In the present investigation, the capability of the pristine pentagonal BCN (penta-BCN)
nanosheet for sensing and drug delivery of the nitrosourea and hydroxyurea anticancer …

A calculation based on density functional theory has been used to study the ability of Pd
doped armchair single-walled armchair carbon nanotubes as a drug delivery system for …

This study employs density functional theory (DFT) calculations to examine the potential of C
2 B and C 2 O substrates as drug carrier frameworks for 6-thioguanine (6-TG) and …

Investigation of the interactions between nanomaterials and molecules at the molecular
level is a crucial factor in the design of novel materials for nanosensor applications. In this …

The identification of suitable nanocarriers for drug delivery has been a constant area of
research and development. Two-dimensional nanomaterials based on graphene have been …

Among the low-dimensional carbon-based systems, bilayer graphene garners great interest.
In contrast to monolayer graphene, infinite bilayer graphene displays a gap in the electronic …

The electronic properties of the T-Greaphene nanosheet (T-GNS) are developed by using
different concentrations of the Al and Si impurities. The results demonstrated the electronic …

The interaction between nucleic acid bases and graphene, along with its derivatives, is
crucial for various applications like biosensors, drug delivery, and bio-nanotechnology. The …

Nanoelectronics devices, which are crucial for numerous applications, are created by
modifying the electronic properties of manufactured graphene. Graphene nanoflake (GNF) …

In this work, density functional theory (DFT) has been used to calculate the electronic
properties of Circumcoronene (CC) and CC-doped by zinc oxide (ZnO). The do** …