Related papers: Ab-initio Molecular Dynamics study of 1-D Superion…
We build a transient multidimensional multiphysical model based on continuum theories, involving the coupled mechanical, thermal and electrochemical phenomena occurring simultaneously in the discharge or charge of lithium-ion batteries. The…
Unlike Li-ion transport in the bulk of carbonaceous materials, little is known about Li-ion diffusion on their surface. In this study, we have discovered an ultra-fast Li-ion transport phenomenon on the surface of carbonaceous materials,…
We have systematically measured resistivity, susceptibility and specific heat under different magnetic fields (H) in Eu$_{1-x}$La$_x$Fe$_2$As$_2$ single crystals. It is found that a metamagnetic transition from A-type antiferromagnetism to…
In a semiclassical view superconductivity is attributed exclusively to the advance of atoms' outer s electrons through the nuclei of neighbor atoms in a solid. The necessary progression of holes in the opposite direction has the electric…
Hyperdoping Si with chalcogens is a topic of great interest due to the strong sub-bandgap absorption exhibited by the resulting material, which can be exploited to develop broadband room-temperature infrared photodetectors using fully…
Experimentally, it is known that lithium undergoes a metal to semiconductor transition at about 80 GPA and a reentrant semiconductor to metal transition near 120 GPA. This unusual behaviour has been attributed to the formation of…
Lithium zirconium chlorides (LZCs) present a promising class of cost-effective solid electrolyte for next-generation all-solid-state batteries. The unique crystal structure of LZCs plays a crucial role in facilitating lithium-ion mobility,…
The Ti$_2$Ni and the related $\eta$-carbide structure are known to exhibit various intriguing physical properties. The Ti$_2$Ni structure with the cubic space group $Fd\bar{3}m$ is surprisingly complex, consisting of a unit cell with 96…
Li$_{10}$Ge(PS$_6$)$_2$ (LGPS) is a highly concentrated solid electrolyte, in which Coulombic repulsion between neighboring cations is hypothesized as the underlying reason for concerted ion hopping, a mechanism common among superionic…
We report the first observation of superconductivity in heterostructure consisting of an insulating ferroelectric film (Ba$_{0.8}$Sr$_{0.2}$TiO$_3$) grown on an insulating parent compound of La$_2$CuO$_4$ with [001] orientation. The…
In this study, we explore lithium-doped stable molecular hydrogen structures by performing first-principles crystal structure searches across varying compositions in the Li-H system under high pressure. Our search reveals a cubic phase of…
Pnictogens and chalcogens are both viable anions for promoting Fe-based superconductivity and intense research activity in the related families has established systematic correlation between the Fe-anion height and the superconducting…
We study a bilayer consisting of an ordinary superconductor and a magnet with a spiral magnetic structure of the {\rm Ho} type. We use a self consistent solution of the Bogolioubov-de Gennes equations to evaluate the pair amplitude, the…
The surface coating of cathodes using insulator films has proven to be a promising method for high-voltage cathode stabilization in Li-ion batteries. However, there is still substantial uncertainty about how these films function,…
The superconducting transition in the layered organic compound \alpha-(BEDT-TTF)_2KHg(SCN)_4 has been studied in the two hydrostatic pressure regimes where a charge-density wave is either present or completely suppressed. Within the…
The realization of green and economically friendly energy storage systems needs materials with outstanding properties. Future batteries based on Na as an abundant element take advantage of non-flammable ceramic electrolytes with very high…
Solid mixed conductors with significant ionic as well as electronic conduction play a pivotal role for mass transfer and storage as required in battery electrodes. Single-phase materials with simultaneously high electronic and ionic…
Located at crystal voids, interstitial anion electrons (IAEs) have diverse topologies, which may be tuned to achieve new properties. Elucidating the role of IAEs in electron-phonon coupling (EPC), and using it to design new electride…
We demonstrated the lattice structures and the superconducting phases of metallic double-chain based cuprate Pr2Ba4Cu7O15-delta exhibiting higher Tc. After the oxygen heat treatment on citrate pyrolysis precursors, their reduction treatment…
Despite growing interest in them, highly crystalline two-dimensional superconductors derived from exfoliated layered materials are few. Employing the anisotropic Migdal-Eliashberg formalism based on {\it ab initio} calculations, we find…