Proceedings of the Symposium on Microscopic Models of Electrode- Electrolyte Interfaces

activation energy adsorbed adsorption angle approximation behavior bisulfate bond bulk calculations charge density Chem cluster computed copper correlation function corresponding Coulomb CuSO4 density functional theory density profile dependence dielectric constant diffusion dimers dipolar dipole discussed dissolution distance double layer electric field electrochemical Electrochemistry electrode potential electrolyte electron transfer electrostatic equation Ewald experimental Figure film fluid free energy frequency hard sphere hard wall harmonic Heinzinger hydration hydrogen hydrous oxide interaction interface iodide Ising J. W. Halley Jahn Teller effect kcal/mol lattice Lett ligand metal electrode metal surface method molecular dynamics monolayer number density obtained oxygen parameters particles peak phase diagram phase transition Phys plane platinum polarization positive qualitative quantum reaction reference region simulation solute molecules solvation shell solvent structure surface coverage symmetry temperature theory urea vertical orientations voltammogram water molecules wave functions zero