Water on the outside of carbon nanotube bundles | Zendy

M. C. Gordillo | Zendy; Jordi Martı́ | Zendy

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Water on the outside of carbon nanotube bundles

Author(s) -

M. C. Gordillo,

Jordi Martı́

Publication year - 2003

Publication title -

physical review. b, condensed matter

Language(s) - English

Resource type - Journals

eISSN - 1095-3795

pISSN - 0163-1829

DOI - 10.1103/physrevb.67.205425

Subject(s) - carbon nanotube , bundle , materials science , adsorption , chemical physics , molecular dynamics , molecule , phase transition , nanotube , phase (matter) , surface (topology) , carbon fibers , nanotechnology , molecular physics , condensed matter physics , composite material , chemistry , computational chemistry , physics , geometry , organic chemistry , mathematics , composite number

Molecular-dynamics simulations of water on the outer surface of a bundle of carbon nanotubes are reported. We observed a first-order phase transition from a low-density regime in which the water molecules are confined in the grooves between tubes and a high-density one, characterized by adsorption of water on all the surface exposed. Both phases could be experimentally detected by the differences in the locations of the main peaks of their infrared spectra.

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