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Laser-structuring techniques like Direct Laser Interference Patterning show great potential for optimizing electrodes for water electrolysis. Therefore, a systematic experimental study based on statistical design of experiments is performed…
The current study illustrates the successful synthesis of Ce$_{1.0}$Mn$_{0.9}$Co$_{0.1}$ nanoparticles, characterized through XRD, EPR, magnetization curves, and TEM/HRTEM/EDX analyses. These nanoparticles were then loaded into the carbon…
The structure of cylindrical double layers is studied using a modified Poisson Boltzmann theory and the density functional approach. In the model double layer, the electrode is a cylindrical polyion that is infinitely long, impenetrable,…
Two-dimensional (2D) molybdenum disulfide (MoS2) nanosheets have attracted attention as a promising and cost-effective alternative catalyst for the hydrogen evolution reaction (HER). However, their aggregation and poor conductivity limit…
The 17O and 207Pb NMR spectra were measured in ceramic samples in the metallic phase of BaPb_{1-x}Bi_{x}O_3 oxides (0<x< 0.33). The inhomogeneous magnetic broadening which appears due to a distribution of the Knight shifts was analyzed in…
High-throughput ab-initio calculations, cluster expansion techniques and thermodynamic modeling have been synergistically combined to characterize the binodal and the spinodal decompositions features in the pseudo-binary lead chalcogenides…
Semiconducting 2D materials, such as transition metal dichalcogenides (TMDs), are emerging in nanomechanics, optoelectronics, and thermal transport. In each of these fields, perfect control over 2D material properties including strain,…
Two-dimensional (2D) electronic materials are of significant technological interest due to their exceptional properties and broad applicability in engineering. The transition from nanoscale physics, that dictates their stable…
The Pd, and Pt based ABO2 delafossites are a unique class of layered, triangular oxides with 2D electronic structure and a large conductivity that rivals the noble metals. Here, we report successful growth of the metallic delafossite PdCoO2…
We have performed first principles total energy calculations to investigate the structural and reactivity parameters of novel N12X12H12 (X=B, Al, Ga, In, TI) nitrides, in their coronene-like (C24H12) structure to simulate these sheets. The…
This paper introduces a new approach for simulating magnetic properties of nanocomposites comprising magnetic particles embedded in a non-magnetic matrix, taking into account the 3D structure of the system in which particles' positions…
The rapid expansion in the spectrum of two-dimensional (2D) materials has driven the efforts of research on the fabrication of 2D composites and heterostructures. Highly ordered structure of 2D materials provides an excellent platform for…
PbPdO$_2$, a ternary compound containing the lone-pair active ion Pb$^{2+}$ and the square-planar d$^8$ Pd$^{2+}$ ion, has attracted recent interest because of the suggestion that its electronic structure, calculated within density…
Simultaneous $\chi^{2}$ analyses are performed for elastic scattering and fusion cross section data for the $^{12}$C+$^{208}$Pb system at near-Coulomb-barrier energies by using the extended optical model approach in which the polarization…
When the electron density of highly crystalline thin films is tuned by chemical doping or ionic liq- uid gating, interesting effects appear including unconventional superconductivity, sizeable spin-orbit coupling, competition with…
Metal anodes provide the highest energy density in batteries. However, they still suffer from electrode/electrolyte interface side reactions and dendrite growth, especially under fast-charging conditions. In this paper, we consider a…
Sodium-ion batteries have gained much interest over the past years and especially layered oxides are highly considered as cathodes for the next generation of batteries. However, there are still significant challenges to overcome in these…
We investigate electrode geometries required to produce periodic 2-dimensional ion-trap arrays with the ions placed between two planes of electrodes. We present a generalization of previous methods for traps containing a single electrode…
Electronic structures and optical excitations in Moebius conjugated polymers are studied theoretically. Periodic and Moebius boundary conditions are applied to the tight binding model of poly(para-phenylene), taking into account of the…
Molecular Dynamics simulations of a coarse-grained bead-spring model of flexible macromolecules tethered with one end to the surface of a cylindrical pore are presented. Chain length $N$ and grafting density $\sigma$ are varied over a wide…