Adsorption of multiple NO molecules on Au₁₀⁻and Au₉Zn⁻planar clusters. A comparative DFT study

Abstract

The doping of atomic clusters with transition metal atoms modifies to a lesser or greater extent the catalytic properties of pure specimens. Here we study by means of DFT the...

211At on gold nanoparticles for targeted radionuclide therapy application

“…A similar theoretical study performed by Fernández and Balbá on multiple NO adsorptions on Au 10 − and Au 9 Zn − clusters found that after the first NO molecule is adsorbed, the subsequent adsorptions yield weaker adsorption energies. 140 This result means that a trade-off needs to be found where the adsorption strength is optimized with the amount of adsorbates on the surface. Additionally, different sized AuNPs are made up of different facets, which may yield different adsorption strengths and numbers of possible adsorbates.…”