Theoretical insights into the structure and reactivity of the aqueous/metal interface
- 30 April 2005
- journal article
- Published by Elsevier BV in Current Opinion in Solid State and Materials Science
- Vol. 9 (1-2), 49-65
- https://doi.org/10.1016/j.cossms.2006.03.007
Abstract
No abstract availableKeywords
This publication has 100 references indexed in Scilit:
- Design of Oxygen Reduction Bimetallic Catalysts: Ab-Initio-Derived Thermodynamic GuidelinesThe Journal of Physical Chemistry B, 2005
- Ab Initio Molecular Dynamics Simulations of the Oxygen Reduction Reaction on a Pt(111) Surface in the Presence of Hydrated Hydronium (H3O)+(H2O)2: Direct or Series Pathway?The Journal of Physical Chemistry B, 2005
- Theoretical Investigation of Hydrated Hydronium Ions on Ag(111)The Journal of Physical Chemistry B, 2001
- The Mechanism of Hydrated Proton Transport in WaterJournal of the American Chemical Society, 2000
- Molecular dynamics, density functional theory of the metal–electrolyte interfaceThe Journal of Chemical Physics, 1995
- Voltage-dependent ordering of water molecules at an electrode–electrolyte interfaceNature, 1994
- Electron density distribution functions and the ASED–MO theoryInternational Journal of Quantum Chemistry, 1994
- Molecular solvent model for an electrical double layer: Reference hypernetted-chain (RHNC) results for solvent structure at a charged surfaceThe Journal of Chemical Physics, 1988
- Generalized mean spherical approximation for a mixture of hard ions and hard dipoles against a charged hard wallThe Journal of Chemical Physics, 1982
- A Monte Carlo study of fluid water in contact with structureless wallsFaraday Symposia of the Chemical Society, 1981