… This section presents a unified overview of the wide range of continuum solvation models
applied to electrochemistry, discussing the physics they capture, strategies and inputs for …

… systems when treated with DFT and implicit solvation. First, we analyze which parts of an
electrochemical system are captured by implicit solvation models and test the accuracy of the …

… of solution electrochemistry and interface electrochemistry in … to electrify the interfaces in
various multiscale models. This … different solvation models for solution electrochemistry, and …

… All of these PCM limitations stress out that alternative strategies are required to improve the
accuracy and reliability of electrochemical interfaces solvation in quantum-based calculations…

… -level behavior of electrochemical interfaces uncovered by the former … -layer phenomena,
such as solvation, that are difficult or even … in detail at model electrochemical interfaces in UHV. …

… This model is then applied to the Li/electrolyte interface in … + chemical bond in the first
solvation shell and allows recovery of … redox active center involves the first solvation shell of Li + , …

… Our reparameterization of both the linear and nonlinear solvation models provide better
options for electrochemical calculations in which the charge of the surface might be important. …

… Originating in molecular chemistry with finite solutes, implicit solvation techniques are
now increasingly used in the context of first-principles modeling of electrochemistry and …

… The altered solvation, dielectric and dynamical properties of water molecules close to …
electrochemical observations we need a realistic representation of the electrochemical interface …

… in mind that a stable interfacial model (ie, good dynamic and electrochemical stability of Li +
–… and the (de)solvation process at the cathode and anode interface simultaneously. Besides, …