DFT calculations of KI crystals formed within single-walled carbon nanotubes

Density functional theory calculations are used to obtain structures for KI crystals formed within single-walled carbon nanotubes. The predicted structures are compared with experimental specimen exit plane wavefunctions restored from focal series of high-resolution electron microscope images. These...

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Bibliographic Details
Main Authors: Sceats, E, Green, M, Kirkland, A, Green, J
Format: Journal article
Language:English
Published: 2008