Related papers: Emergence of Conduction Channels in Lithium Silica…
Solid-state superionic conductors (SSICs) are promising alternatives to liquid electrolytes in batteries and other energy storage technologies. The rational design of SSICs and ultimately their deployment in battery technologies is hindered…
We theoretically investigate the tunneling spectroscopy of a system of two parallel one-dimensional helical conductors in the interacting, Luttinger liquid regime. We calculate the non-linear differential conductance as a function of the…
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…
Predicting and explaining charge carrier transport in halide perovskites is a formidable challenge because of the unusual vibrational and electron-phonon coupling properties of these materials. This study explores charge carrier transport…
We present ab initio calculations of transport properties of atomic-sized aluminum contacts in the presence of oxygen. The experimental situation is modeled by considering a single oxygen atom (O) or one of the molecules O2 and O3 bridging…
The observation of magnetic interaction at the interface between nonmagnetic oxides has attracted much attention in recent years. In this report, we show that the Kondo-like scattering at the SrTiO3-based conducting interface is enhanced by…
Simulating percolation and critical phenomena of labelled species inside films composed of single-component linear homogeneous macromolecules using molecular Monte Carlo method in 3 dimensions, we study dependence of these conducting…
Recently Smit et al. [Nature 419, 906 (2002)] have reported that a single hydrogen molecule can form a bridge between Pt electrodes, which has a conductance close to one quantum unit, carried by a single channel. We present density…
Colloidal particles in a liquid crystal (LC) behave very differently from their counterparts in isotropic fluids. Elastic nature of the orientational order and surface anchoring of the director cause long-range anisotropic interactions and…
Recent advances in experimental and computational techniques have allowed for an accurate description of the adsorption of ionic liquids on metallic electrodes. It is now well established that they adopt a multi-layered structure, and that…
The associations between emergent physical phenomena (e.g., superconductivity) and orbital, charge, and spin degrees of freedom of $3d$ electrons are intriguing in transition metal compounds. Here, we successfully manipulate the…
Based on molecular dynamics simulations of a lithium metasilicate glass we study the potential of bond valence sum calculations to identify sites and diffusion pathways of mobile Li ions in a glassy silicate network. We find that the bond…
To leading order in displacement size, the scattering of electrons in a Cu-O plane from O displacements perpendicular to that plane is due to spin-orbit coupling. This scattering is investigated with the following results: (1) As a…
We derive analytically the spatial correlation functions for gap fluctuations in two-band scenario with intra- and interband pair-transfer interactions. These functions demonstrate the changes in spatial functionality due to the presence of…
Colloidal particles of two types, driven in opposite directions, can segregate into lanes [Vissers et al. Soft Matter 7, 2352 (2011)]. This phenomenon can be reproduced by two-dimensional Brownian dynamics simulations of model particles…
The question of if silica nanoparticles can enhance the ionic conductivity of a polymer electrolyte above its crystallization temperature has remained unclear for the two decades following the first experiments on these systems. We use…
We evaluate the distribution of Hall conductances in magnetic subbands of two-dimensional electron gas with Rashba spin-orbit (SO) coupling placed in a periodic potential and perpendicular magnetic field. In this semiconductor structure the…
We investigate transport effects in in situ studies of defined model catalysts using a multi-scale modeling approach integrating first-principles kinetic Monte Carlo simulations into a fluid dynamical treatment. We specifically address two…
Erosion shapes our landscape and occurs when a sufficient shear stress is exerted by a fluid on a sedimented layer. What controls erosion at a microscopic level remains debated, especially near the threshold forcing where it stops. Here we…
The evolution from superconducting LiTi2O4-delta to insulating Li4Ti5O12 thin films has been studied by precisely adjusting the oxygen pressure during the sample fabrication process. In the superconducting LiTi2O4-delta films, with the…