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Stability analysis of graphene nanoribbons by molecular dynamics simulations
Author(s) -
Dugan N.,
Erkoç S¸.
Publication year - 2008
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200743461
Subject(s) - zigzag , graphene nanoribbons , molecular dynamics , graphene , materials science , work (physics) , stability (learning theory) , hexagonal crystal system , carbon fibers , nanotechnology , condensed matter physics , chemical physics , computational chemistry , physics , chemistry , crystallography , thermodynamics , geometry , mathematics , composite material , machine learning , composite number , computer science
In this work, stability of graphene nanoribbons are investigated using molecular dynamics. Simulations include heating armchair and zigzag‐edged nanoribbons of widths varying between one and nine hexagonal rings until the bonds between carbon atoms start to break. Breaking temperatures and binding energies per atom for different widths are presented for both armchair and zigzag‐edged cases. A nontrivial relation between stability and width is observed and discussed. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)