相关论文: Enhancement of surface activity in CO oxidation on…
Active control of the pump spatial profile is proposed to exercise control over random laser emission. We demonstrate numerically the selection of any desired lasing mode from the emission spectrum. An iterative optimization method is…
Catalytic conversion of CO$_2$ into useful chemicals is an attractive alternative to expensive physical carbon sequestration methods. However, this approach is challenging because current chemical conversion methods employ high temperatures…
Resonantly-forced oscillatory reaction-diffusion systems can exhibit fronts with complicated interfacial structure separating phase-locked homogeneous states. For values of the forcing amplitude below a critical value the front "explodes"…
We present a zinc-blende lattice gas model of II-VI(001) surfaces, which is investigated by means of Kinetic Monte Carlo (KMC) simulations. Anisotropic effective interactions between surface metal atoms allow for the description of, e.g.,…
Laser-induced lift-off of functional surface layers is a key process in micro- and nano-fabrication; however, optimization criteria for maximizing the lifted-off area remain insufficiently defined. In analogy to the well-established theory…
Active optics has attracted considerable interest from researchers in synchrotron radiation facilities, because of its capacity for x-ray wavefront correction. Here, we report a novel and efficient technique for correcting or modulating a…
The structure of the Cu(110) surface is studied at high temperatures using a combination of lattice-gas Monte Carlo and molecular dynamics methods with identical many-atom interactions derived from the effective medium theory. The…
Computing accurate rate constants for catalytic events occurring at the surface of a given material represents a challenging task with multiple potential applications in chemistry. To address this question, we propose an approach based on a…
Plasma treatment increases the surface energy of condensed phases: solids and liquids. Two independent methods of the quantification of the influence imposed by a cold radiofrequency air plasma treatment on the surface properties of…
We investigate by particle-in-cell simulations in two and three dimensions the laser-plasma interaction and the proton acceleration in multilayer targets where a low density "near-critical" layer of a few micron thickness is added on the…
The surface properties of solid-state materials often dictate their functionality, especially for applications where nanoscale effects become important. The relevant surface(s) and their properties are determined, in large part, by the…
Ultra-short high-power lasers can deliver extreme light intensities ($\ge 10^{20}$ W/cm$^2$ and $\leq 30 f$s) and drive large amplitude Surface Plasma Wave (SPW) at over-dense plasma surface. The resulting current of energetic electron has…
A series of First Principles calculations is undertaken to characterize and explain the enhancement of the catalytic activity of oxygen on top of very disordered nanomaterials of Pt. As the adsorption of OH fragment on top of the surfaces…
Subsurface oxygen in oxide-derived copper catalysts significantly influences CO$_2$ activation. However, its effect on the molecular charging process, the key to forming the CO$_2^{\delta-}$ intermediate, remains poorly understood. We…
We report on results of a theoretical study of the adsorption process of a single carbon oxide molecule on a Platinum (111) surface. A four-component relativistic density functional method was applied to account for a proper description of…
In this work, we employ first-principles simulations to investigate the spin polarization of CeO$_2$-(111) surface and its impact on interactions between a ceria support and Pt nanoparticles. For the first time, we report that the…
The diffusion of superoxide radical anions on the surface of TiO2 catalysts is theoretically considered as an important step in the kinetics of photocatalytic oxidation of toxic pollutants. A detailed analysis is performed to discriminate…
Catalysts of carbon monoxide oxidation were synthesized by deposition of platinum on titanium nitride (TiN). Two substrates with an average particle size of 18 and 36 nm were obtained by hydrogen reduction of titanium tetrachloride in a…
Experiments on the hydrogenation of CO on crystalline and amorphous ice at 15 K were carried out to investigate the structural effects of the ice surface. The effective rate of H atom addition to CO on the amorphous ice was found to be…
The kinetics for O2 oxidation of individual graphite and graphene platelet nanoparticles (NPs) were studied as a function of temperature (1200 to 2200 K) at varying oxygen partial pressures, using a single nanoparticle mass spectrometry…