The first-principles calculations of the electronic structure of the surfaces of pure metals and layers adsorbed on their surfaces

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The achievements of electron theory in investigation of the electronic and atomic properties of metal surfaces are reviewed for simple metals. The local density functional approach is used to describe the electron-electron interaction. The results of first-principles calculations of true surface and resonance surface states, charge density distributions, work function, surface layer geometry and surface phonon frequencies are given. The influence of adsorbed layers on the surface electronic characteristics is investigated. The prospects of this method for studying metal surfaces in electric fields as well as for studying the metal-electrolyte interface are outlined.

Original languageEnglish
Pages (from-to)19-27
Number of pages9
JournalElectrochimica Acta
Issue number1
Publication statusPublished - 1989
Externally publishedYes


ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Analytical Chemistry
  • Electrochemistry

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