Rücktitelbild: Magnetism in Nonplanar Zigzag Edge Termini of Graphene Nanoribbons (Angew. Chem. 24/2023)

Limited robustness of edge magnetism in zigzag graphene nanoribbons with electrodes.

It is shown that apart from well-known factors, like temperature, substrate, and edge reconstruction effects, also the presence of external contacts is destructive for the formation of magnetic moments at the edges of graphene nanoribbons (GNRs). The edge magnetism gradually decreases when graphene/electrode interfaces become more and more transparent for electrons. In addition to the graphene/...

Stability of edge states and edge magnetism in graphene nanoribbons

Jens Kunstmann,1,* Cem Özdoğan,2 Alexander Quandt,3,4 and Holger Fehske3 1Institute for Materials Science, TU Dresden, Hallwachstr. 3, D-01069 Dresden, Germany 2Department of Materials Science and Engineering, Çankaya University, Balgat, TR-06530 Ankara, Turkey 3Institut für Physik der Universität Greifswald, Felix–Hausdorff-Str. 6, D-17489 Greifswald, Germany 4School of Physics and DST/NRF Cen...

Preserving the Edge Magnetism of Zigzag Graphene Nanoribbons by Ethylene Termination: Insight by Clar's Rule

By means of density functional theory computations, we demonstrated that C2H4 is the ideal terminal group for zigzag graphene nanoribbons (zGNRs) in terms of preserving the edge magnetism with experimental feasibility. The C2H4 terminated zGNRs (C2H4-zGNRs) with pure sp(2) coordinated edges can be stabilized at rather mild experimental conditions, and meanwhile reproduce the electronic and magn...

Effect of random edge-vacancy disorder in zigzag graphene nanoribbons

Enhanced half-metallicity in edge-oxidized zigzag graphene nanoribbons.

We present a comprehensive theoretical study of the electronic properties and relative stabilities of edge-oxidized zigzag graphene nanoribbons. The oxidation schemes considered include hydroxyl, lactone, ketone, and ether groups. Using screened exchange density functional theory, we show that these oxidized ribbons are more stable than hydrogen-terminated nanoribbons except for the case of the...