Porous nanotube network: a novel 3-D nanostructured material with enhanced hydrogen storage capacity

• DOI: 10.1039/c0cc03002c
• Publication Date: 2010-12-10T16:00:19Z
• Authors: Emmanuel Tylianakis; Georgios K. Dimit...; Santiago Melchor; Jose A. Dobado; George E. Froudakis
• Keywords: Gravimetric analysis

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 large-pore PNN can overpass the gravimetric capacity of 20% at 77 K while Li-doped reach value 8% room temperature.