Related papers: Decoupling Electric Field and Temperature-Driven A…
We use density functional theory based first-principles methods to study the magnetism in a 2D hexagonal BN sheet induced by the different concentrations of oxygen and silicon atoms substituting for nitrogen (O$_\mathrm{N}$) and boron…
We demonstrate creation of electroforming-free TaOx memristive devices using focused ion beam irradiations to locally define conductive filaments in TaOx films. Electrical characterization shows that these irradiations directly create fully…
The effect of thermal annealing on wurtzite ZnO, terminated by two surfaces, (0 0 0 $\bar 1$) (which is oxygen-terminated) and (0 0 0 1) (which is Zn-terminated), is investigated via molecular dynamics simulation using reactive force field…
The formation of well-defined three-dimensional (3D) redox-active molecular nanostructures at the electrode surfaces may open additional routes to achieve higher conductance in molecular junctions (MJs). We report here experimental and…
Memory devices based on resistive switching (RS) have not been fully realised due to lack of understanding of the underlying switching mechanisms. Nature of ion transport responsible for switching and growth of conducting filament in…
High electric fields can significantly alter catalytic environments and the resultant chemical processes. Such fields arise naturally in biological systems but can also be artificially induced through localized excitations at nanoscale.…
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…
Simulations of laser-induced electron dynamics in a molecular system are performed using time-dependent (TD) equation-of-motion (EOM) coupled-cluster (CC) theory. The target system has been chosen to highlight potential shortcomings of…
Metal-oxide-metal devices based on amorphous VOx are shown to exhibit one of two distinct negative differential resistance (NDR) characteristics depending on the maximum current employed for electroforming. For low compliance currents they…
Oxide-based Random Access Memory (OxRAM), is part of the larger family of Resistive RAM (RRAM) memories. Generally OxRAM cells consist of a transition metal oxide (typically HfO2, Ta2O5, TiO2) sandwiched between two metal electrodes…
Defect engineering is a key strategy to control resistive switching (RS) in oxide-based memristive devices, where oxygen vacancy (OV) dynamics governs filament formation and rupture. We investigate the effect of Ag nanoparticles (AgNPs)…
A first-principles atomic orbital-based electronic structure method is used to investigate the low index surfaces of rutile Titanium Dioxide. The method is relatively cheap in computational terms, making it attractive for the study of oxide…
Defects and their interactions in crystalline solids often underpin material properties and functionality as they are decisive for stability, result in enhanced diffusion, and act as a reservoir of vacancies. Recently, lithium-rich layered…
Spinel lithium manganese oxide (LixMn2O4) is used as an active material in battery cathodes. It is a relatively inexpensive and environmentally friendly material, but suffers from capacity fade during use. The capacity losses are generally…
Tantalum diselenide (TaSe$_{2}$) is a metallic transition metal dichalcogenide whose equilibrium structure and vibrational behavior strongly depends on temperature and thickness, including the emergence of charge density wave (CDW) states…
The morphology and dimension of the conductive filament formed in a memristive device are strongly influenced by the thickness of its switching medium layer. Aggressive scaling of this active layer thickness is critical towards reducing the…
Electrocatalysis is greatly influenced by the local reaction environment, which is governed by the structure of the catalyst, the distribution of the electrolyte, and the local electric field. In catalytic systems comprised of complex…
We show how the elusive toroidal dipole moment appears as a radiative excitation eigenmode in a metamolecule resonator that is formed by pairs of plasmonic nanorods. We analyze one such nanorod configuration - a toroidal metamolecule. We…
Ductile metals undergo a considerable amount of plastic deformation before failure. Void nucleation, growth and coalescence is the mechanism of failure in such metals. {\alpha}/{\beta} titanium alloys are ductile in nature and are widely…
Understanding ion-transport under molecular confinement is essential for developing next-generation energy technologies, where ionic motion often occurs within nanoscale or angstrom-scale channels. In this study, we use the model system of…