Title of article
Is 2D graphite an ultimate large hydrocarbon?: III. Structure and energy spectra of large polybenzenoid hydrocarbons with different edge structures
Author/Authors
Tyutyulkov، نويسنده , , Nikolay and Müllen، نويسنده , , Klaus and Baumgarten، نويسنده , , Martin and Ivanova، نويسنده , , Anela and Tadjer، نويسنده , , Alia، نويسنده ,
Issue Information
دوماهنامه با شماره پیاپی سال 2003
Pages
9
From page
99
To page
107
Abstract
The structure and energy spectra of very large polybenzenoid alternant hydrocarbons (with up to N∼103 C-atoms) with different edge structures and defects were investigated theoretically. In all the cases, the calculated values of the energy gap width tend
Keywords
Graphite , molecular simulation , Electronic structure , Energy spectra , Defects
Journal title
Synthetic Metals
Serial Year
2003
Journal title
Synthetic Metals
Record number
2079146
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