Thermodynamic Stability and Electronic Properties of Graphene Nanoflakes

Thermodynamic Stability and Electronic Properties of Graphene Nanoflakes

We conducted a large set of ab initio density functional theory computations to model a variety of <i>hammer</i>-terminated graphene nanoflakes—finite counterparts of <i>armchair</i> graphene nanoribbons. We focused on the relationships among the length and width of the nanof...

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Bibliographic Details
Main Authors: Raffaella Soave, Fausto Cargnoni, Mario Italo Trioni
Format: Article
Language:English
Published: MDPI AG 2024-01-01
Series:C
Subjects:
graphene nanoflakes
first-principle calculations
electronic properties
thermodynamic stability
Online Access:https://www.mdpi.com/2311-5629/10/1/5

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