Molecular dynamics simulation of the influence of external electric fields on the glass transition temperature of the ionic liquid 1-ethyl-3-methylimidazolium bis …

FJ Carmona Esteva, Y Zhang, YJ Colón… - The Journal of …, 2023 - ACS Publications
We present the results of molecular dynamics simulations of the ionic liquid (IL) 1-ethyl-3-
methylimidazolium bis (trifluoromethylsulfonyl) imide [C2C1im][NTf2] in the presence of …

Control of molecular orbital ordering using a van der Waals monolayer ferroelectric

M Amini, OJ Silveira, V Vaňo, JL Lado… - Advanced …, 2023 - Wiley Online Library
Abstract 2D ferroelectric materials provide a promising platform for the electrical control of
quantum states. In particular, due to their 2D nature, they are suitable for influencing the …

Ammonia Adsorption on Crystalline Ice Surface: Adsorption Structure and Site Selectivity

DH Lee, H Kang - The Journal of Physical Chemistry C, 2023 - ACS Publications
The structural heterogeneity of an ice surface at the atomic level is an important
characteristic that influences the interactions between adsorbate molecules and the ice …

Molecular Capacitor Discharge as a Probe of Film Restructuring at Low Temperatures

R Sagi, MS Akerman, C Tamburu… - The Journal of Physical …, 2023 - ACS Publications
Discharge of weakly bound, positive, and negative charges upon annealing of atomic and
molecular layers that form a nanocapacitor is demonstrated as a sensitive detection method …

Quantum dynamics of a polar rotor acted upon by an electric rectangular pulse of variable duration

M Karra, B Schmidt, B Friedrich - Molecular Physics, 2021 - Taylor & Francis
As demonstrated in our previous work [J. Chem. Phys. 149, 174109 (2018)], the kinetic
energy imparted to a quantum rotor by a non-resonant electromagnetic pulse with a …