相关论文: Acetonitrile Drastically Boosts Conductivity of Io…
Precise control of the conductivity of semiconductors through doping has enabled the creation of advanced electronic devices, similarly, the ability to control the conductivity in oxides can enable novel advanced electronic and…
In recent years there has been significant progress in the development of artificial ion pumping membranes. Ion pumps based on asymmetric nano-pores have been shown to operate as ionic current rectifiers, thus pumping a net ion flux against…
Doped lithium lanthanum zirconium oxide (LLZO) is a promising class of solid electrolytes for lithium-ion batteries due to their good electrochemical stability and compatibility with Li metal anodes. Ionic diffusivity in these ceramics is…
Correlated anion and cation motion can significantly reduce the overall ion conductivity in electrolytes versus the ideal conductivity calculated based on the diffusion constants alone. Using coarse-grained molecular dynamics simulations,…
Ion hydration and interfacial water play crucial roles in numerous phenomena ranging from biological to industrial systems. Although biologically relevant (and mostly smaller) ions have been studied extensively in this context, very little…
A pressure-induced insulator-to-metal transition (IMT) has recently been discovered in the nodal-line ferrimagnet Mn$_3$Si$_2$Te$_6$. The electronic phase transition is accompanied by anomalies in the magnetic ordering temperature and the…
We argue that the combination of strong repulsive interactions and high magnetic fields can generate electron pairing and superconductivity. Inspired by the large lattice constants of moir\'e materials, which make large flux per unit cell…
The liquid-liquid equilibrium (LLE) curves have been determined for the 2-hydroxyl-benzaldehyde (salicylaldehyde, SAC) + CH$_3$(CH$_2$)$_n$CH$_3$ mixtures ($n$ = 5,6,7,8,9). The equilibrium temperatures were determined observing, by means…
Glass formation and reorientational motions are widespread, but often-neglected features of deep eutectic solvents, although both can be relevant for the technically important ionic conductivity at room temperature. Here we investigate…
In order to control the dimensionality and the topology of the arrangement of magnetic Ru ions, NaCl-type lithium ruthenates have been investigated. Three types of lithium ruthenates, Li$_{3}$RuO$_{4}$, Li$_{2}$RuO$_{3}$, and…
In this study, we examined the thickness of the electrical double layer (EDL) in ionic liquids using density functional theory (DFT) calculations and molecular dynamics (MD) simulations. We focused on the BF4- anion adsorption from…
Neutronic performance is investigated for a potential accident tolerant fuel (ATF),which consists of U$_3$Si$_2$ fuel and FeCrAl cladding. In comparison with current UO$_2$-Zr system, FeCrAl has a better oxidation resistance but a larger…
Oxide heterostructures provide versatile platforms for manipulating electronic and ionic conductive states. In this study, we demonstrate a remarkable billion-fold enhancement in room-temperature ionic conductivity within h-RMnO3/YSZ…
High-concentration aqueous electrolytes have shown promise as candidates for a safer, lower-cost battery system. Ionic conductivity is a key property required in high performing electrolytes; the Advanced Electrolyte Model (AEM) has…
Surface active ionic liquids (SAILs) combine useful characteristics of both ionic liquids (ILs) and surfactants, hence are promising candidates for a wide range of applications. However, the effect of SAIL ionic structures on their…
The electron-transport properties of single-row monoatomic nanowires made of 5$d$ elements are examined by first-principles calculations based on the density functional theory. We found that oscillation patterns with a period longer than…
The Temperature Induced Neutral to Ionic phase Transition (TI-NIT) is a rare phenomenon occurring in mixed stack charge transfer (CT) crystals made up of alternating $\pi$-electron Donor (D) and Acceptor (A) molecules. We were able to grow…
Water clusters embedding a nitric acid molecule HNO3(H2O)_{n=1-10} are investigated via electrostatic deflection of a molecular beam. We observe large paraelectric susceptibilities that greatly exceed the electronic polarizability,…
We achieve, at room temperature, conductance enhancements over two orders of magnitude in single molecule circuits formed with polycyclic benzoquinoidal (BQn) diradicals upon increasing molecular length by ~0.5 nm. We find that this extreme…
We perform molecular dynamics simulations of a typical nanoporous-carbon based supercapacitors. The organic electrolyte consists in 1-ethyl-3-methyl--imidazolium and hexafluorophosphate ions dissolved in acetonitrile. We simulate systems at…