Quartz/Aqueous Electrolyte Solution Interface: Molecular Dynamic Simulation and Interfacial Potential Measurements

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12310%2F18%3A43897677" target="_blank" >RIV/60076658:12310/18:43897677 - isvavai.cz</a>

Result on the web

<a href="https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.8b04035" target="_blank" >https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.8b04035</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.jpcc.8b04035" target="_blank" >10.1021/acs.jpcc.8b04035</a>

Result language

angličtina

Original language name

Quartz/Aqueous Electrolyte Solution Interface: Molecular Dynamic Simulation and Interfacial Potential Measurements

Original language description

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 zeta-potential were measured by means of single crystal electrodes and via streaming current measurements, respectively. Calculated zeta-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.

Czech name

—

Czech description

—

Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

10403 - Physical chemistry

Project

<a href="/en/project/GA17-10734S" target="_blank" >GA17-10734S: Molecular description of phenomena in electrical double layer - prediction and interpretation of experimental data by computer simulations</a><br>

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2018

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Journal of Physical Chemistry C

ISSN

1932-7447

e-ISSN

—

Volume of the periodical

122

Issue of the periodical within the volume

42

Country of publishing house

US - UNITED STATES

Number of pages

12

Pages from-to

24025-24036

UT code for WoS article

000448754300023

EID of the result in the Scopus database

2-s2.0-85055200496