Atomic Structure of the Lithium–Lithium Oxide Interface from First Principles

Atomic Structure of the Lithium–Lithium Oxide Interface from First Principles

While lithium-ion batteries (LIBs) have been largely commercialized as the rechargeable battery of choice, their liquid electrolyte limits the theoretical energy density of the battery and poses serious safety threats. Solid-state lithium batteries (SSLBs) use a solid electrolyte, which can provide...

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Bibliographic Details
Main Author: Giovanni Orlandi (5883017) (author)
Other Authors: Jun Li (6494) (author), Steven D. Kenny (7125461) (author), Enrique Martinez (2689858) (author)
Published: 2025
Subjects:
Biophysics
Biochemistry
Infectious Diseases
Space Science
Chemical Sciences not elsewhere classified
theoretical energy density
lowest energy interface
comparing interface energies
liquid electrolyte limits
li metal anodes
introducing fcc li
2 </ sub
state lithium batteries
solid electrolyte interphase
ion batteries
solid electrolyte
metallic li
li dendrites
bcc li
short circuits
properties dictated
primary component
paper focuses
oxygen atoms
oxide electrolytes
lithium oxide
lattice strain
largely commercialized
ion flow
high resistance
held back
first principles
energetically favorable
different orientations
better safety
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