Oil reservoir formation damage is a challenging issue associated with water and/or gas
reservoir flooding in secondary and tertiary oil recovery operations. Some enhanced oil …

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 …

Using the tight-binding approach based on density functional theory (DFT) and
nonequilibrium Green's function (NEGF) computations, the potential use of single-walled …

Materials based on graphene have been increasingly exploited as drug delivery methods in
biomedicine. In this work, Circumcoronene (CC) and Boron Nitride Circumcoronene (BNCC) …

The electronic properties of GNFs are controlled by utilizing different impurities, such as
boron, nitrogen and oxygen. The differences in the electronic properties of the pristine GNFs …

Density functional theory (DFT) calculation was carried out to understand the nature of the
interactions between Cellulose/single-wall boron nitride nanotube (Ce/SWBNNTs) …

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 …

Graphene nanoribbons are primary components in the advance of graphene
nanoelectronics. Consequently, there are a significant progress in the numerous fabrication …

In the present study, the interaction between Malva and Boron nitrid nanotube (9, 9-9)[BNNT
(9, 9-9)] by DFT calculations has been investigated for the first time. The interaction effects of …

The main purpose of this study is a better comprehension of the non-bonded interaction
between a molecule dye 7-hydroxy phenothiazine 3-one (Dye) and Boron Nitride nanotube …