Ferroelectric surface chemistry: First-principles study of the PbTiO[subscript 3] surface

Ferroelectric surfaces provide a promising method for modifying surface reactions via an external electric field, which can potentially provide an avenue for tunable molecular binding and surface catalysis. Using first-principles density functional theory, we investigate how the properties of the Pb...

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Bibliographic Details
Main Authors: Garrity, Kevin (Author), Kakekhani, Arvin (Author), Ismail-Beigi, Sohrab (Author), Kolpak, Alexie M. (Contributor)
Other Authors: Massachusetts Institute of Technology. Department of Materials Science and Engineering (Contributor), Massachusetts Institute of Technology. Department of Mechanical Engineering (Contributor)
Format: Article
Language:English
Published: American Physical Society, 2014-08-18T14:03:41Z.
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