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Determining the nature of surface roughness and electrode pore structure on H2 bubble evolution rate and quantity, and bubble trapping under electrolytic conditions is important for quantifying useful gas production during total water…
We determined a full 3D atomic structure of a dumbbell-shaped Pt nanoparticle formed by a coalescence of two nanoclusters using deep learning assisted atomic electron tomography. Formation of double twin boundary was clearly observed at the…
Understanding O2 bubble nucleation and growth during the oxygen evolution reaction (OER) is crucial to comprehend their influences on catalytically active sites in the process. To achieve this goal, mapping the spatial variation of…
Nanostructured electrodes with voids or interconnected pores accommodate large volume changes, shorten ion diffusion pathways, and enhance the structural reversibility of alloying electrodes. While these nanoporous features improve the…
We report a systematic study of thickness-dependent superconductivity and carrier transport properties in exfoliated layered 2H-NbS2. Hall-effect measurements reveal 2H-NbS2 in its normal state to be a p-type metal with hole mobility of 1-3…
Direct numerical simulations are utilised to investigate mass transfer processes at gas-evolving electrodes that experience successive formation and detachment of bubbles. The gas-liquid interface is modeled employing an Immersed Boundary…
Lattices of odd-layered two-dimensional (2D) transition metal dichalcogenides (TMDs) such as WSe2 are non-centrosymmetric, and thus could possess linear piezoelectricity that is attractive for applications such as nanoelectromechanical…
In the framework of four-band envelope-function formalism, developed earlier for spherical semiconductor nanocrystals, we study the electronic structure and optical properties of quantum-confined lead-salt (PbSe and PbS) nanowires (NWs)…
We use molecular dynamics (MD) to simulate an unstable homogeneous mixture of binary fluids (AB), confined in a slit pore of width $D$. The pore walls are assumed to be flat and structureless, and attract one component of the mixture (A)…
We present mesoscopic DPD-simulations of polyelectrolyte electrophoresis in confined nanogeometries, for varying salt concentration and surface slip conditions. Special attention is given to the influence of electroosmotic flow (EOF) on the…
Novel member of polymetalloporphines, namely manganese polymetalloporphine of type I (pMnP-I) obtained by ion exchange from magnesium polyporphine of type I (pMgP-I) is reported for the first time and compared to its cobalt analogue…
Molecular dynamics simulations at a constant electric potential are an essential tool to study electrochemical processes, providing microscopic information on the structural, thermodynamic, and dynamical properties. Despite the numerous…
A novel 3-electrode cell type is introduced to run parametrical studies of H$_2$ evolution in an alkaline electrolyte on porous electrodes. Electrochemical methods combined with a high-speed optical measurement system are applied…
When electrodes are biased above the plasma potential, electrons accelerated through the associated electron sheath can dramatically increase the ionization rate of neutrals near the electrode surface. It has previously been observed that…
A self-consistent-field theory is given for the electronic collective modes of a chain containing a finite number, $N$, of Coulomb-coupled spherical two-dimensional electron gases (S2DE's) arranged with their centers along a straight line,…
Based on the group structure search method of first principles, MnB, MnB2, and MnB6 monolayer two-dimensional systems were designed and their structure, stability, electronic properties, as well as performance as anodes for sodium-ion…
In order to increase the accelerating gradient of Superconducting Radio Frequency (SRF) cavities, Magnesium Diboride (MgB2) opens up hope because of its high transition temperature and potential for low surface resistance in the high RF…
Two-dimensional (2D) materials are suitable hosts for the intercalation of extrinsic guest ions such as Li+, Na+ and K+ as the interlayer coupling is weak. This allows ion intercalation engineering of 2D materials, which may be a key to…
In recent years, constant applied potential molecular dynamics has allowed to study the structure and dynamics of the electrochemical double-layer of a large variety of nanoscale capacitors. Nevertheless it remained impossible to simulate…
Based on first-principles calculations we performed a systematic study of the energetic stability, structural characterization, and electronic properties of the fully oxidized $A_{2}B$, electrenes, with the following combinations, (i)…