Surface Structure of Imidazolium-based Ionic Liquids: Quantitative Comparison between Simulations and High-resolution RBS Measurements.

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F16%3A00461334" target="_blank" >RIV/67985858:_____/16:00461334 - isvavai.cz</a>

Alternative codes found

RIV/44555601:13440/16:43887618

Result on the web

<a href="http://dx.doi.org/10.1063/1.4943887" target="_blank" >http://dx.doi.org/10.1063/1.4943887</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1063/1.4943887" target="_blank" >10.1063/1.4943887</a>

Result language

angličtina

Original language name

Surface Structure of Imidazolium-based Ionic Liquids: Quantitative Comparison between Simulations and High-resolution RBS Measurements.

Original language description

Elemental depth profiles of 1-alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl) imide ([CnMIM][TFSI], n = 4, 6, 8) are measured using high-resolution Rutherford backscattering spectroscopy (HRBS). The profiles are compared with the results of molecular dynamics (MD) simulations. Both MD simulations and HRBS measurements show that the depth profiles deviate from the uniform stoichiometric composition in the surface region, showing preferential orientations of ions at the surface. The MD simulations qualitatively reproduce the observed HRBS profiles but the agreement is not satisfactory. The observed discrepancy is ascribed to the capillary waves. By taking account of the surface roughness induced by the capillary waves, the agreement becomes almost perfect.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CF - Physical chemistry and theoretical chemistry

OECD FORD branch

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Project

<a href="/en/project/GA16-12291S" target="_blank" >GA16-12291S: Hierarchical approach to the study of solid-fluid equilibria in complex system: theory, simulation and experiment</a><br>

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2016

Confidentiality

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

Name of the periodical

Journal of Chemical Physics

ISSN

0021-9606

e-ISSN

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Volume of the periodical

144

Issue of the periodical within the volume

11

Country of publishing house

US - UNITED STATES

Number of pages

6

Pages from-to

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UT code for WoS article

000373384100036

EID of the result in the Scopus database

2-s2.0-84962617123