Reviewing a subject is done to provide an insight into theoretical and conceptual
background of the study. Looking back into the history of an emerging field and summarizing …

The cove-defect is found to improve the stability of the nanoribbons through bond length
reconstructions at the cove-edge. Density functional theory (DFT) and non-equilibrium …

In this work, we have investigated the sensitivity of two Volatile Organic Compounds (VOCs),
formaldehyde (FD) and acetaldehyde (AD) on the surface of two-dimensional (2D) Armchair …

Using first principles calculations within the context of density functional theory (DFT) and
non-equilibrium Green's function (NEGF), the electronic transport properties of fluorinated …

The effects of (hydrogen/halogen)–edge termination on the structural, electronic, and optical
properties of planar SiNRs with either zigzag (ZSiNRs) and armchair (ASiNRs) edges are …

While synthesizing quasi-one-dimensional nanoribbons, there is a finite probability that
edges have cove-edge defects. This paper focuses on the structural, electronic, and …

Using density functional theory (DFT) and non-equilibrium Green's function (NEGF)
formalism, the electronic and transport properties of ammonia (NH 3) molecule adsorbed on …

This paper presents the negative differential resistance (NDR) behavior of double gate
graphene field effect transistor. The channel length of the device is considered as 4 nm and …

Armchair ZnONRs doped with nitrogen are investigated in the current manuscript for
possible applications based on negative differential resistance (NDR). To conduct the …

Density functional theory (DFT) combined with non-equilibrium Green's function (NEGF)
formalism is performed to explore electronic properties (geometrical stability, band structure …