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Molecular Simulation of Electrode-Solution Interfaces

(2021) Laura Scalfi et al.   Annual Review of Physical Chemistry

Controlling potential difference between electrodes based on self-consistent-charge density functional tight binding

(2021) Jun Oshiki et al.   JOURNAL OF CHEMICAL PHYSICS

Size dependence of hydrophobic hydration at electrified gold/water interfaces

(2021) Alessandra Serva et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Image-charge effects on ion adsorption near aqueous interfaces

(2021) Chang Yun Son et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Ten Facets, One Force Field: The GAL19 Force Field for Water - Noble Metal Interfaces

(2020) Paul Clabaut et al.   Journal of Chemical Theory and Computation

In situ probing electrified interfacial water structures at atomically flat surfaces

(2019) Chao-Yu Li et al.   NATURE MATERIALS

Double Layer of Pt(111)-Aqueous Electrolyte Interface: Potential of Zero Charge and Anomalous Gouy-Chapman Screening

(2019) Kasinath Ojha et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A chemical potential equalization approach to constant potential polarizable electrodes for electrochemical-cell simulations

(2019) Hiroshi Nakano et al.   JOURNAL OF CHEMICAL PHYSICS

Polarization Effects in Dynamic Interfaces of Platinum Electrodes and Ionic Liquid Phases: A Molecular Dynamics Study

(2019) Margherita Buraschi et al.   Journal of Physical Chemistry C

Insight into induced charges at metal surfaces and biointerfaces using a polarizable Lennard–Jones potential

(2018) Isidro Lorenzo Geada et al.   Nature Communications

Evaluation and Optimization of Interface Force Fields for Water on Gold Surfaces

(2017) Andrej Berg et al.   Journal of Chemical Theory and Computation

Efficient storage mechanisms for building better supercapacitors

(2016) M. Salanne et al.   Nature Energy

Voltage equilibration for reactive atomistic simulations of electrochemical processes

(2015) Nicolas Onofrio et al.   JOURNAL OF CHEMICAL PHYSICS

Atomic origin of ultrafast resistance switching in nanoscale electrometallization cells

(2015) Nicolas Onofrio et al.   NATURE MATERIALS

Characterizing heterogeneous dynamics at hydrated electrode surfaces

(2013) Adam P. Willard et al.   JOURNAL OF CHEMICAL PHYSICS

Hydration of metal surfaces can be dynamically heterogeneous and hydrophobic

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Water at an electrochemical interface—a simulation study

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