Adsorption Free Energy of Single Amino Acids at the Rutile (110)/Water Interface Studied by Well-Tempered Metadynamics
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The formation of supramolecular structures is a central issue in bio- and nanotechnology and therein plays an important role for many novel developments such as biocompatible materials for integrating living cells or coating for implantable sensing devices ...
NH3 adsorption and dissociation on gallium-rich GaAs(0 0 1)-4 x 2 surface have been investigated using hybrid density functional theory. NH3 is found to adsorb molecularly onto GaAs(0 0 1)-4 x 2 via formation of a dative bond with an adsorption energy of 2 ...
This paper presents the evaluation of different adsorbents for the improvement of the performances of a gas preconcentrator by targeting the adsorption of a large range of volatiles organics compounds (VOCs) The objectives of this work are to find the adeq ...
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 ...
Adsorption isotherms of carboxylate type superplasticizers with different architectures have been measured on MgO considered as a non-reactive model powder. This system allowed us to study the influence of pH, electrolyte type, concentration and ionic stre ...
Upon submonolayer deposition of Azure A molecules onto reconstructed Au(1 1 1), two-dimensional quasi-rectangular islands are observed by low-temperature scanning tunneling microscopy. Strikingly, the 22 x root 3 reconstruction with alternating hexagonal c ...
In this thesis, interactions between surfaces with adsorbed highly branched polyelectrolytes were studied with the colloidal probe technique. By studying the adsorption behavior of highly branched polyelectrolytes, the lateral distribution of the surface c ...
This study presents a new method, Köhler Theory Analysis (KTA), to infer the molar volume and solubility of organic aerosol constituents. The method is based on measurements of surface tension, chemical composition, and CCN activity coupled with Köhler the ...
Adsorption of charged species at the interface between two immiscible electrolyte solutions (ITIES) is simulated taking into account both the mutual influence between the potential dependent surface excess charge and the potential distribution between the ...
The heterodimer formed by electrostatic association of zinc(II) meso-tetrakis(N-methylpyridyl)porphyrin (ZnTMPyP) and zinc(II) meso-tetrakis(p-sulfonatophenyl)porphyrin (ZnTPPS) exhibits a strong affinity for the interface between water and 1,2-dichloroeth ...