Diamond and Related Materials · Alnoor Digital Repository

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Title	Item sets
DFT, molecular docking, and ADMET studies for the adsorption behavior and anti-inflammatory activity of thiazole by B12N12 and OH-B12N12 nanoclusters	Publications
DFT study of SCN? adsorption effect on structural and electronic properties of Si12C12 fullerenes	Publications
The potential of 2D carbon nitride monolayer as an efficient adsorbent for capturing mercury: A DFT study	Publications
A DFT study on the application of B, N, and BN-doped phagraphene in Na-ion batteries	Publications
Density functional theory assessments of an iron-doped graphene platform towards the hydrea anticancer drug delivery	Publications
Carbon dioxide reduction to methane and ethanol by using boron carbide monolayer as a suitable photocatalyst	Publications
The first-principles study of pure and doped g-CN nanosheet as a drug delivery system	Publications
Improvement power conversion efficiency in graphene quantum dot by functionalization and heteroatom doping used in solar cell	Publications
Investigation of hexagonal boron nitride monolayer with pores as an anode material for sodium-ion batteries	Publications
Robust advantage of MXene/g-C3N4 loaded on Fe2WO6/BiIO4 nano-platform for chemo-peroxidase colorimetric detection of uranyl ions, antifungal properties, photocatalytic degradation of p-chlorophenol, and eco-toxicity studies	Publications