Boron nitride (BN) has gradually emerged as a significant focus of research due to its unique
physical and chemical properties. Over the past few years, substantial advancements have …

3D (three dimensional) architectures synthesised using an easily scalable solid state
method which results in an interconnected network of porous h-BN sheets with boron …

The adsorption of CO, CO 2, NO and CO 2 gas molecules on different chiralities of single
boron nitride nanotubes (BNNTs) is investigated, applying the density functional theory and …

In the recent work, we have used the density functional theory (DFT) and the molecular
dynamics (MD) simulation methods to investigate the adsorption behavior of paracetamol …

Surface modification of a boron nitride nanotube (BNNT) with urea molecule was
investigated in terms of its energetic, geometric, and electronic properties using B3LYP and …

The development of a reliable and fast liquefied petroleum gas (LPG) sensor due to its
highly inflammable and explosive nature is crucial to ensure a safe and healthy …

A new composite material based on copper–benzene-1, 3, 5-tricarboxylate (Cu–BTC)
deposited on boron nitride nanotubes (BNNTs) in a hydrothermal process were investigated …

Highly active and inexpensive electrocatalysts are critical for metal-O 2 batteries or fuel cells.
In the present study, we synthesized single boron nitride nanosheet-supported palladium …

In present study, density-functional theory and molecular simulations were carried out to
examine adsorption of anticancer drug betulinic acid and its analogue 3-o-acetyl-betulinic …

Interaction of pure and Vn-doped (8, 0),(12, 0) and (16, 0) boron nitride nanotubes with CO
molecules was studied using B3LYP/6-311++ G (d) theoretical level. Substituting V instead …