From Monolayer-Protected Gold Cluster to Monolayer-Protected Gold-Sulfide Cluster: Geometrical and Electronic Structure Evolutions of Au₆₀S _<i>n</i> (SR)₃₆ (<i>n</i> = 0-12).

An overall trend of the HOMO–LUMO gap in these NCs was that with the increase of the number of dopant S atoms, the HOMO–LUMO gap increased gradually.

also in 4,871 other papers

On the other hand, the electronic density of Au 60 S n (SR) 36 ( n = 0–12) showed a trend that from the metal NC Au 60 (SR) 36 to the gold-sulfide QD Au 60 S 12 (SR) 36 , the LUMO density distribution gradually changed from the local distribution on the Au core to the diffusion distribution on the Au–S(μ 4 ) skeleton.

also in 53,322 other papers