相关论文: Reduced O diffusion through Be doped Pt electrodes
The effect of oxygen partial pressure during the pre-calcination step (high vacuum, air, nitrogen, and oxygen) on the crystal structure, microstructure, and electrical properties of Na0.5Bi0.465Sr0.02Eu0.005TiO3 oxide-ion-conducting…
We consider the radial transport of test particles due to the ExB drift motion in the guiding center approximation. Using an explicit expression to modify the electrostatic potential, we show that it is possible to construct a transport…
The band structure, optical and defects properties of Ba_{2}TeO are systematically investigated using density functional theory with a view to understanding its potential as an optoelectronic or trans- parent conducting material. Ba_{2}TeO…
The high-temperature performance of liquid $Li_{17}Pb_{83}$, a key fusion reactor material, is governed by its atomic-scale dynamics. Using ab initio molecular dynamics, we discover that lithium diffusion is not free but confined within…
The electronic properties of polycrystalline lead oxide consisting of a network of single-crystalline $\alpha$-PbO platelets and the formation of the native point defects in $\alpha$-PbO crystal lattice are studied using first principles…
Black phosphorous (BP) is one of the most interesting layered materials, bearing promising potential for emerging electronic and optoelectronic device technologies. The crystalline structure of BP displays in-plane anisotropy in addition to…
The structure and chemistry of grain boundaries (GBs) are crucial in determining polycrystalline materials' properties. Faceting and solute segregation to minimize the GB energy is a commonly observed phenomenon. In this paper, a deposition…
We give a geometrically exact treatment of percolation through voids around assemblies of randomly placed impermeable barrier particles, introducing a computationally inexpensive approach to finding critical barrier density thresholds…
Perovskites with fast oxygen ion conduction can enable technologies like solid oxide fuel cells. One component of fast oxygen ion conduction is low oxygen migration barrier. Here we apply ab initio methods on over 40 perovskites to produce…
Recent experimental reports on in-plane proton conduction in reduced graphene oxide (rGO) films open a new way for the design of proton exchange membrane essential in fuel cells and chemical filters. At high humidity condition, water…
BiFeO3 thin films have been grown on Pt/Ti/SiO2/Si substrates with pulsed laser deposition using Au as the top electrode. The resistive switching property of the Au/BiFeO3/Pt stack has been significantly improved by carefully tuning the…
Wadsley-Roth crystal structures are an attractive class of materials for batteries because lithium diffusion is facilitated by the ReO3-like block structure with electron transport enabled by edge-sharing along shear planes. However, clear…
Flexible electronics are attracting attention due to the increasing demand for lightweight, bendable devices that can conform to various surfaces, including human skin. Although indium tin oxide (ITO) is widely used for electrical…
It is believed that grain boundary segregation of light interstitials can serve as possible mechanism of thermal stability in commercially pure nanostructured titanium alloys. In this paper, using first-principles calculations, we show that…
By considering an interfacial layer between the electrode and the $BiFeO_{3}$($BFO$) layer, the polarization and the hysteresis behavior of $BFO$ film are simulated. It is found that the non-ferroelectric interface will increase the…
A comparative first principles pseudopotential study of the adsorption and migration profiles of single Pt and Au atoms on the stoichiometric and reduced TiO2 rutile (110) surfaces is presented. Pt and Au behave similarly with respect to…
Germanium antimony telluride has been the most used and studied phase-change material for electronic memory due to its suitable crystallization temperature, amorphous to crystalline resistance contrast, and stability of the amorphous phase.…
Photoemission orbital tomography (POT) is a powerful tool for investigating the orbitals and electronic band structure of oriented layers of organic molecules. In many cases, POT allows conclusions to be drawn regarding the geometric…
Defect-free graphene is impermeable to gases and liquids but highly permeable to thermal protons. Atomic-scale defects such as vacancies, grain boundaries and Stone-Wales defects are predicted to enhance graphene's proton permeability and…
The silver-p-phenylene (Ag-PPP) interface is investigated using ballistic electron emission microscopy (BEEM). Multiple injection barriers and spatial nonuniformity of carrier injection over nanometer length scales are observed. No unique…