Thermal conductivity and mechanical properties of nitrogenated holey graphene

Nitrogenated holey graphene (NHG), a two-dimensional graphene-derived material with a C2N stoichiometry and evenly distributed holes and nitrogen atoms in its basal plane, has recently been synthesized. We performed first principles calculations and molecular dynamics simulations to investigate mech...

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Bibliographic Details

Published in:	Carbon (New York) Vol. 106; pp. 1 - 8
Main Authors:	Mortazavi, Bohayra, Rahaman, Obaidur, Rabczuk, Timon, Pereira, Luiz Felipe C.
Format:	Journal Article
Language:	English
Published:	Elsevier Ltd 01.09.2016
Subjects:	ambient temperature graphene heat modulus of elasticity molecular dynamics nitrogen prediction stoichiometry tensile strength thermal conductivity
ISSN:	0008-6223, 1873-3891
Online Access:	Get full text
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