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cond-mat.mes-hall2008★ 1 cited
Ab-initio band structure of doped graphene
C. Attaccalite, A. Grüeneis, T. Pichler +1
We present an \emph{ab-initio} study of the graphene quasi-particle band structure as function of the doping in G_0 W_0 approximation. We show that the LDA Fermi velocity is substa…
cond-mat.mes-hall2008
Site-selective conductance of sidewall functionalized carbon nanotubes
Juan Maria Garcia-Lastra, Kristian S. Thygesen, Mikkel Strange +1
We use DFT to study the effect of molecular adsorbates on the conductance of metallic carbon nanotubes. The five molecules considered (NO2, NH2, H, COOH, OH) lead to similar scatte…