Volatile organic compounds (VOCs) are a major threat to human life and health. The
technologies currently used to remove VOCs mainly include adsorption and photocatalysis …

Carbon nanotubes have garnered significant interest due to their promising applications and
facile synthesis. This study highlights the applications of CNTs in the field of hydrogen …

H 2 storage capabilities of penta-octa-graphene (POG) adorned by lightweight alkali metals
(Li, Na, K), alkali earth metals (Be, Mg, Ca) and transition metals (Sc, Ti, V, Cr, Mn) are …

As SARS-CoV-2 is spreading rapidly around the globe, adopting proper actions for
confronting and protecting against this virus is an essential and unmet task. Reactive oxygen …

In this paper, the adsorption of molecular hydrogen on Ruthenium (Ru) decorated boron-
doped single-walled carbon nanotube (CNT) is theoretically studied, based on the density …

Here through doping Boron element in the aromatic ring of the graphdiyne, we demonstrate
that the preferred adsorption site for Li and Na can be changed effectively. For double side …

Molecular catalysts have been extensively studied for fundamental understanding of the
catalytic mechanism of specific active sites for carbon dioxide (CO2) reduction, and nitrogen …

In this study, single-wall carbon nanotubes (SWCNTs) decorated by platinum-group
transition metals (Pt, Pd, Rh, or Ru) were introduced as promising nanosensors for the …

We investigated Li-doped carbon nanotubes (CNTs) as a promising hydrogen storage
media. In this computational model, we considered isolated lithium atom adsorbed on a CNT …

Novel carbon-based periodic networks of crossed nanotubes with fullerene junctions (FNT-
nets) has been designed as a potential solid hydrogen storage medium. Density functional …