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Article Dans Une Revue Journal of Physical Chemistry C Année : 2007

Prediction of gold zigzag nanotube-like structure based on Au-32 units: A quantum chemical study

Frederik Tielens
Juan Andres
  • Fonction : Auteur

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.

Domaines

Matériaux

Dates et versions

hal-01361373 , version 1 (07-09-2016)

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Citer

Frederik Tielens, Juan Andres. Prediction of gold zigzag nanotube-like structure based on Au-32 units: A quantum chemical study. Journal of Physical Chemistry C, 2007, 111 (28), pp.10342-10346. ⟨10.1021/jp071246u⟩. ⟨hal-01361373⟩
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