Effect of atomic under-coordination on the properties of Ag and Cu nanoclusters

• Main Authors: Ahmadi, Shideh, Zhang, Xi, Gong, Yinyan, Sun, Chang Qing
• Other Authors: Banerji, Natalie
• Format: Conference or Workshop Item
• Language: English
• Published: 2015
• Subjects: DRNTU::Engineering::Materials::Nanostructured materials
• Online Access: https://hdl.handle.net/10356/106674; http://hdl.handle.net/10220/25122; http://dx.doi.org/10.1117/12.2059745
• Institution: Nanyang Technological University

Density functional theory calculations have been carried out to investigate the effect of the atomic under-coordination on the bond contraction, lattice strain, and electron configuration of Cuboctahedral and Marks decahedral structures of silver and copper nanoclusters. Our calculated results are c...