Related papers: Simulation of electrochemical processes during oxy…
Two-dimensional (2D) black phosphorus (i.e., phosphorene) has become a rising star in electronics. Recently, 2D phosphorus oxides with higher stability have been synthesized. In this work, we systematically explore the structures and…
Recent experimental progress in development of on-demand sources of electrons propagating along depleted quantum Hall edge channels has enabled creation and characterization of sufficiently compact single- and two-electron distributions…
The copper metaborate CuB_2O_4(CBO) has been studied within the parametric space of magnetic field (B) and temperature (T), showing a series of distinct phases, including commensurate and incommensurate magnetic orders, as well as magnetic…
We investigate electron acceleration resulting from 3D magnetic reconnection between an emerging, twisted magnetic flux rope and a pre-existing weak, open magnetic field. We first follow the rise of an unstable, twisted flux tube with a…
From lithium-ion batteries to high-temperature superconductors, oxide materials have been widely used in electronic devices. However, demands of future technologies require materials beyond oxides, as anion chemistries distinct from oxygen…
We present the results from an extensive atomistic molecular dynamics simulation study of poly(ethylene oxide) (PEO) doped with various amounts of lithium-bis(trifluoromethane)sulfonimide (LiTFSI) salt under the influence of external…
While classical percolation is well understood, percolation effects in randomly packed or jammed structures are much less explored. Here we investigate both experimentally and theoretically the electrical percolation in a binary composite…
In this letter we report on the synthesis of monolayers of MoS$_2$ via chemical vapor deposition directly on thin films of Al$_2$O$_3$ grown by spatial atomic layer deposition. The synthesized monolayers are characterized by atomic force…
Classical molecular-dynamics simulations have been carried out to investigate densification mechanisms in silicon dioxide thin films deposited on an amorphous silica surface, according to a simplified ion-beam assisted deposition (IBAD)…
The measured capacitance, modulus and strength of carbon nanotube-polyaniline (CNT-PANI) composite electrodes render them promising candidates for structural energy storage devices. Here, CNT-PANI composite electrodes are manufactured with…
By performing density functional theory-based calculations, we investigate how hydrogen atom interacts with the surfaces of monolayer PbI2 and how one and two side hydrogenation modify its structural, electronic, and magnetic properties.…
A better understanding of interfacial mechanisms is needed to improve the performances of electrochemical devices. Yet, simulating an electrode surface at fixed electrolyte composition remains a challenge. Here we apply a finite electric…
The strengths and short-comings of the point-dipole model for polar fluids of spherical molecules are illustrated by considering the physically more relevant case of extended dipoles formed by two opposite charges $\pm q$ separated by a…
Magnetotransport measurements in combination with molecular dynamics (MD) simulations on two-dimensional disordered Lorentz gases in the classical regime are reported. In quantitative agreement between experiment and simulation, the…
Molybdenum Disulfide (MoS$_2$) has been recognized as a potential substitution of Platinum (Pt) for electrochemical hydrogen evolution reaction (HER). However, the broad adoption of MoS$_2$ is hindered by its limited number of active sites…
The current work studies the electrocatalytic performance of NaNbO$_3$ microcubes decorated with WO$_3$ nanoparticles on Printex L6 at varying concentrations (1%, 3%, 5%, and 10% by weight) for H$_2$O$_2$ electrogeneration aiming for future…
A computational model for the simulation of a double band collector-generator experiment is applied to the situation where two electrochemical reactions occur concurrently. It is shown that chronoamperometric measurements can be used to…
Over the past few years, ionic conductors have gained a lot of attention given the possibility to implement them in various applications such as supercapacitors, batteries or fuel cells as well as for resistive memories. Especially, layered…
We investigate the formation and transport of gas bubbles across a model porous catalyst/electrode using lattice Boltzmann simulations. This approach enables us to systematically examine the influence of a wide range of morphologies, flow…
The two-dimensional layered compound PdCoO$_2$ is one of the best oxide conductors, providing an intriguing research arena opened by the long mean free path and the very high mobility of ~51000 cm2/Vs. These properties turn PdCoO$_2$ into a…