Intercalation cotnpounds with one type of guest atom are pseudobinary systems as long as the host retains its structure, and the behavior of such compounds can often be understood with two-component models. '2 One component is then the guest and the other is the interstitial site where the guest resides. Similarly, intercalation compounds with two types of guests are pseudoternary systems. Addi...

Lithium can be reversibly intercalated into layered Li(1+x)V(1-x)O(2) (LiCoO(2) structure) at ~0.1 V, but only if x>0. The low voltage combined with a higher density than graphite results in a higher theoretical volumetric energy density; important for future applications in portable electronics and electric vehicles. Here we investigate the crucial question, why Li cannot intercalate into LiVO...

Li-ion batteries experience mechanical stress evolution due in part to Li intercalation into and de-intercalation out of the electrodes, ultimately resulting in performance degradation. In situ measurements of electrode stress can be used to analyze stress generation factors, verify mechanical deformation models, and validate degradation mechanisms. They can also be embedded in Li-ion battery m...

Changes in samples of Li12xCoO2 were measured by X-ray diffractometry ~XRD! after thermal aging treatments that cause capacity losses in electrochemical cells. Changes in lattice parameters were used to identify lithium re-intercalation into Li12xCoO2 when it was aged in the presence of LiClO4 , LiPF6 , and LiAsF6 in propylene carbonate ~PC!. Li 1 re-intercalation could account for the reversib...

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...

A series of Mn-based intercalation compounds have been applied as the cathode materials of Li-ion batteries, such as LiMn2O4, LiNi1−x−yCoxMnyO2, etc. With open structures, intercalation compounds exhibit a wide variety of thermodynamic and kinetic properties depending on their crystal structures, host chemistries, etc. Understanding these materials from thermodynamic and kinetic points of view ...

A new model of Li intercalation into rutile and anatase structured titania has been developed from first principles calculations. The model includes both thermodynamic and kinetic effects and explains the observed differences in intercalation behavior and their temperature dependence. The important role of strong local deformations of the lattice and elastic screening of interlithium interactio...

The unstable interface of lithium metal in high energy density Li sulfur (Li-S) batteries raises concerns of poor cycling, low efficiency and safety issues, which may be addressed by using intercalation types of anode. Herein, a new prototype of Li-ion sulfur battery with high performance has been demonstrated by coupling a graphite anode with a sulfur cathode (2 mA h cm(-2)) after successfully...

This work studied hybrid batteries assembled with a Mg metal anode, a Li(+) ion intercalation cathode and a dual-salt electrolyte containing Mg(2+) and Li(+) ions. We show that such hybrid batteries were able to combine the advantages of Li and Mg electrochemistry. They delivered outstanding rate performance (83% capacity retention at 15 C) with superior safety and stability (~5% fade for 3000 ...

The effects of structure and morphology on lithium storage in single-wall carbon nanotube (SWNT) bundles were studied by electrochemistry and nuclear magnetic resonance techniques. SWNTs were chemically etched to variable lengths and were intercalated with Li. The reversible Li storage capacity increased from LiC(6) in close-end SWNTs to LiC(3) after etching, which is twice the value observed i...