Please use this identifier to cite or link to this item: https://hdl.handle.net/20.500.14279/9002
Title: Modelling of Three-Dimensional Nanographene
Authors: Mathioudakis, Christos 
Kelires, Pantelis C. 
metadata.dc.contributor.other: Μαθιουδάκης, Χρίστος
Κελίρης, Παντελής
Major Field of Science: Engineering and Technology
Field Category: Mechanical Engineering
Keywords: 3D graphene;Absorption;Conductivity;Electronic structure;Monte Carlo simulations;Rigidity;Structure;Tight-binding calculations
Issue Date: 1-Dec-2016
Source: Nanoscale Research Letters, 2016, vol. 11, no.1
Volume: 11
Issue: 1
DOI: 10.1186/s11671-016-1354-4
Journal: Nanoscale Research Letters 
Abstract: Monte Carlo simulations and tight-binding calculations shed light on the properties of three-dimensional nanographene, a material composed of interlinked, covalently-bonded nanoplatelet graphene units. By constructing realistic model networks of nanographene, we study its structure, mechanical stability, and optoelectronic properties. We find that the material is nanoporous with high specific surface area, in agreement with experimental reports. Its structure is characterized by randomly oriented and curved nanoplatelet units which retain a high degree of graphene order. The material exhibits good mechanical stability with a formation energy of only ∼0.3 eV/atom compared to two-dimensional graphene. It has high electrical conductivity and optical absorption, with values approaching those of graphene.
URI: https://hdl.handle.net/20.500.14279/9002
ISSN: 1556276X
DOI: 10.1186/s11671-016-1354-4
Rights: © Springer Nature
Type: Article
Affiliation : Cyprus University of Technology 
Publication Type: Peer Reviewed
Appears in Collections:Άρθρα/Articles

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