Hydrogen Sorption in Li₁₂C₆₀

Abstract

The lithium-intercalated fulleride Li 12 C 60 was investigated in view of a lightweight hydrogen storage material due to the low molecular weight of its constituents. Deuterium (D 2 ) absorption in Li 12 C 60 shows an uptake of up to 9.5 mass % D 2 (equivalent to ∼5 mass % H 2 for the same stoichiometry). Under a pressure of 190 bar the onset of absorption was observed at a temperature below 100 °C, which is 200 °C lower than that for pure C 60 . Deuterium desorption was investigated by in-situ neutron powder diffraction, and at a pressure of 1 bar desorption was observed above 300 °C. The ab/desorption is accompanied by a partial de/reintercalation of lithium, observed by the appearance and disappearance of LiD reflections after absorption and during desorption, respectively. A minor part of deuterium is present in ionic form in LiD, and the major part is covalently bound in a Li-depleted compound Li 12−x C 60 D 36+y .

Hydrogen storage mechanism and lithium dynamics in Li12C60 investigated by μSR

“…In the first case, the formation of a muonic radical is observed, proving that H (Mu) is immediately chemisorbed by C 60 after the molecule dissociation. In the second case, H will bind to Li to initiate the formation of LiH (always found in Li 12 C 60 H y ) [10]. Only after the amount of free Li in the lattice is suitably decreased, the C 60 hydrogenation is expected to start.…”

“…Unfortunately, the existence of such superulleroids systems in the solid-state has never been confirmed, mainly due to the marked tendency of metals towards clusterization [6]. Nonetheless, the intercalation of lithium and sodium at high extent in fullerene host lattice leads to the formation of alkali-cluster intercalated fullerides, which indeed proved to reversibly uptake rather high amount of hydrogen via a complex chemisorption mechanism [7][8][9][10]. In these systems, the number of intercalated ions equals or exceeds the six-fold degeneracy of the t 1u -LUMO of C 60 .…”

“…[14] Above 553 K the structure was determined to be fcc (space group ‫3݉ܨ‬ ത ݉), with a Li cluster in the central octahedral void and the C 60 molecule characterized by rotational disorder [17]. Li 12 C 60 is able to reversibly absorb up to 5 mass% H 2 with an onset temperature below 373 K [10], about 150 K lower than Li 6 C 60 [7]. In both materials, after the absorption of hydrogen a partial segregation of LiH has been identified.…”

Harnessing the Synergistic and Complementary Properties of Fullerene and Transition-Metal Compounds for Nanomaterial Applications

“…Alkali metal doped fullerides display a range of useful properties such as superconductivity, [280,281] ferromagnetism and magnetoresistance, as well as the potential for application in hydrogen storage. [282] Examples of transition metal doped fullerides are less abundant, and are summarised in Table 7. Among the transition metals fulleride compounds most common are smaller first row transition metals derivatives, with various examples of Cr compounds [285][286][287][288][289][290][291][292][293][294][295] as well as Ti, [283] V, [284] Mn, [296] Ni, [296,297] Fe [296,297] and Cu.…”

Geometric Structure, Electronic Property, and Hydrogen Storage Capacity of the Sc Atoms Decorated Expanded Sandwich Type Structure Graphene-Sc-graphene

“…目前, 碳纳米结构由 [3] 、Sc 20 B 60 [4] , Sc n C 70 [5] 等. 实验上也已经证明使用金属原子对纳米材 料进行掺杂, 有利于进一步储氢, 例如 Li 12 C 60 [8] , Li 修饰 的多孔材料 [9,10] 等.…”