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physics.chem-ph2016
Bias-dependent local structure of water molecule at a metallic interface
Luana S. Pedroza, Pedro Brandimarte, Alexandre Reily Rocha +1
Understanding the local structure of water at the interfaces of metallic electrodes is a key problem in aqueous-based electrochemistry. Nevertheless, a realistic simulation of such…
physics.chem-ph2014★ 2 cited
Local order of liquid water at the electrochemical interface
Luana S. Pedroza, Adrien Poissier, M. -V. Fernández-Serra
We study the structure and dynamics of liquid water in contact with Pd and Au (111) surfaces using \emph{ab initio} molecular dynamics simulations with and without van der Waals in…