期刊
ELECTROCHIMICA ACTA
卷 45, 期 15-16, 页码 2317-2338出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/S0013-4686(00)00335-2
关键词
double layer; jellium; Monte Carlo simulations; molecular dynamics simulations; integral equations
After a bird's eye view of double-layer models of interfaces between metals and aqueous solutions from their very beginning, recent developments are reviewed. The rule of the metal is examined by considering calculations ibr metal clusters and the jellium model, both in vacuo and in contact with model solutions. Integral equation approaches to the solution side of the interfaces are reviewed and compared with Monte Carlo and molecular dynamics simulations of analogous molecular models. Computer simulations of metal-water interfaces (including Car-Parinello simulations) and of ionic solution metal interfaces are considered. Finally, a field-theoretical approach to the double-layer and the treatment of rough electrodes are briefly reviewed. (C) 2000 Elsevier Science Ltd. All rights reserved.
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