Quantum Size Effects of Ag n Clusters on Carbon Nanotubes

• Published in: Journal of physical chemistry. C Vol. 123; no. 47; pp. 28769 - 28776
• Main Authors: Duchêne, Nicolas Anton, Rochefort, Alain
• Format: Journal Article
• Language: English
• Published: American Chemical Society 27.11.2019

The electronic structures of different Ag clusters adsorbed on metallic and semiconducting carbon nanotubes (CNTs) were studied using a first-principles density functional theory method. More precisely, we have considered Ag n with n = 4, 13, 55, and 147 atoms to describe the quantum size effects as...