This work investigated the hydrogen adsorption potentials of the Fe-doped (magnetic) and
Al-doped (nonmagnetic) armchair silicon carbide nanotubes (SiCNTs) as candidates for …

Due to the recent demands to replace fossil fuels with hydrogen, researchers are making
many attempts to develop new materials to store hydrogen energy. Hydrogen is considered …

Structural, electronic, and optical properties of a new combined system of carbon and boron
nitride nanotubes are studied using the DFT first principles as implemented in Quantum …

This work investigates the fundamental photocatalytic properties of nitrogen-doped single-
walled silicon carbide nanotubes (N-doped SWSiCNTs) for hydrogen evolution for the first …

This study investigated the photocatalytic properties of MoS2-doped boron nitride nanotubes
(BNNTs) for overall water splitting using popular density functional theory (DFT) …

This work investigated the gamma ray attenuation power of barium calcium aluminosilicate
glass by using silicon carbide nanotube modifiers. Shielding efficiency of BaO–15CaO …

Using density functional theory, this work investigated the photocatalytic potentials of gallium
nitride nanotubes (GaNNTs) under separate doping of Si and B impurities. The study was …

Given that adsorption is widely regarded as a favorable technique for hydrogen storage, it is
appropriate to pursue the development of suitable adsorbent materials for industrial storage …

The effect of the cumulant approximations and commonly electronic structure methods
predominantly devoted to studying material properties at the atomic and molecular levels is …

Context α-Pinene, a bicyclic monoterpene found extensively in the essential oils of conifers,
has shown potential in pharmacological applications. This study theoretically investigates …