Wednesday, January 07, 2015

The ligand effect on the isomer stability of Au24(SR)20 clusters




Nanoscale , 2015, Advance Article

DOI: 10.1039/C4NR05826G, Communication

Qing Tang, Runhai Ouyang, Ziqi Tian, De-en Jiang

Density functional calculations show that the relative isomer stability of the Au24 (SR)20 nanocluster depends on the ligand and that the stereochemical interaction among ligands is crucial in affecting the relative energetics.

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