Article ID Journal Published Year Pages File Type
5384153 Chemical Physics Letters 2011 6 Pages PDF
Abstract
► Metallocenes encapsulation inside the carbon nanotubes. ► Binding energies and charge transfers of the MCp2@(16, 0)SWCNT. ► Optimal distance between FeCp2 and tube-wall, minimal diameter of SWCNT. ► Doping effects near the band gap by encapsulation of CoCp2 and NiCp2.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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