Through continuum elasticity we define a simulation protocol addressed to measure by a computational experiment the linear elastic moduli of hydrogenated graphene and we actually compute them by first principles.We argue that hydrogenation generally leads to a much smaller longitudinal extension upon loading than the one calculated for ideal graphene. Nevertheless, the corresponding Young modulus shows minor variations as function of coverage. Furthermore, we provide evidence that hydrogenation only marginally affects the Poisson ratio.

Elastic moduli in graphene vs. hydrogen coverage

COLOMBO, LUCIANO
2012-01-01

Abstract

Through continuum elasticity we define a simulation protocol addressed to measure by a computational experiment the linear elastic moduli of hydrogenated graphene and we actually compute them by first principles.We argue that hydrogenation generally leads to a much smaller longitudinal extension upon loading than the one calculated for ideal graphene. Nevertheless, the corresponding Young modulus shows minor variations as function of coverage. Furthermore, we provide evidence that hydrogenation only marginally affects the Poisson ratio.
2012
978-3-642-20643-6
graphene; elastic moduli; atomistic simulations
File in questo prodotto:
File Dimensione Formato  
GraphITA - Elastic Moduli in Graphene Versus Hydrogen Coverage.pdf

Solo gestori archivio

Tipologia: versione editoriale
Dimensione 325.63 kB
Formato Adobe PDF
325.63 kB Adobe PDF   Visualizza/Apri   Richiedi una copia

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11584/37447
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 0
  • ???jsp.display-item.citation.isi??? ND
social impact