23 citations · 23 across the 2 of their papers we have counts for
3 papers
Structural Characterization of an Ionic Liquid in bulk and in nano-confined environment from MD simulations
Natasa Vucemilovic-Alagic, Radha D. Banhatti, Robert Stepic +7
This article contains data on structural characterization of the [C2Mim][NTf2] in bulk and in nano-confined environment obtained using MD simulations. These data supplement those p…
Insights from Molecular Dynamics Simulations on Structural Organization and Diffusive Dynamics of an Ionic Liquid at Solid and Vacuum Interfaces
Natasa Vucemilovic-Alagic, Radha D. Banhatti, Robert Stepic +7
Hypothesis A prototypical modelling approach is required for a full characterisation of the static and equilibrium dynamical properties of confined ionic liquids (ILs), in order to…
Theoretical evidence for unexpected O-rich phases at corners of MgO surfaces
Saswata Bhattacharya, Daniel Berger, Karsten Reuter +2
Realistic oxide materials are often semiconductors, in particular at elevated temperatures, and their surfaces contain undercoordiated atoms at structural defects such as steps and…