caa a22 4500 463215389 CHVBK 20180405153154.0 cr unu---uuuuu 170326e20070601xx s 000 0 eng 10.1007/s00339-007-3915-y doi (NATIONALLICENCE)springer-10.1007/s00339-007-3915-y The structure of electrodeposits - a computer simulation study [Elektronische Daten] [M. Mariscal, E. Leiva, K. Pötting, W. Schmickler] A new method for the study of the molecular dynamics of electrochemical systems is presented, which explicitly contains the electrode potential. It is based on a combination of ordinary molecular dynamics, stochastic dynamics, and a grand-canonical ensemble. The method is tested for the deposition of silver on Au(111), and is found to represent the potential dependence of this process well. Application to the deposition of nickel on Au(111) reveals extensive surface alloying, while during the deposition of nickel on Pt(111) an atomic exchange between the two metals occurs only at step edges. Springer-Verlag, 2007 Mariscal M. Unidad de Matematica y Fisica, Facultad de Ciencias Quimicas, Universidad Nacional de Cordoba, INFIQC, 5000, Cordoba, Argentina aut Leiva E. Unidad de Matematica y Fisica, Facultad de Ciencias Quimicas, Universidad Nacional de Cordoba, INFIQC, 5000, Cordoba, Argentina aut Pötting K. Department of Theoretical Chemistry, Universität Ulm, 89069, Ulm, Germany aut Schmickler W. Department of Theoretical Chemistry, Universität Ulm, 89069, Ulm, Germany aut Applied Physics A Springer-Verlag 87/3(2007-06-01), 385-389 0947-8396 87:3<385 2007 87 339 https://doi.org/10.1007/s00339-007-3915-y text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s00339-007-3915-y text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Mariscal M. Unidad de Matematica y Fisica, Facultad de Ciencias Quimicas, Universidad Nacional de Cordoba, INFIQC, 5000, Cordoba, Argentina aut NATIONALLICENCE 700 1- Leiva E. Unidad de Matematica y Fisica, Facultad de Ciencias Quimicas, Universidad Nacional de Cordoba, INFIQC, 5000, Cordoba, Argentina aut NATIONALLICENCE 700 1- Pötting K. Department of Theoretical Chemistry, Universität Ulm, 89069, Ulm, Germany aut NATIONALLICENCE 700 1- Schmickler W. Department of Theoretical Chemistry, Universität Ulm, 89069, Ulm, Germany aut NATIONALLICENCE 773 0- Applied Physics A Springer-Verlag 87/3(2007-06-01), 385-389 0947-8396 87:3<385 2007 87 339 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer