title: Porous nanotube network: a novel 3-D nanostructured material with enhanced hydrogen storage capacity.
abstract: A multiscale theoretical approach (ab initio and Grand Canonical Monte Carlo calculations) was used to investigate hydrogen storage in a novel three-dimensional carbon nanostructure. Our results show that a large-pore PNN can overpass the gravimetric capacity of 20% at 77 K while a Li-doped PNN can reach the value of 8% at room temperature.
authors.affiliation: Materials Science and Technology Department, University of Crete, P.O. Box 2208, 71003 Heraklion, Crete, Greece.
authors.forename: Emmanuel
authors.initials: E
authors.lastname: Tylianakis
authors.forename: Georgios K
authors.initials: GK
authors.lastname: Dimitrakakis
authors.forename: Santiago
authors.initials: S
authors.lastname: Melchor
authors.forename: Jose A
authors.initials: JA
authors.lastname: Dobado
authors.forename: George E
authors.initials: GE
authors.lastname: Froudakis
mesh_terms: D000327:Adsorption; D006859:Hydrogen / Q000737:chemistry*; D009010:Monte Carlo Method; D037742:Nanotubes, Carbon / Q000737:chemistry*; D016062:Porosity; D013696:Temperature
chemical_list: D037742:Nanotubes, Carbon; D006859:Hydrogen