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MODELLING NANOTUBES for their APPLICATIONS as MEMBRANES and MASS SENSORS

  1. [title page] [abstract]
  2. Introduction - [ideal project flow][III-V semiconductors were a nogo] [ carbon is a winner]
  3. Carbon modelling - [ classical potentials ] [ diamond and graphite ][ nanotubes ][ recent directions ]
  4. Nanotube membranes for hydrogen separation - [ experiments/application ][ simple model ] [ self-diffusion ][ GCMC-MD ] [ better model ] [ results ] [ extensions ]

  5. Nanotubes as sensors - [ experiments/application ] [ simple model ] [ results ] [ better model ][ quo vadis? ]

  6. [ conclusions ]