Electronic and geometric structures of Au30 clusters: A network of 2e-superatom Au cores protected by tridentate protecting motifs with u3-S

Nanoscale, 2015, Accepted Manuscript
DOI: 10.1039/C5NR05020K, Paper

Zhimei Tian, Longjiu Cheng
Density functional theory calculations have been performed to study the experimentally synthesized Au30S(SR)18 and two related Au30(SR)18 and Au30S2(SR)18 clusters. The patterns of thiolate ligands on the gold cores for...
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