Onset of alkali adsorption on the vitreous silica surface

Steve Garofalini, David M. Zirl

Research output: Contribution to journalArticle

21 Citations (Scopus)

Abstract

The molecular dynamics computer simulation technique has been used to study the atomic level structure at the vitreous silica surface and the effect that this surface structure has on the early stages of adsorption of K and Li ions. K ions preferentially adsorb at nonbridging oxygen (NBO), often diffusing over the surface prior to finding such sites. After saturation of these NBO's, the K ions attack siloxane bonds. The K ions do not diffuse into the silica substrate, even though there are channels available for such diffusion. Li ions initially adsorb at both the NBO as well as the bridging oxygen at strained siloxane bonds. Also the Li ions readily diffuse into the subsurface regions of the glass.

Original languageEnglish
Pages (from-to)975-981
Number of pages7
JournalJournal of Vacuum Science and Technology A: Vacuum, Surfaces and Films
Volume6
Issue number3
DOIs
Publication statusPublished - 1988

Fingerprint

Alkalies
Fused silica
alkalies
Ions
silicon dioxide
Adsorption
adsorption
Siloxanes
ions
siloxanes
Oxygen
oxygen
Surface structure
Silicon Dioxide
attack
Molecular dynamics
computerized simulation
Silica
molecular dynamics
saturation

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films

Cite this

Onset of alkali adsorption on the vitreous silica surface. / Garofalini, Steve; Zirl, David M.

In: Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films, Vol. 6, No. 3, 1988, p. 975-981.

Research output: Contribution to journalArticle

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