced performance due to stress-induced degradation.

Purpose of the Study:

To investigate the mechanism of stress relief and ion diffusion in the sodium-tin (Na-Sn) battery system.
To elucidate the role of dislocations in facilitating ultrafast sodium diffusion in crystalline tin anodes.

Main Methods:

Direct-contact diffusion experiments to observe sodium transport in tin.
Advanced structural analysis to monitor interface evolution and residual stress.
Multi-scale simulations combining molecular dynamics and first-principles calculations.

Main Results:

Residual stresses in Na-Sn systems are relieved by generating high-density dislocations in crystalline tin.
Dislocations promote preferential sodium transport via "dislocation-pipe diffusion", enabling ultrafast diffusion rates.
Observed ultrafast diffusion rates are explained by the structural origins of dislocation-facilitated transport.

Conclusions:

Dislocation-pipe diffusion is a key mechanism for ultrafast ion transport in secondary battery anodes.
Understanding stress-dislocation-diffusion relationships guides the selection of advanced anode materials for fast-charging batteries.
This study provides insights into optimizing battery anode materials for high-rate performance.