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Author

Shin, Hyung-Joon
Nanoscale Materials Science Lab (NMSL)
Research Interests
  • Scanning tunneling microscopy, surface science, interface science, nanomaterials

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Activation of Ultrathin Oxide Films for Chemical Reaction by Interface Defects

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Title
Activation of Ultrathin Oxide Films for Chemical Reaction by Interface Defects
Author
Jung, JaehoonShin, Hyung-JoonKim, YousooKawai, Maki
Keywords
Ag(100); Buried interface; Interface defects; Metal substrate; MgO films; Oxide surface; Oxide-metal interface; Periodic density functional theory calculations; Strong enhancement; Ultra-thin; Ultra-thin oxide films; Water dissociation
Issue Date
201104
Publisher
AMER CHEMICAL SOC
Citation
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.133, no.16, pp.6142 - 6145
Abstract
Periodic density functional theory calculations revealed strong enhancement of chemical reactivity by defects located at the oxide-metal interface for water dissociation on ultrathin MgO films deposited on Ag(100) substrate. Accumulation of charge density at the oxide-metal interface due to irregular interface defects influences the chemical reactivity of MgO films by changing the charge distribution at the oxide surface. Our results reveal the importance of buried interface defects in controlling chemical reactions on an ultrathin oxide film supported by a metal substrate.
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DOI
http://dx.doi.org/10.1021/ja200854g
ISSN
0002-7863
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