Εξειδίκευση τύπου :	Άρθρο σε επιστημονικό περιοδικό
Τίτλος:	Width Dependent Elastic Properties of Graphene Nanoribbons
Δημιουργός/Συγγραφέας:	Kalosakas, George [EL] Λαθιωτάκης, Νεκτάριος N.[EN] Lathiotakis, Nektarios N. Papagelis, Konstantinos
Εκδότης:	MDPI
Ημερομηνία:	2021-09-03
Γλώσσα:	Αγγλικά
ISSN:	1996-1944
DOI:	10.3390/ma14175042
Άλλο:	34501132
Περίληψη:	The mechanical response of graphene nanoribbons under uniaxial tension, as well as its dependence on the nanoribbon width, is presented by means of numerical simulations. Both armchair and zigzag edged graphene nanoribbons are considered. We discuss results obtained through two different theoretical approaches, viz. density functional methods and molecular dynamics atomistic simulations using empirical force fields especially designed to describe interactions within graphene sheets. Apart from the stress-strain curves, we calculate several elastic parameters, such as the Young's modulus, the third-order elastic modulus, the intrinsic strength, the fracture strain, and the Poisson's ratio versus strain, presenting their variation with the width of the nanoribbon.
Τίτλος πηγής δημοσίευσης:	Materials (Basel, Switzerland)
Τόμος/Κεφάλαιο:	14
Τεύχος:	17
Θεματική Κατηγορία:	[EL] Νανοτεχνολογία[EN] Nanotechnology [EL] Χημική τεχνολογία[EN] Chemical technolgy [EL] Φυσική και θεωρητική χημεία[EN] Physical and theoretical chemistry
Λέξεις-Κλειδιά:	2D materials Mechanical response Numerical simulations Unixial tension
EU Grant identifier:	MIS:5041612 MIS 5002772 NSRF 2014–2020
Κάτοχος πνευματικών δικαιωμάτων:	© 2021 by the authors. Licensee MDPI, Basel, Switzerland
Όροι και προϋποθέσεις δικαιωμάτων:	This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
Ηλεκτρονική διεύθυνση στον εκδότη (link):	https://www.mdpi.com/1996-1944/14/17/5042
Σημειώσεις:	NNL acknowledges support by the projects: (i) “Nanoporous Graphene membrane made without Transfer for gas Separation”, Flag-ERA JTC-PCI2018-093137, (MIS:5041612) and (ii) “National Infrastructure in Nanotechnology, Advanced Materials and Micro-/Nanoelectronics” (MIS 5002772), both funded by the Operational Program “Competitiveness, Entrepreneurship and Innovation” (NSRF 2014–2020), co-financed by Greece and the European Union (European Regional Development Fund).
Εμφανίζεται στις συλλογές:	Ινστιτούτο Θεωρητικής και Φυσικής Χημείας (ΙΘΦΧ) - Επιστημονικό έργο