相关论文: Electronic Properties of Lithiated SnO-based Anode…
The cycling performance of lithium-ion batteries is closely related to the expansion effect of anode materials during charge and discharge processes. Studying the mechanical field evolution of anode materials is crucial for evaluating…
Solid ionic conductors are essential components of batteries and fuel cells. In many cases, ionic conduction through crystalline materials with substitutional disorder can be modeled with atomic-scale lattice model percolation simulations.…
We report the ion transport mechanisms in succinonitrile (SN) loaded solid polymer electrolytes containing polyethylene oxide (PEO) and dissolved lithium bis(trifluoromethane)sulphonamide (LiTFSI) salt using molecular dynamics simulations.…
We show that a current-carrying coherent electron conductor can be treated as effective bosonic energy reservoir involving different types of electron-hole pair excitation. For weak electron-boson coupling, hybrid energy transport between…
Motivated by contact resistance on the front side of a crystalline silicon solar cell, we formulate and analyse a two-dimensional mathematical model for electron flow across a poorly conducting (glass) layer situated between silver…
Controlling nanostructure from molecular, crystal lattice to the electrode level remains as arts in practice, where nucleation and growth of the crystals still require more fundamental understanding and precise control to shape the…
Nanostructured Si is the most promising high-capacity anode material to substantially increase the energy density of Li-ion batteries. Among the remaining challenges is its low rate capability as compared to conventional materials. To…
As an anode material for lithium-ion batteries, amorphous silicon offers a significantly higher energy density than the graphite anodes currently used. Alloying reactions of lithium and silicon, however, induce large deformation and lead to…
Hybrid ionic-electronic conductors have the potential to generate memory effects and neuronal behavior. The functionality of these mixed materials depends on ion motion through thin polarizable channels. Here, we explore different…
Herein, we performed ab initio screening to identify the best doping of LiNiO2 to achieve improved cycle performance in lithium ion batteries. The interlayer interaction that dominates the c-axis contraction and overall performance was…
Comparison is made of the electronic structure of the little-studied layered transition metal oxide LiNbO$_2$ with that of Na$_x$CoO$_2$, which has attracted tremendous interest since superconductivity was discovered in its hydrate.…
The practical implementation of lithium-metal anodes has been hindered by uncontrollable dendrite formation and interfacial instability. This study presents a defect-engineering approach of a chemically stable and electrically insulating…
It is widely believed that the origin of a significant cause for the voltage and capacity fading observed in lithium (Li)-ion batteries is related to structural modifications occurring in the cathode material during the Li-ion…
The existence of conduction channels in lithium silicate (Li_2O)(SiO_2) is investigated. Regions of the system where many different ions pass by form channels and are thus spatially correlated. For a closer analysis the properties of the…
An atomistic study of the thermal properties of lithiated molybdenum disulfide (MoS2) is presented and an explanation for the experimentally determined anisotropic behavior of the in- and through-plane thermal conductivity is proposed.…
We investigate transport through a tunnelling junction between an uncorrelated metallic lead and a Luttinger liquid when the latter is subjected to a time dependent perturbation. The tunnelling current as well as the electron energy…
Spin crossover (SCO) complexes are highly promising candidates for a myriad of potential applications in room-temperature electronics; however, as it stands, establishing a clear connection between their spin-state switching and transport…
Modern two dimensional conductors with low defect densities and strong electron-electron scattering are favorable platforms for formation of a viscous fluid of conduction electrons. Electric properties of these systems are determined by the…
Li$_2$Sr[MnN]$_2$ single crystals were successfully grown out of Li rich flux. The crystal structure was determined by single crystal X-ray diffraction and revealed almost linear $-$N$-$Mn$-$N$-$Mn$-$ chains as central structural motif.…
We present a transparent conducting electrode composed of a periodic two-dimensional network of silver nanowires. Networks of Ag nanowires are made with wire diameters of 45-110 nm and pitch of 500, 700 and 1000 nm. Anomalous optical…