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Wadsley-Roth crystal structures are an attractive class of materials for batteries because lithium diffusion is facilitated by the ReO3-like block structure with electron transport enabled by edge-sharing along shear planes. However, clear…
The transport and dispersion of multiple species of charged ions are central to many biological and physical processes, including electrokinetic ion separation. However, most theoretical studies of dispersion in channels have focused on…
An atomistic study of the order-effect occurring in Li$_{x}$CoO$_{2}$ at $x=0.5$ is presented and an explanation for the computationally and experimentally observed dip in the Li diffusivity is proposed. Configurations where a single…
Hydroxide ion transport in anion-exchange membranes fundamentally limits the efficiency of alkaline water electrolysis for green hydrogen production, yet the atomic-scale transport mechanisms remain poorly understood due to the…
As opposed to the conventional, approximate theory of electrical conduction in solids, which is based on energy band, quasi-particle states in infinite lattices, a rigorous theory exists that can be used to explain transport phenomena, in…
The prevailing view that solid-state diffusion is negligible at low temperatures is challenged by rapid sulfur and barium isotope exchange between natural barite crystals and aqueous solutions in laboratory experiments. This assumption…
Ion transport in porous media is present in a wealth of technologies, e.g., energy storage devices such as batteries and supercapacitors, and environmental technologies such as electrochemical carbon capture and capacitive deionization.…
Diffusive transport of particles or, more generally, small objects is a ubiquitous feature of physical and chemical reaction systems. In configurations containing confining walls or constrictions transport is controlled both by the…
A number of basic scientific questions relating to ion conduction in homogeneously disordered solids are discussed. The questions deal with how to define the mobile ion density, what can be learned from electrode effects, what is the ion…
We performed large-scale molecular dynamics simulations based on a machine-learning force field (MLFF) to investigate the Li-ion transport mechanism in cation-disordered Li$_3$TiCl$_6$ cathode at six different temperatures, ranging from…
Fast dynamic processes between electrons in solids and a foreign atom represent a fundamental challenge for describing interactions in many-body systems and are a prerequisite for modelling materials modification. We experimentally…
The heliosphere is predominantly a partially ionized plasma that consists of electrons, ions and significant neutral atoms. Nonlinear interactions amongst these species take place through direct collision or charge exchange processes. These…
Enhancing the ion conduction in solid electrolytes is critically important for the development of high-performance all-solid-state lithium-ion batteries (LIBs). Lithium thiophosphates are among the most promising solid electrolytes, as they…
Real-time dynamics of charge density and lattice displacements is studied during photoinduced ionic-to-neutral phase transitions by using a one-dimensional extended Peierls-Hubbard model with alternating potentials for the one-dimensional…
A coupled system composed of a Newtonian fluid located on a sinusoidally-forced elastic solid is studied analytically and numerically. The focus is on the transient evolution from the beginning of the forced oscillations and on the periodic…
Strongly interacting electrons in clean two-dimensional devices are theorized to exhibit many distinct transport regimes, such as ballistic, hydrodynamic, or diffusive. Realistic samples often lie in crossover regimes between these…
We studied the diffusion coefficient of hot electrons of GaN crystals in moderate electric (1...10 kV/cm) and magnetic (1...4 T) fields. Two configurations, parallel and crossed fields, are analysed. The study was carried out for…
Ab-initio electron - liquid phase xenon fully differential cross-sections for electrons scattering in liquid xenon are developed from a solution of the Dirac-Fock scattering equations, using a recently developed framework [1] which…
Ionic liquid ion sources are a promising technology that can be used for many applications from space propulsion to focused ion beam microetching. Ionic liquid ion sources produce ion beams by extracting single ions and metastable solvated…
Some layered silicates are composed of positive ions, surrounded by layers of ions with opposite sign. Mica muscovite is a particularly interesting material, because there exist fossil and experimental evidence for nonlinear excitations…