Testing the validity of small angle and adsorption-based characterization techniques by atomic-scale simulation

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This work aims at testing small angle scattering and adsorption/desorption-based characterization techniques routinely used for nanoporous material characterization (specific surface and pore size distribution measurements). For that purpose, we report Grand Canonical Monte Carlo results [...]

Self-Assembly of Tetraazamacrocyclic Compounds on Single-Walled Carbon Nanotubes: Experimental and Theoretical Studies

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All the existing methods of chemical modification of carbon nanotubes (CNTs) can be divided in two groups, depending on whether functionalizing moieties are introduced onto the nanotube tips or sidewalls. The latter approach offers wider [...]