First row transition metal doped B12P12 and Al12P12 nanocages as excellent single atom catalysts for the hydrogen evolution reaction

Exploring the potential of single-metals (Cu, Ni, Zn) decorated Al12N12 nanostructures as sensors for flutamide anticancer drug

“… [ 51 ] 5 First row transition metal doped B 12 P 12 and Al 12 P 12 nanocages as excellent single atom catalysts for the hydrogen evolution reaction Results show that all transition metals are chemisorbed on the support, with interaction energies ranging from −0.65 to −3.85 eV. The chemical adsorption as observed herein is in agreement with our phenomenal of adsorption [ 52 ] …”

“…1 , the doped metals did not cause any structural change in the aluminum nitrite complex at the doping site. The increase in bond length for Al–Ni can be linked to larger atomic size of the metals [ [50] , [51] , [52] , [53] ]. Another information revealed in Table 1 is the bond length after interaction of the doped surface with flutamide (FLU@Cu–Al 12 N 12 , FLU@Ni–Al 12 N 12 , and FLU@Zn–Al 12 N 12 ), and pictorial representation of this interaction is shown in Fig.…”

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

“…3 More recently, the utilization of phosphide nanocages has attracted the attention of scientists. [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.…”

Hydrogen Dissociation Reaction on First-Row Transition Metal Doped Nanobelts

“…In the catalytic world, these hydrogenation reactions display a vital contribution to industrial chemical processes with respect to market sales [ 9 ]. Metal-decorated electrocatalysts have been abundantly utilized as catalysts due to their appropriate electronic structures, which allows for the easy adsorption and dissociation of the H 2 molecule on the metal catalytic surface [ 10 , 11 , 12 ].…”