| Literature DB >> 21152584 |
Emmanuel Tylianakis1, Georgios K Dimitrakakis, Santiago Melchor, Jose A Dobado, George E Froudakis.
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.Entities:
Mesh：
Substances：
Year: 2010 PMID： 21152584 DOI： 10.1039/c0cc03002c
Source DB: PubMed Journal: Chem Commun (Camb) ISSN： 1359-7345 Impact factor: 6.222