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
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
Journal title :
Synthetic Metals
