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Single-atom-layer traps in a solid electrolyte for lithium batteries
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DOI：10.1038/s41467-020-15544-x.png)
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Abstract
En 中文
In order to fully understand the lithium-ion transport mechanism in solid electrolytes for batteries, not only the periodic lattice but also the non-periodic features that disrupt the ideal periodicity must be comprehensively studied. At present only a limited number of non-periodic features such as point defects and grain boundaries are considered in mechanistic studies. Here, we discover an additional type of non-periodic feature that significantly influences ionic transport; this feature is termed a single-atom-layer trap (SALT). In a prototype solid electrolyte Li0.33La0.56TiO3, the single-atom-layer defects that form closed loops, i.e., SALTs, are found ubiquitous by atomic-resolution electron microscopy. According to ab initio calculations, these defect loops prevent large volumes of materials from participating in ionic transport, and thus severely degrade the total conductivity. This discovery points out the urgency of thoroughly investigating different types of non-periodic features, and motivates similar studies for other solid electrolytes. High ionic conductivity in solid electrolytes is dependent on the existence of features that interrupt the periodic nature of host materials. Here, the authors enrich the defect chemistry in a typical Li-ion conductor, reporting atom-thick planar defects that form closed loops and trap mobile species.
Keywords:
INITIO MOLECULAR-DYNAMICS
HIGH IONIC-CONDUCTIVITY
STATE ELECTROLYTES
NEUTRON-DIFFRACTION
GRAIN-BOUNDARIES
DIFFUSION
MECHANISMS
1ST-PRINCIPLES
BETA-LI2TIO3
MICROSCOPY
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