Elucidating the adsorption of 2-Mercaptopyridine drug on the aluminum phosphide (Al12P12) nanocage: A DFT study

Aluminium phosphide (Al12P12) nanocage as a potential sensor for volatile organic compounds: A DFT study

“…Aerwards, the F was calculated to determine the sensing ability of the studied nanocages using eqn (12), 54 where V el(+N) identies the electrostatic potential far from the nanocage surface that was postulated to be z0.…”

“…[4][5][6] It is worth mentioning that inorganic aluminium phosphide (Al 12 P 12 ) nanocage was earlier distinguished by its distinctive chemical features, including a high energy gap and low electron attraction. [7][8][9] The potential applications of Al 12 P 12 in non-linear optics, 10 drug carriers, 11,12 and sensors 13,14 have garnered tremendous attention. As an appropriate sensing material, the adsorption of cyanogen chloride and hydrogen cyanide toxic gases on the surface of Al 12 P 12 was investigated.…”

“…12 s −1 and Boltzmann's constant, respectively. The sensitivity of Al 12 P 12 nanocage toward sensing MeOH and EtOH molecules was investigated in all plausible congurations utilizing numerous DFT calculations.…”

A Comparative DFT Investigation of the Adsorption of Temozolomide Anticancer Drug over Beryllium Oxide and Boron Nitride Nanocarriers

“…Nanotechnology, first proposed in 1965, has piqued significant interest due to its applications in various life sectors. − With the advent of nanotechnology, numerous strategies have been introduced toward targeted drug delivery processes. − Consequently, nanoscale materials (i.e., nanocarriers) have been applied as targeted and controlled drug delivery systems. , Nanocarriers are characterized as one of the foremost promising drug delivery systems with boundless possibilities. Nanocarriers are anticipated to enhance the solubility of drugs within the body. , Due to their small size, nanocarriers are able to easily penetrate the cell barrier and deliver drugs in significant concentration .…”

“… 5 − 7 Consequently, nanoscale materials (i.e., nanocarriers) have been applied as targeted and controlled drug delivery systems. 8 , 9 Nanocarriers are characterized as one of the foremost promising drug delivery systems with boundless possibilities. Nanocarriers are anticipated to enhance the solubility of drugs within the body.…”