Alkali-Metal-Induced Enhancement of Hydrogen Adsorption in C60 Fullerene: An ab Initio Study
Citations Over TimeTop 10% of 2007 papers
Abstract
It is demonstrated that the doping of alkali metal atoms on fullerene, C60, remarkably enhances the molecular hydrogen adsorption capacity of fullerenes, which is higher than that of conventionally known other fullerene complexes. This effect is observed to be more pronounced for sodium than lithium atom. The formation of stable complex forms of a sodium-doped fullerene molecule, Na8C60, and the corresponding hydrogenated species, [Na(H2)6]8C60, with 48 hydrogen molecules has been demonstrated to lead to a hydrogen adsorption density of approximately 9.5 wt %. One of the main factors favoring the interactions involved is attributed to the pronounced charge transfer from the sodium atom to the C60 molecule and electrostatic interaction between the ion and the dihydrogen. The suitability of these complexes for developing fullerene-based hydrogen storage materials is discussed.
Related Papers
- → Radical Reaction of [60]Fullerene with Phosphorus Compounds Mediated by Manganese(III) Acetate(2011)82 cited
- → Lecture Notes on Fullerene Chemistry: A Handbook for Chemists(1999)120 cited
- → Facile fullerene modification: FeCl3-mediated quantitative conversion of C60 to polyarylated fullerenes containing pentaaryl(chloro)[60]fullerenes(2011)28 cited
- → Coordination and reactivity of functionalized fullerenes, open-cage fullerenes, and endohedral metallofullerenes by organometallic complexes(2014)15 cited
- → (Invited) Fullerene Cation-Mediated Demethylation/Cyclization to 5- and 7-Membered Cyclo[60]Fullerene Derivatives(2017)