The structure of water at a neutral interface

G. Aloisi*, R. Guidelli, R. A. Jackson, S. M. Clark, P. Barnes

*Corresponding author for this work

Research output: Contribution to journalArticle

28 Citations (Scopus)

Abstract

The Monte Carlo method has been applied to water near a neutral planar surface. Waterwater interactions are described using the TIPS2 potential, and a novel simulation technique for obtaining better equilibrium averages is employed. At 25°C, water molecules adjacent to the surface are found to be oriented preferentially, giving rise to an inward +70 mV potential drop with respect to the wall.

Original languageEnglish
Pages (from-to)131-137
Number of pages7
JournalJournal of Electroanalytical Chemistry
Volume206
Issue number1-2
DOIs
Publication statusPublished - 10 Jul 1986
Externally publishedYes

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