article Open Access
Density functional investigation of the adsorption of nitric oxide on palladium clusters (PDN n=1-6)
International Journal of Advanced Chemistry Research · 2020 · Vol. 2(1) · pp. 05–08
Abstract
The adsorption of nitric oxide molecule on small palladium clusters (Pdn;n=1–6) has been investigated by the density functional theory. The orientations of nitric oxide to get a nitrosyl (-NO) and Isonitrosyl (-ON) ligands were implemented. The most stable palladium clusters have been used as adsorbate. The resulting nitrosyl and Isonitrosyl palladium complexes always chemisorbs in a bent geometry. The nitrosyl complexes showed higher binding energy, charge donation, HOMO-LUMO gap and u(NO) than their isonitrosy counterparts. Looking to the thermodynamic and kinetic stability of the cluster and their interaction with nitric oxide.
Nanomaterials for catalytic reactionsInorganic Chemistry and MaterialsNanocluster Synthesis and ApplicationsPalladiumNitric oxideDensity functional theoryBent molecular geometryChemistryAdsorptionOxideBinding energyCluster (spacecraft)Molecule
Citations
2
FWCI
0.21
field-weighted impact
References
0
Percentile
50%
vs. same field & year
Citation Network
How this paper connects to the literature. Drag to explore, click any node to open that paper.