Reorganization of adsorbed films by coadsorbing species
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Molecular dynamics simulations were used to investigate possible explanations for experimentally observed differences in the growth modification of calcite particles by two organic additives, polyacrylic acid (PAA) and polyaspartic acid (p-ASP). The more r ...
Tuning of effective band gaps at insulator surfaces by adsorbed molecules is of fundamental interest but also technologically relevant for contact charging induced by adsorbed molecules like hydroxybenzoic acids. Our studies by density functional theory of ...
Magnetic impurities in solids cause manifold changes in their macroscopic properties, such as anomalous low temperature resistance due to Kondo screening, reduction of the superconducting transition temperature due to local suppression of the order paramet ...
One possibility for the removal of volatile organic compounds (VOCs) is catalytic oxidation. For the removal of VOCs in low concentration (≲ 3000 ppmv for propane) it is not possible to sustain the required oxidation temperature over the catalyst wit ...
In this thesis, I report state-resolved measurements of the chemisorption probability of CH4 on Pt(111) and Pt(110)-(1×2) for several rovibrationally excited states (2ν3, ν1+ν4, and 2ν2+ν4) in addition to the ground state. Measurements of the state resolve ...
We present a study of the adsorption of single molecules of volatiles, such as water, ethanol, ethyl acetate, pyridine, toluene, and n-octane, on the dry surface of a smectite clay using a series of calculations based on density functional theory. Our clay ...
Using calculations based on density-functional theory, we explore the configurations that water molecules (2,3,4;6) assume on the surface a sodium 2:1 smectite clay with isomorphic substitutions both on octahedral and tetrahedral sheets. The hydrophilicity ...
The objective of this study was to analyze the efficiency of silver(Ag)-doped carbon aerogels for the removal of bromide (Br-) and iodide (I-) from drinking waters. Textural characterization of Ag-doped aerogels showed that an increase in the Ag dose added ...
Surface-state-mediated interactions influence the spatial distribution of adatoms at surfaces. These indirect interactions are the driving force for the creation of superlattices of individual adsorbed atoms when the adatom concentration, the sample temper ...
Despite many years of intensive research there still remain many unresolved questions in powder and ceramic technology. A majority of these issues are linked to interfacial phenomena of atomic scale origin, which makes their experimental investigation very ...