Prediction of gold zigzag nanotube-like structure based on Au-32 units: A quantum chemical study
Résumé
The present study using theoretical methods based on density functional theory (DFT) discloses the conceivable existence of polymers composed of Au-32 (I-h) units corresponding to a conducting zigzag nanotube-like structure. The properties and reactivity of Au-32 cage-hollow structures as well as their corresponding assembled polymers have been analyzed by means of DFT descriptors.