Introduction to Adsorbate Coverage

Quasi-two-dimensional nanocluster-like steady states at a low adsorbate coverage are analytically determined for Pt, Ni, and Pb adsorbates, pointing that nanoclusters self-assemble at the Moiré cells centers.

This study demonstrates the existence of a novel non-monotonic behavior of the magnetic anisotropy as a function of adsorbate coverage.

Establishing correlations between catalytic activity and dynamic surface properties of real catalysts, such as adsorbate coverage, is not straight-forward but crucial for the understanding of catalytic phenomena.

The predicted surface structures and adsorbate coverages are confirmed by operando X-ray absorption spectra (XAS).

As it would also be beneficial to use cheaper secondary metals, we have scanned over a large subset of 3d-5d mid-to-late transition metal single atoms and computationally determined their effect on the oxygen and hydrogen adlayer binding as a function of chemical potential and adsorbate coverage.

Illumination also increases the adsorbate coverage above its dark potential-dependent equilibrium, as derived from a two-laser in situ SERS approach.

, argon) on the surface by not considering the effect of Knudsen diffusion, and suggest that thermal desorption of adsorbates should be modeled as a second-or-higher-order process with respect to adsorbate coverage.

However, most atomistic, quantum-mechanical models of gas-surface adsorption are limited to low adsorbate coverage due to the large computational cost of models built using many surface atoms and adsorbates.

Based on these results, we could also relate the oxygen pressure with the adsorbate coverage and the fluctuating intergranular barrier.

Heterogeneous catalytic reactions are influenced by a subtle interplay of atomic-scale factors, ranging from the catalysts’ local morphology to the presence of high adsorbate coverages.

Band bendings and adsorbate coverages for different oxygen pressures were derived resorting to the electroneutrality condition, including changes in the concentration of oxygen vacancies within the grains due to the exposure to different oxygen pressure.

Activity for the hydrogen ( H 2 ) evolution reaction decreased with increasing P CO 2 at slightly different rates in the dark and the light at each applied potential, making it unclear if light is influencing CO or H 2 intermediate adsorbate coverage.

However, while these relationships are valid for low adsorbate coverages, at higher, catalytically relevant coverages, deviations from linearity are common, thus presenting a materials gap in volcano analyses.

In total, this suggests that the segregation is kinetically relatively facile during temperature cycling, and that adsorbate coverage is the main controlling factor for the surface termination.

The binding energies of adsorbates at catalytic surfaces are in general functions of adsorbate coverage, with corresponding consequences for equilibrium surface coverages and reaction rates at relevant conditions.

Decomposition of tartaric acid (TA, HO2CCH(OH)CH(OH)CO2H) and aspartic acid (Asp, HO2CCH(NH2)CH2CO2H) on Cu surfaces occurs via a vacancy-mediated surface explosion mechanism with nonlinear kinetics: re = keθ(1 – θ)2, where θ is the adsorbate coverage, and (1 – θ) is the vacancy coverage.

While these reaction pathways are supported by density functional theory (DFT) calculations, computational models often considered surfaces at rather low adsorbate coverage.

Using a level-set curvature enhanced adsorbate coverage model, we simulate the electroplating of vias of various sizes and aspect ratio by varying the overpotential and the initial copper concentration.

It involves adsorbate coverage, interparticle distance or agglomeration, surface charge density and solvent refractive index (μ).

The adsorption followed pseudo second order kinetics and Langmuir isotherm models suggesting that the adsorption process was chemisorption with monolayer adsorbate coverage.

The model was used to predict the variations in reaction rates and adsorbate coverages by changing the formic acid pressure in the gas phase at constant temperature.

We determined band bendings and adsorbate coverages for different gas pressure and doping for a typical metal-oxide used in gas sensing.