Thirteen-atom metal clusters for genetic materials

Superatomic Signature and Reactivity of Silver Clusters with Oxygen: Double Magic Ag 17 – with Geometric and Electronic Shell Closure

“…Previously published studies have proposed a concept of "double magic" or "doubly magic" to account for the stable clusters with both geometric and electronic shell closure within a magic number of valence electrons. 24,69,70 S10), the unpaired (single occupied highest molecular orbital) electron (i.e., 2S 1 ; Supporting Information Figure S17) trapped in the monosilver core can hardly affect the surface chemical properties, while the other delocalized valence electrons occupy the lower energy orbitals of the cluster. Thus, Ag 18 also possesses certain stability as indicated by the 13 where n is the total number of oscillator quanta, n z is the number of oscillator quanta in the axial direction, and Λ is projection of the orbital angular momentum along the axis of symmetry.…”

“…20 Advances in exploring stable clusters not only shed light on magic clusters but also enlighten the development of inert/reactive clusters that mimic atoms in the periodic table of elements, giving rise to the establishment of the superatom concept. 19,21 In the ongoing pursuit of other superatoms, [22][23][24][25][26][27][28] it is important to further unravel the nature of superatom chemistry 29 and understand how metal clusters are subject to the fundamental principles that govern their stability and activity, especially the interplay between electronic and geometric factors.…”

The mechanism underlying the functionalisation of cobalt nanoparticles by carboxylic acids: a first-principles computational study

“…In order to gauge the relevance of the size of the NP which was captured for the thiol-gold system, 68 H 2 generation on the 57-atom cluster was compared to the same process on a 13-atom counterpart with well-established gas-phase stability. 69 In addition, a comparison in energy barriers of carboxyl and thiol ligands was carried out. To reduce the computational cost, smaller acetic acid and ethanethiol molecules were employed in these calculations.…”

Co13O8—metalloxocubes: a new class of perovskite-like neutral clusters with cubic aromaticity

“…In particular, the metal cluster stability can be reinforced by ligand protection. In recent years, various ligand-protected metal clusters have been synthesized via wet chemistry [ 14–18 ], where diverse thiols are employed as stabilizers and ligands, allowing for electron transfer and hence balanced charge distribution, occasionally exhibiting superatom characteristics of the core [ 11 , 19 ].…”