Article ID Journal Published Year Pages File Type
5383295 Chemical Physics Letters 2012 6 Pages PDF
Abstract
► Ultra long B-N atom pair co-doped (5,5) carbon nanotubes were studied with DFT. ► The energy gaps are within 0.240-0.580 eV showing semiconductor conductivity. ► All the tubes are of direct band gaps.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
A density functional theory study on the most stable ultra long B-N co-doped (5,5) single walled carbon nanotubes
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