Related papers: Ab-initio Molecular Dynamics study of 1-D Superion…
Next-generation lithium-ion batteries with silicon anodes have positive characteristics due to higher energy densities compared to state-of-the-art graphite anodes. However, the large volume expansion of silicon anodes can cause high…
The development of silicon anodes to replace conventional graphite in efforts to increase energy densities of lithium-ion batteries has been largely impeded by poor interfacial stability against liquid electrolytes. Here, stable operation…
Ferroelectrics and ionic conductors are important functional materials, each supporting a plethora of applications in information and energy technology. The underlying physics governing their functional properties is ionic motion, and yet…
The dependence of the superconducting transition temperature T_{c} on nearly hydrostatic pressure has been determined to 67 GPa in an ac susceptibility measurement for a Li sample embedded in helium pressure medium. With increasing…
We report the successful growth of high quality single crystals of LiFeAs with lateral sizes up to 5 x 5 mm2 by the Sn-flux method. Electrical resistivity studies reveal that the superconducting onset temperature is 18.2 K with a transition…
Solid-state electrolyte batteries are expected to replace liquid electrolyte lithium-ion batteries in the near future thanks to their higher theoretical energy density and improved safety. However, their adoption is currently hindered by…
Superconductivity of YBa$_2$Cu$_3$O$_{7-\delta}$ single crystals was investigated in small magnetic fields. In magnetic measurements the superconducting transition for $\textbf{H} \| c$ appears 0.4 K higher than for $\textbf{H} \bot c$. In…
Ensuring solid-state lithium batteries perform well across a wide temperature range is crucial for their practical use. Molecular dynamics (MD) simulations can provide valuable insights into the temperature dependence of the battery…
Li2FeSiO4 is an important alternative cathode for next generation Li-ion batteries due to its high theoretical capacity (330 mA h/g). However, its development has faced significant challenges arising from structural complexity and poor…
Mott metal-insulator transitions possess electronic, magnetic, and structural degrees of freedom promising next generation energy-efficient electronics. We report a previously unknown, hierarchically ordered state during a Mott transition…
We demonstrated X-ray structural analysis of the pressure-induced superconductor, $\beta'$-ET$_2$ICl$_2$ under extremely high-pressure conditions, where ET denotes bis(ethylenedithio)tetrathiafulvalene. This material has been known as the…
We investigated the temperature dependence of the superlattice intensity and thermal diffuse scattering intensity of BaAl2O4, which has a network structure with corner-sharing AlO4 tetrahedra, via synchrotron X-ray diffraction experiments.…
We conduct first-principles simulations of La$_3$Ni$_2$O$_7$, a nickelate in which recent experiments have shown signs of high-temperature superconductivity. Within the hydrostatic pressure range where superconductivity is observed, we find…
We use spatially-resolved transport techniques to investigate the superconducting properties of single crystals La$_{2-x}$Ba$_x$CuO$_4$. We find a new superconducting transition temperature $T_{cs}$ associated with the ab-plane surface…
We studied the electrical transport on $\beta$-Fe$_{4+\delta}$Se$_{5}$ single-crystal nanowires, exhibiting $\sqrt{5}\times\sqrt{5}$ Fe-vacancy order and mixed valence of Fe. We observed a first-order metal-insulator transition of the…
The effects of Co-substitution on Ba(Ni$_{1-x}$Co$_x$)$_2$As$_2$ ($0\leq x\leq 0.251$) single crystals grown out of Pb flux are investigated via transport, magnetic, and thermodynamic measurements. BaNi$_2$As$_2$ exhibits a first order…
We report a detailed magnetotransport study of the highly anisotropic quasi-one-dimensional oxide Li$_{0.9}$Mo$_6$O$_{17}$ whose in-chain electrical resistivity diverges below a temperature $T_{\rm min} \sim$ 25 K. For $T < T_{\rm min}$, a…
In this paper for the first time we report the results of molecular dynamics simulation of electrode/electrolyte interface of Li-O2 cathode under potential close to experimental values in 1M dimethyl sulfoxide (DMSO) solution of LiPF6 salt.…
We investigate the pressure-temperature ($p$-$T$) phase diagram of elemental lithium (Li) up to multiterapascal (TPa) pressures using ab-initio random structure search (AIRSS) and density functional theory (DFT). At zero temperature, beyond…
A phase diagram for a 2D metal with variable carrier density has been derived. It consists of a normal phase, where the order parameter is absent; a so-called ``abnormal normal'' phase where this parameter is also absent but the mean number…