The discovery of magnetism in carbon structures containing zigzag edges has stimulated
new directions in the development and design of spintronic devices. However, many of the …

The molecule zinc methyl phenalenyl (ZMP), which is a neutral planar phenalenyl-based
molecule, has been successfully synthesized experimentally, and large magnetic anisotropy …

To achieve an excellent rectification for molecular rectifiers has been an unmet goal to date.
Here, we report calculated results on high-performance molecular rectifiers, where two semi …

Abstract Structure, electronic, and transport properties of sulfur dioxide (SO 2) molecule
adsorbed on pure and Cr doped zigzag graphene nanoribbons (ZGNRs) are investigated by …

The strain-promoted reversible spin flip and spin transfer on double-magnetic-center
graphene nanoflakes (Ni 2 &GNFs) are investigated with first-principles quantum chemical …

Sandwiching a donor–acceptor molecule between two graphene nanoribbon (GNR)
electrodes to construct a particular molecular diode, our calculations from the first-principles …

Tuning the magneto-electronic properties of graphene-based structures into distinguished
performance is an interesting but challenging work. To address this issue, we here construct …

A pristine zigzag-edge trigonal graphene (ZTG) is a magnetic semiconductor, thus its spin
polarization is extremely low. Here, we report the calculated results on enhancing the spin …

The spin polarization property of a zigzag-edge trigonal graphene (ZTG) linked with different-
length carbon chains C n is investigated theoretically. It has been found that the …

Magneto-electronics properties of fluorine-passivated “Christmas Tree” graphene
nanoribbons (F-CTGNRs) are investigated theoretically. It is found that F-CTGNRs have a …