Absolute ground state atomic hydrogen densities were measured, by the utilization of two-photon absorption laser induced fluorescence, in a low-pressure electron cyclotron resonance plasma as function nitrogen admixtures—0 to 5000 ppm. At admixtures 1500 ppm and higher, spectral distribution fluorescence changes from single Gaussian double distribution; this is due separate, nascent contributio...

Abstract First‐principles computations are performed to investigate the catalytic oxidation of CO on a Ti‐decorated Cr 2 TiC O MXene monolayer, through comprehensive analysis charge transfer, electronic density states, and difference interacting systems. By comparing reaction energy barriers, it is found that, rather than traditional Langmuir–Hinshelwood, Eley–Rideal, Mars‐van Krevelen (MvK) me...

To study the role of MgO in reduction N2O circulating fluidized bed boilers, density functional theory was used to evaluate heterogeneous decomposition. The interference SO2 and CO on considered. (100) is a two-step process that includes O transfer surface recovery processes. rate-determining step with barrier energy 1.601 eV, while for Langmuir–Hinshelwood Eley–Rideal mechanisms, energies are ...

In situ broad band sum frequency generation (SFG) spectroscopy was applied to clarify the oxidation mechanism of adsorbed CO on Pt(1 1 1) electrode in alkaline solution comparison with that acidic solution. A single SFG peak due on-top site observed region 1950 – 2150 cm−1. While proceeded a nucleation-growth mode via Langmuir–Hinshelwood (L-H) by reacting OH main 0.1 M HClO4 solution, oxidized...

Isotope exchange in low pressure cold plasmas of H(2)/D(2) mixtures has been investigated by means of mass spectrometric measurements of neutrals and ions, and kinetic model calculations. The measurements, which include also electron temperatures and densities, were performed in a stainless steel hollow cathode reactor for three discharge pressures: 1, 2 and 8 Pa, and for mixture compositions r...

Quasiclassical trajectory studies have been performed for the reaction between an H ~or D! atom incident from the gas phase and a H ~or D! atom adsorbed onto a Cu~111! surface. Results from a density functional calculation of the interaction between H and a Cu~111! surface are used to construct a detailed potential energy surface which contains all six nuclear degrees of freedom. Impacts of the...

The extensive demand for cleaner environment is forcing the chemical industry to use less hazardous materials. In this regard, solid catalysts have lately attracted the attention of scientists and researchers around the world.1–8 By using sufficient amounts of these heterogeneous catalysts, their catalytic activity for ester formation can be equivalent to that of conventional homogeneous cataly...

Aims. We study the formation of water and methanol in the dense cloud conditions to find the dependence of its production rate on the binding energies, reaction mechanisms, temperatures, and grain site number. We wish to find the effective grain surface area available for chemical reaction and the effective recombination timescales as functions of grain and gas parameters. Methods. We used a Mo...