Intercalation provides to the host materials a means for controlled variation of many physical/chemical properties and dominates reactions in metal-ion batteries. Of particular interest is graphite intercalation compounds with intriguing staging structures, which however are still unclear, especially their nanostructure dynamic transition mechanism. Herein, nature structure evolution lithium (L...

Graphite reacts with potassium to form lamellar compounds of different stoichiometry depending on the precise conditions of the preparation.' The best known is the potassium-graphite intercalation compound of stoichiometry C,K, in which each interlayer space in the graphite is occupied by a layer of potassium atoms, i.e. the so-called 'first stage' intercalate. The well defined three dimensiona...

We studied Li-intercalated carbon nanotube ropes by first-principles methods. Results show charge transfer between Li and C and small structural deformation due to intercalation. Both the interior of the nanotube and the interstitial space are susceptible for intercalation. The Li intercalation potential of a single-walled nanotube rope is comparable to that of graphite and almost independent o...

We report on the energetics of intercalation of lithium, sodium and potassium in graphite by density functional theory using recently developed van der Waals (vdW) density functionals. First stage intercalation compounds are well described by conventional functionals like GGA, but van der Waals functionals are crucial for higher stage intercalation compounds and graphite, where van der Waals in...

Graphite intercalation compounds, where some atom or molecule is inserted between the carbon layers of the host graphite, are attractive materials for charge storage. In commercial, rechargeable lithium ion batteries, for instance, the graphite anode intercalates and de-intercalates lithium as the battery is cycled [1]. In this work we present our in situ scanning transmission electron microsco...

Angle-resolved photoemission spectroscopy and Auger electron spectroscopy have been applied to study the intercalation process of silver underneath a monolayer of graphite (MG) on Ni(111). The room-temperature deposition of silver on top of MG/Ni(111) system leads to the islands-like growth of Ag on top of the MG. Annealing of the ”as-deposited” system at temperature of 350450◦ C results in the...