Mechanical and electrical properties of functionalized graphene nanoribbon: A study of reactive molecular dynamic simulation and density functional tight-binding theory

Physica B: Condensed Matter

Volumn 459, Issue , 2015, Pages 29-35

  Zaminpayma, Esmaeil ^a   Nayebi, Payman ^b  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

DFTB+; Electrical properties; Functionalized graphene nanoribbon; Mechanical properties; ReaxFF

Indexed keywords

CARRIER MOBILITY; COMPUTER SIMULATION; DYNAMICS; ELASTIC MODULI; ELECTRIC PROPERTIES; ELECTRONIC STRUCTURE; GRAPHENE; MECHANICAL PROPERTIES; MOLECULAR DYNAMICS; NANORIBBONS; STRAIN;

DENSITY FUNCTIONAL TIGHT BINDING METHOD; DFTB; ELECTRICAL RESISTANCES; FUNCTIONALIZED GRAPHENE; INCREASING TEMPERATURES; MECHANICAL AND ELECTRICAL PROPERTIES; REACTIVE MOLECULAR DYNAMICS; REAXFF;

DENSITY FUNCTIONAL THEORY;

EID: 84918827822     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2014.11.015     Document Type: Article

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