TY - JOUR
T1 - A bridge between silicon and gold structures. Resemblance between W@Si162+ and W@Au12 clusters
AU - Rodríguez-Kessler, Peter L.
AU - Muñoz-Castro, Alvaro
N1 - Publisher Copyright:
© 2025
PY - 2025/3/20
Y1 - 2025/3/20
N2 - W@Au12 is a prominent bare cluster featuring an icosahedral symmetry, with 18-cluster electrons (ce) in a 1S21P61D10 filled electronic shell structure, providing useful guidelines for designing building blocks towards functional nanostructures. Here, we evaluate a related silicon-based cluster, W@Si162+, featuring two sets of superatomic shells in a 1S21P61D101F142S21G182P62D10 electronic structure in terms of endohedral bonding and magnetic behavior to reveal its aromatic behavior. Our results denote the formation of a long-range magnetic behavior, which is similarly found for both W@Au12 and W@Si162+ clusters, supporting their resemblance ascribed as spherical aromatic units, unraveling a bridge between silicon and gold-based clusters. These results encourage further evaluation of silicon relatives to gold clusters towards achieving stable silicon-based cluster building units.
AB - W@Au12 is a prominent bare cluster featuring an icosahedral symmetry, with 18-cluster electrons (ce) in a 1S21P61D10 filled electronic shell structure, providing useful guidelines for designing building blocks towards functional nanostructures. Here, we evaluate a related silicon-based cluster, W@Si162+, featuring two sets of superatomic shells in a 1S21P61D101F142S21G182P62D10 electronic structure in terms of endohedral bonding and magnetic behavior to reveal its aromatic behavior. Our results denote the formation of a long-range magnetic behavior, which is similarly found for both W@Au12 and W@Si162+ clusters, supporting their resemblance ascribed as spherical aromatic units, unraveling a bridge between silicon and gold-based clusters. These results encourage further evaluation of silicon relatives to gold clusters towards achieving stable silicon-based cluster building units.
KW - Endohedral
KW - Gold
KW - Silicon
KW - Superatoms
KW - Tungsten
UR - http://www.scopus.com/inward/record.url?scp=86000801047&partnerID=8YFLogxK
UR - https://www.mendeley.com/catalogue/7a1fecd3-6437-3274-b279-2c59f056a81e/
U2 - 10.1016/j.cplett.2025.142042
DO - 10.1016/j.cplett.2025.142042
M3 - Article
AN - SCOPUS:86000801047
SN - 0009-2614
VL - 869
JO - Chemical Physics Letters
JF - Chemical Physics Letters
M1 - 142042
ER -