Separation of the attractive and repulsive contributions to the adsorbate–adsorbate interactions of polar adsorbates on Si(100)

Lin, Ying-Hsiu; Jeng, Horng‐Tay; Lin, Deng−Sung

doi:10.1016/j.susc.2014.12.002

Cited by 9 publications

(3 citation statements)

References 37 publications

(51 reference statements)

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“…This is a first step in the consideration of the substrate influence on the adsorption processes and the kinetics of adsorbate arrangement on the surface. Anyway, the dipole-dipole interaction is a main input to be used in the problems of surface dipole-lattice structures, which serve as models of adsorbate patterns on various substrates [34,43,[64][65][66][67][68][69][70][71][72].…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Electrostatic charge-charge and dipole-dipole interactions near the surface of a medium with screening non-locality (Review Article)

Gabovich

Войтенко

2016

Low Temperature Physics

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Interaction energy between two point charges, W QQ′ , or two point dipoles, W PP′ , located in a medium with a constant dielectric permittivity near the plane surface of a metallic or semiconducting substrate with the spatial dispersion of its dielectric function has been revisited. The calculations were made on the basis of the Green's function method for layered systems. Long-range lateral asymptotics were found. The non-local character of screening in the substrates was shown to substantially modify the dependences of W QQ′ and W PP′ on the distance between the objects concerned. Thus, the purported conventional electrostatic interactions between adsorbed atoms and molecules (modeled by point charges and point dipoles) should be reconsidered making allowance for the substrate polarization. In particular, this factor may significantly influence the structure of electrostatic dipole lattices arising near the surfaces of solids, as well as the kinetics of charge or dipole motion over the surface.

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Section: Introductionmentioning

confidence: 99%

“…The pairwise interaction considered here can serve as an input in the calculations of possible electric-dipole lattice structures [34,43,66,68,71,72]. Therefore, the whole procedure of such calculations should take into account the substrate-induced distortion of lateral interactions.…”

mentioning

confidence: 99%

Electrostatic charge-charge and dipole-dipole interactions near the surface of a medium with screening non-locality (Review Article)

Gabovich

Войтенко

2016

Low Temperature Physics

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“…The SLMRG model exhibits excellent fitting between the experimental isotherm and theoretical data. This model provides a robust description of the experimental data and accounts for adsorbate-adsorbent interactions, significantly influencing adsorption competition and overall performance [40][41][42]. The SLMRG fitting parameters offer specific physical meanings, contributing to a deeper understanding of Cu 2+ adsorption isotherms that can be utilized to analyze the experimental data of Cu 2+ removal by OWP, OWPSA, and alginate.…”

Section: Adsorption Isotherm Modelsmentioning

confidence: 99%

Comprehensive Investigation of Cu2+ Adsorption from Wastewater Using Olive-Waste-Derived Adsorbents: Experimental and Molecular Insights

Elboughdiri,

Ferkous,

Rouibah

et al. 2024

IJMS

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This study investigates the efficacy of adsorbents from locally sourced olive waste—encompassing olive skins, leaves, and pits, recovered from the initial centrifugation of olives (OWP)—and a composite with sodium alginate (OWPSA) for the removal of Cu2+ ions from synthetic wastewater. Experimental analyses conducted at room temperature, with an initial Cu2+ concentration of 50 mg/L and a solid/liquid ratio of 1 g/L, showed that the removal efficiencies were approximately 79.54% and 94.54% for OWP and OWPSA, respectively, highlighting the positive impact of alginate on adsorption capacity. Utilizing statistical physics isotherm models, particularly the single-layer model coupled to real gas (SLMRG), allowed us to robustly fit the experimental data, providing insights into the adsorption mechanisms. Thermodynamic parameters affirmed the spontaneity and endothermic nature of the processes. Adsorption kinetics were interpreted effectively using the pseudo-second-order (PSO) model. Molecular modeling investigations, including the conductor-like screening model for real solvents (COSMO-RS), density functional theory (DFT), and atom-in-molecule (AIM) analysis, unveiled intricate molecular interactions among the adsorbent components—cellulose, hemicellulose, lignin, and alginate—and the pollutant Cu2+, confirming their physically interactive nature. These findings emphasize the synergistic application of experimental and theoretical approaches, providing a comprehensive understanding of copper adsorption dynamics at the molecular level. This methodology holds promise for unraveling intricate processes across various adsorbent materials in wastewater treatment applications.

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Molecular insights through computational modeling of methylene blue adsorption onto low-cost adsorbents derived from natural materials: A multi-model's approach

Nakhli

Bergaoui

Toumi

et al. 2020

Computers & Chemical Engineering

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Separation of the attractive and repulsive contributions to the adsorbate–adsorbate interactions of polar adsorbates on Si(100)

Cited by 9 publications

References 37 publications

Electrostatic charge-charge and dipole-dipole interactions near the surface of a medium with screening non-locality (Review Article)

Electrostatic charge-charge and dipole-dipole interactions near the surface of a medium with screening non-locality (Review Article)

Comprehensive Investigation of Cu2+ Adsorption from Wastewater Using Olive-Waste-Derived Adsorbents: Experimental and Molecular Insights

Molecular insights through computational modeling of methylene blue adsorption onto low-cost adsorbents derived from natural materials: A multi-model's approach

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