Polarons are formed in polar or ionic solids, either molecular or crystalline, due to local
distortions of the lattice induced by charge carriers. Polaron hopping is the primary …

Three different time-dependent lumped battery models are presented, using a limited set of
only either three or four fitting parameters. The models all include one linear (resistive), one …

Lithium metal solid-state batteries (LiSSBs) present new challenges in the measurement of
material, component, and cell mechanical behaviors and in the measurement and theory of …

Vanadium oxides have been extensively studied as phase-change memory units in artificial
synapses for neuromorphic computing due to their metal-insulator transitions (MIT) at or …

The demand for higher specific capacity and rate capability has led to the adoption of
nanostructured electrodes for lithium-ion batteries. At these length scales, surface effects …

The (Li, Al)-codoped magnesium spinel (Li x Mg 1− 2 x Al 2+ x O 4) is a solid lithium-ion
electrolyte with potential use in all-solid-state lithium-ion batteries. The spinel structure …

Here, we studied the possibility of applying the elastic dipole method (EDM) to predict the
response of defect formation and migration energy to an external strain field (ϵ ij) in Al …

We conduct an exhaustive investigation on the dependence of polaron migrations barriers
on the fraction of Fock exchange, α, in hybrid functionals. We analyze different the …

The influence of elastic strain on the lithium vacancy formation and migration in bulk LiCoO
2 is evaluated by means of first-principles calculations within density functional theory (DFT) …

In this study, we employ data-driven and first-principles methods (machine learning, density-
functional theory and language model) to comprehensively explore crystal structures …