The current manuscript investigates the armchair ZnO nanoribbons (ZnONRs) for the
negative differential resistance (NDR) characteristics through edge modification. The first …

Density functional theory (DFT) and nonequilibrium Green's function (NEGF) framework are
used to explore the structural, spin-polarized electronic, and spin-based transport properties …

In the present work, the spin-polarized structural and electronic properties of fluorine (F)
passivated zigzag boron nitride nanoribbons (ZBNNRs) at the selective boron (B) and …

Density functional theory (DFT) in conjugation with non-equilibrium Green's function (NEGF)
is used to investigate the structural, electronic, and transport properties of the pristine and …

The structural stability, spin-polarized electronic and transport properties of edge-
hydrogenated zigzag boron nitride nanoribbons (ZBNNRs) are investigated using density …

Nanoribbons exhibit peculiar electron confinements which could be further tuned via
controlled edge passivations. In this direction, we used density functional theory (DFT) to …

The present work investigates the behaviour of ZnO nanoribbons (ZnONRs) for the detection
of carcinogenic heavy metals. Density functional theory along with non-equilibrium Green's …

We have investigated how the structural and electronic properties of armchair GaN
nanoribbons (AGaNNR) are affected under the influence of fluorine (F 2) molecule …

Two-dimensional nanomaterials including graphene as well as its nanoribbons have started
to occur, which has accelerated the growth of contemporary nanotechnology. Silicene, a …

The potential of gallium nitride nanoribbon (GaNNR) as next-generation sensors for real-
time detection of toxic heavy metals (HMs) necessitates a deep understanding of their …