Naslov
Ionic Liqudis at Interfaces

Autori
Vučemilović-Alagić, Nataša ; Stepić, Robert ; Berger, Daniel ; Wick, Christian ; Harting, Jens ; Smith, David Matthew ; Smith, Ana-Sunčana

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, ostalo, znanstveni

Skup
26th EUCHEM Conference on Molten Salts and Ionic Liquids

Mjesto i datum
Beč, Austrija, 03.07.2016. - 08.07.2016

Vrsta sudjelovanja
Poster

Vrsta recenzije
Podatak o recenziji nije dostupan

Ključne riječi
ionic liquid ; nanoconfinement ; molecular dynamics simulations ; radial distributions ; interface-normal number density

Sažetak
Understanding the molecular-level behavior of ionic liquids (ILs) at IL−solid interfaces is of fundamental importance with respect to their application in, for example, electrochemical systems and electronic devices. We employed atomistic molecular dynamics (MD) simulations to investigate the behavior of the archetypical imidazolium-based IL, namely [C4Mim][NTf2] and [C6Mim][NTf2] ([C2Mim][NTf2] in the previous work)i, at the neutral sapphire interface. Our strategy enables us to compare experimental and theoretically calculated reflectivities in a direct manner, thereby critically assessing the applicability of two force-field variants.

Izvorni jezik
Engleski

Znanstvena područja
Fizika

Napomena
Cluster of Excellence: EAM, Erlangen, Germany

POVEZANOST RADA