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

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Ligand Field Effect at Oxiide-Metal Interface on the Chemical Reactivity of Ultrathin Oxide Film Surface

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Title
Ligand Field Effect at Oxiide-Metal Interface on the Chemical Reactivity of Ultrathin Oxide Film Surface
Author
Jung, JaehoonShin, Hyung-JoonKim, YousooKawai, Maki
Keywords
Ag(100); Density functional theory calculations; Heterogeneous catalyst; Ligand field; Metal substrate; MgO films; Oxide-metal interface; Ultra-thin; Ultra-thin oxide films; Water molecule
Issue Date
201206
Publisher
AMER CHEMICAL SOC
Citation
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.134, no.25, pp.10554 - 10561
Abstract
Ultrathin oxide film is currently one of the paramount candidates for a heterogeneous catalyst because it provides an additional dimension, i.e., film thickness, to control chemical reactivity. Here, we demonstrate that the chemical reactivity of ultrathin MgO film grown on Ag(100) substrate for the dissociation of individual water molecules can be systematically controlled by interface dopants over the film thickness. Density functional theory calculations revealed that adhesion at the oxide-metal interface can be addressed by the ligand field effect and is linearly correlated with the chemical reactivity of the oxide film. In addition, our results indicate that the concentration of dopant at the interface can be controlled by tuning the drawing effect of oxide film. Our study provides not only profound insight into chemical reactivity control of ultrathin oxide film supported by a metal substrate but also an impetus for investigating ultrathin oxide films for a wider range of applications.
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DOI
http://dx.doi.org/10.1021/ja302949j
ISSN
0002-7863
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