Related papers: Atomistic catalyst polarization stemming hydrogen …
Over 90 % of all chemical manufacture uses a solid catalyst. Related work thus responds to major societal demand. This study is of water-gas shift on platinum for hydrogen production. The close-packed Pt(111) surface catalyses this process.…
Favourable band alignment and excellent visible light response are vital for photochemical water splitting. In this work, we have theoretically investigated how ferroelectric polarization and its reversibility in direction can be utilized…
Solid-state electrolytes, by enabling lithium metal anodes, may significantly increase the energy density of current lithium-ion batteries. However, similar to their liquid counterparts, these hard and stiff electrolytes can still be…
In the realm of plasmonic catalytic systems, much attention has been devoted to the plasmon-derived mechanisms, yet the influence of nanoparticles' crystal facets in this type of processes has been sparsely investigated. In this work, we…
In this work, we study the emergence of polarization doping in AlxGa1-xN layers with graded composition from a theoretical viewpoint. We demonstrate that the charge conservation law applies for fixed and mobile charges separately, leading…
The features of delayed desorption from CH4-doped Ar matrices irradiated with an electron beam of subthreshold energy were studied. Radiolysis products were detected by emission spectroscopy. The total desorption yield was monitored by…
A novel diagnostic of cosmic-ray modified shocks by polarimetry of H $\alpha$ emissions is suggested. In a cosmic-ray modified shock, the pressure of cosmic rays is sufficiently high compared to the upstream ram pressure to force the…
Hybrid ionic-electronic conductors have the potential to generate memory effects and neuronal behavior. The functionality of these mixed materials depends on ion motion through thin polarizable channels. Here, we explore different…
Recently, there is growing interest in integrating alkali vapors with nanoscale photonic structures, such as nano-waveguides, resonators and nanoantennas. Nanoscale confinement of electromagnetic fields may introduce a longitudinal electric…
Vacancy formation energetics fundamentally govern the structural integrity and catalytic behavior of metal surfaces. Contrary to conventional coordination-dependent broken-bond models, we identify an anomalous thermodynamic inversion on…
Methane is typically thought to be formed in the solid state on the surface of cold interstellar icy grain mantles via the successive atomic hydrogenation of a carbon atom. In the current work we investigate the potential role of molecular…
The efficiency of nanopore-based polymer sensing devices depends on the fast capture of anionic polyelectrolytes by negatively charged pores. This requires the cancellation of the electrostatic barrier associated with repulsive polymer-pore…
Monophasic MgFe$_2$O$_4$ nanoparticles synthesized by a simple autocombustion method were assessed as magnetically recoverable catalysts for the degradation of methylene blue (MB) in water. The NPs exhibit a crystallite size of $\sim$ 9 nm,…
Using the valley degree of freedom as a carrier of information for storage and processing, valley polarization plays a crucial role. A variety of mechanisms for valley polarization have been proposed, among which the valley-layer coupling…
Breakthrough experiments have newly explored the fascinating physics of dipolar quantum droplets and supersolids. The recent realization of dipolar mixtures opens further intriguing possibilities. We show that under rather general…
Density functional theory based global geometry optimization has been used to demonstrate the crucial influence of the geometry of the catalytic cluster on the energy barriers for the CO oxidation reaction over Pd-based bimetallic…
When polarized light is absorbed by an atom, the excited atomic system carries information about the initial polarization of light. For the light that carries an orbital angular momentum, or the twisted light, the polarization states are…
The H1 photonic crystal cavity supports two degenerate dipole modes of orthogonal linear polarization which could give rise to circularly polarized fields when driven with a $\pi$/$2$ phase difference. However, fabrication errors tend to…
We perform a theoretical study of vacuum polarization corrections to the hyperfine structure in many-electron atoms. Calculations are performed for systems of interest for precision atomic tests of fundamental physics belonging to the…
Complete vacuum polarization calculations incorporating finite nuclear size are presented for hydrogenic ions with principal quantum numbers n=1-5. Lithiumlike, sodiumlike, and copperlike ions are also treated starting with Kohn-Sham…