Origin of simple staging in graphite intercalation compounds

Thermodynamics and Related Kinetics of Staging in Intercalation Compounds

“…With these parameters, occurrences of dilute stage 1, stage 3, stage 2, and stage 1 are indeed predicted at room temperature. However, the symmetric form of the second neighbor repulsive energy also implies the existence of a nonpure stage, called stage “3/2” following the notation of Millman & Kirczenow, to refer to a periodic structure in which the period consists of three host layers and two layers with high intercalant concentration. The occurrence of nonentire staging phases has been reported in other theoretical studies, − ,, supporting the view that the interlayer interaction is effective at long ranges.…”

X-Ray Diffraction Evidence for Nonstoichiometric Rubidium-C 60 Intercalation Compounds

“…In addition, a large number of single crystal spots could be seen. With the exception of a weak-to medium-intensity ring at -3.6 A [probably the (111) maximum of cubic H,O ice], the powder rings and singlecrystal spots could be indexed to a type I1 clathrate hydrate structure (space group Fd3m) (17,18) with an a-parameter of 16.3 A (Table 1) (19). In two earlier studies clathrate hydrates were inferred to have…”

Strategies for the Analysis of Graphite Electrode Function

“…Theoretical calculations/simulations based on interlayer repulsion and intralayer attraction between intercalant atoms largely corroborate the formation of relatively simple periodic nanoscale Li-domains/islands in agreement with the DH model, yet also indicate the existence of more complex structures. [41] However, obtaining experimental evidence of the Table 1. Crystallographic models for the main lithiated graphite intercalation compounds compiled from the literature.…”