We present an ab initio study of the structural, electronic, and quantum transport properties
of B–N-complex edge-doped graphene nanoribbons (GNRs). We find that the B–N edge …

We investigate the electronic structures and transport properties of the embedded zigzag
graphene nanoribbon (E-ZGNR) in hexagonal boron nitride trenches, which are achievable …

We present a first-principles study of electronic and transport properties of a novel W-shaped
graphene nanoribbon (W-GNR) structure that comprises hybrid GNR segments with …

We present the first principles calculations of zigzag graphene nanoribbons (ZGNR),
passivated and substitutionally doped with Fe atoms. The structural stability, electronic …

Electronic structures of zigzag edged graphene nanoribbons (ZGNRs) doped with boron (B)
or nitrogen (N) atoms are investigated by spin polarized first-principles calculations. We find …

We report a spin polarized density functional theory study of the electronic and transport
properties of graphene nanoribbons doped with boron atoms. We considered hydrogen …

Recent outbreaks in bottom-up chemical techniques have demonstrated the synthesis of
atomically perfect zigzag graphene nanoribbons (ZGNRs) and of their corresponding …

Carbon-based magnetic nanostructures have long spin coherent length and are promising
for spintronics applications in data storage and information processing. Recent experiments …

We show that spin-polarized electron transport can be achieved by the substitutional doping
of only one sublattice of graphene by nitrogen or boron atoms. The bipartite character via …

We characterize the transport properties of functionalized graphene nanoribbons using
extensive first-principles calculations based on density functional theory (DFT) that …