Εξειδίκευση τύπου :	Άρθρο σε επιστημονικό περιοδικό
Τίτλος:	A proposed nomenclature for graphene pores: a systematic study of their geometrical features and an algorithm for their generation and enumeration
Δημιουργός/Συγγραφέας:	Fthenakis, Zacharias G
Ημερομηνία:	2022
Γλώσσα:	Αγγλικά
ISSN:	00086223
DOI:	10.1016/j.carbon.2022.07.038
Περίληψη:	In the present study we propose a nomenclature scheme for graphene pores based on the arrangement of 2-fold coordinated atoms in the pore boundary. An expansion of that scheme is also proposed, to include pores with functionalized and/or reconstructed edges. The proposed nomenclature provides a unique, unambiguous, uniform and consistent way to name and identify graphene pores. Moreover, using graph theory we systematically study the geometrical features of graphene pores and we present an algorithm for their generation, identification and enumeration. The present nomenclature scheme could be also used for naming graphene flakes and edges and can be expanded to include similar systems.
Τίτλος πηγής δημοσίευσης:	Carbon
Τόμος/Κεφάλαιο:	199
Σελίδες:	508-519
Θεματική Κατηγορία:	[EL] Φυσική και θεωρητική χημεία[EN] Physical and theoretical chemistry
Λέξεις-Κλειδιά:	Graphene pores Nomenclature Algorithm Geometrical features
EU Grant:	MONSTRE-2D PRIN2017 KFMJ8E nanoporous GrAphene membrane made without TransfEr for gas Separation – GATES Competitiveness, Entrepreneurship and Innovation
EU Grant identifier:	MIS 5041612 NSRF 2014–2020
Κάτοχος πνευματικών δικαιωμάτων:	© 2022 Elsevier Ltd. All rights reserved
Ηλεκτρονική διεύθυνση στον εκδότη (link):	https://doi.org/10.1016/j.carbon.2022.07.038
Σημειώσεις:	This document is the results of the research funded by the projects (i) MONSTRE-2D PRIN2017 KFMJ8E of the Italian Ministry of University and Research and (ii) “nanoporous GrAphene membrane made without TransfEr for gas Separation – GATES” (MIS 5041612), 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