Single-atom-layer traps in a solid electrolyte for lithium batteries.

Area of Science:

• Materials Science
• Electrochemistry
• Solid-State Chemistry

Background:

• Understanding lithium-ion transport in solid electrolytes is crucial for advanced battery development.
• Current mechanistic studies primarily focus on periodic lattice structures and limited non-periodic features like defects and grain boundaries.

Purpose of the Study:

• To identify and characterize novel non-periodic features influencing ionic transport in solid electrolytes.
• To investigate the impact of these features on the conductivity of lithium-ion solid electrolytes.

Main Methods:

• Atomic-resolution electron microscopy was employed to observe non-periodic features in Li$_{0.33}$La$_{0.56}$TiO$_{3}$.
• Ab initio calculations were performed to analyze the effect of identified features on ionic transport.

Main Results:

• A new type of non-periodic feature, termed single-atom-layer traps (SALT), was discovered.
• SALTs, observed as closed loops in Li$_{0.33}$La$_{0.56}$TiO$_{3}$, were found to be ubiquitous.
• Ab initio calculations revealed that SALTs impede lithium-ion transport, significantly degrading overall conductivity.

Conclusions:

• Single-atom-layer traps (SALT) represent a significant non-periodic feature impacting ionic transport in solid electrolytes.
• The presence of SALTs severely degrades the conductivity of materials like Li$_{0.33}$La$_{0.56}$TiO$_{3}$.
• Further investigation of various non-periodic features is essential for optimizing solid electrolyte performance in batteries.