Observation of the smallest metal nanotube with a square cross-section

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Understanding the mechanical properties of nanoscale systems requires a range of measurement techniques and theoretical approaches to gather the relevant physical and chemical information. The arrangements of atoms in nanostructures and macroscopic matter can be different, principally due to the role of surface energy, but the interplay between atomic and electronic structure in association with applied mechanical stress can also lead to surprising differences. For example, metastable structures such as suspended chains of atoms(1-3) and helical wires(4,5) have been produced by stretching metal junctions. Here, we report the spontaneous formation of the smallest possible metal nanotube with a square cross-section during the elongation of silver nanocontacts. Ab initio calculations and molecular simulations indicate that the hollow wire forms because this configuration allows the surface energy to be minimized, and also generates a soft structure capable of absorbing a huge tensile deformation.43149152Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq