Submit Manuscript  

Article Details


Exciton Size and Natural Transition Orbital Investigation in Varied Graphene Forms: High Level Ab-intio Computations

[ Vol. 8 , Issue. 2 ]

Author(s):

Siddheshwar Chopra*   Pages 229 - 232 ( 4 )

Abstract:


Introduction: A systematic theoretical investigation of exciton sizes, their nature and natural transition orbital analysis has been presented for a number of graphene nanoflakes of varying shapes, sizes and isomeric forms. Interestingly, a variation in exciton sizes has been correlated to the size of the structure. The electron delocalization upon absorption has been presented using the natural transition orbital analysis and it is found to be navigating towards the edges of the structure, as the size increases.

Conclusion: The excitons were found to be Frenkel in nature.

Keywords:

Graphene, DFT/TDDFT, exciton, natural transition orbital, nanoribbans, TPPFT.

Affiliation:

Department of Physics, AIAS, Amity University, Noida

Graphical Abstract:



Read Full-Text article