A novel three-dimensional composite was prepared by the self-assembly of MXene
nanosheets and carbon nanotubes (CNTs) with the assistance of cetyltrimethylammonium …

Screening a green corrosion inhibitor that can prevent Al anode corrosion and enhance the
battery performance is highly significant for develo** next-generation Al–air batteries. This …

The boron nitride fullerenes (BNFs) nanostructures which are chemically stable and
noncytotoxic in human bodies, are ideal for the delivery of various drugs. In this study …

In this paper, density functional theory (DFT) simulations are used to evaluate the possible
use of a graphene oxide-based poly (ethylene glycol)(GO/PEG) nanocomposite as a drug …

Silver-containing wastewater poses a great threat to the surrounding living areas due to its
toxicity and non-biodegradable. In this study, a novel polyvinylidene fluoride (PVDF)-based …

In this study, density functional theory (DFT) calculations were used to investigate the
interaction of the B 12 N 12 and Al 12 N 12 nano-cages with alprazolam (ALP) in the gas …

Smart implementation of novel advanced nanocarriers such as functionalized C 24 and B 12
N 12 nanocages is used supplement for antiviral activity 5-Fluoro-2-hydroxypyrazine-3 …

The removal of paracetamol from water is of prime concern because of its toxic nature in
aquatic environment. In the present research, a detailed DFT study is carried out to remove …

In this work, the functional density theory calculations were performed to investigate the
interaction mechanism (adsorption) of Cu 2+, Cr 3+ and Cd 2+ metal ions in cellulose (CE) …

In the present research, the interaction of chlormethine (CM) anticancer drug through its two
sites (N and Cl) with the X 3 OB 12 N 12 nano-cages (X= Li, Na, K) was investigated using …