Due to the recent expanding interest in two-dimensional layered materials, molybdenum
disulfide (MoS2) has been receiving much research attention. Having an ultrathin layered …

This Review flows from past attempts to develop a (rechargeable) battery technology based
on Ca via crucial breakthroughs to arrive at a comprehensive discussion of the current …

A study of the average voltage to intercalate lithium in various metal oxides is presented. By
combining the ab initio pseudopotential method with basic thermodynamics the average …

Intercalation of the layer type transition metal dichalcogenides by a variety of organic
molecules, alkali metals, or '3d'transition metals, provides a powerful way to finely tune the …

First principles computation methods play an important role in develo** and optimizing
new energy storage and conversion materials. In this review, we present an overview of the …

A compound is defined as layered when it is comprised of a two-dimensional arrangement
of atoms or slabs that consist of several layers of atoms, and when the &a-layer bonding is …

Owing to its unique structure, Chevrel phase (CP) is a promising candidate for applications
in rechargeable multivalent (Mg and Al) batteries. However, its wide applications are …

A first-principle's method to predict the intercalation voltage for lithium in metal oxides is
presented. Although the intercalation voltage for lithium is often related to aspects of the …

Ab initio band-structure calculations were performed for bulk, single slab, and thin films of Ti
X 2 (X= S, Se) using the localized spherical wave method. According to these calculations …

The ion-intercalation-based rechargeable batteries are emerging as the most efficient
energy storage technology for electronic vehicles, grids, and portable devices. These …