RT Dissertation/Thesis
T1 Multiscale simulation of ionic liquid mixtures with inorganic salts and cosolvents of electrochemical and photonic interest in liquid and gel phases (hybrid ionogel)
A1 Rivera-Pousa, Alejandro
K1 ionic liquids
K1 hybrid ionogel
K1 simulation
K1 MD
K1 Density functional theory
AB This thesis contains a comprehensive study of the properties of mixtures of ionic liquids with cosolvents of interest, with the focus on hybrid ionogels. The main objective of this work is to unveil the different relevant interactions that take place in these systems and their effects. For this purpose, computational simulations using molecular dynamics and density functional theory calculations are performed. Reported results analyze how the structure and dynamics of the systems are affected by the presence of interfaces or different computational models. Moreover, the electronic interactions at the electrode-electrolyte interface are considered.
YR 2024
FD 2024
LK https://hdl.handle.net/10347/37788
UL https://hdl.handle.net/10347/37788
LA eng
DS Minerva
RD 24 abr 2026