149 citations · 256 across the 2 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2009★ 107 cited
Spin Channels in Functionalized Graphene Nanoribbons
Giovanni Cantele, Young-Su Lee, Domenico Ninno +1
We characterize the transport properties of functionalized graphene nanoribbons using extensive first-principles calculations based on density functional theory (DFT) that encompas…
cond-mat.mtrl-sci2006★ 149 cited
Cycloaddition Functionalizations to Preserve or Control the Conductance of Carbon Nanotubes
Young-Su Lee, Nicola Marzari
We identify a class of covalent functionalizations that preserves or controls the conductance of single-walled metallic carbon nanotubes. [2+1] cycloadditions can induce bond cleav…
cond-mat.mtrl-sci2005
Band Structure and Quantum Conductance of Nanostructures from Maximally-Localized Wannier Functions: The Case of Functionalized Carbon Nanotubes
Young-Su Lee, Marco Buongiorno Nardelli, Nicola Marzari
We have combined large-scale, -point electronic-structure calculations with the maximally-localized Wannier functions approach to calculate efficiently the band structure and th…