Quartz/Aqueous Electrolyte Solution Interface: Molecular Dynamic Simulation and Interfacial Potential Measurements
| Autor: | Johannes Lützenkirchen, Tajana Preočanin, Zlatko Brkljača, Milan Předota, Danijel Namjesnik |
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| Rok vydání: | 2018 |
| Předmět: |
Aqueous solution
Materials science Oxide 02 engineering and technology Electrolyte 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Streaming current 0104 chemical sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials Molecular dynamics Electrokinetic phenomena chemistry.chemical_compound General Energy chemistry Chemical physics surface potential quarz single crystal electrode molecular dynamic ion adsorption Physical and Theoretical Chemistry 0210 nano-technology Quartz Single crystal |
| Zdroj: | The Journal of Physical Chemistry C. 122:24025-24036 |
| ISSN: | 1932-7455 1932-7447 |
| Popis: | In this complementary experimental and theoretical study, we employ surface and electrokinetic potential measurements and equilibrium molecular dynamics (MD) techniques to study the electrical interfacial layer between aqueous solutions of electrolytes and an oxide solid surface. More specifically, we investigate the behavior of a prototypical model system consisting of the (0001) quartz surface in contact with aqueous solutions of alkali metal salts under different conditions. The inner surface potential and electrokinetic ζ-potential were measured by means of single crystal electrodes and via streaming current measurements, respectively. Calculated ζ- potentials allowed us to benchmark MD simulations against experiments, thereby, on the one hand, verifying the validity of our strategy and, on the other hand, enabling a detailed molecular picture of the investigated phenomena and elucidating the role of both water and ions in the formation of the multilayered quartz/aqueous electrolyte interface. |
| Databáze: | OpenAIRE |
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