Ion mobility in electrolytes and electrodes is an important performance parameter in
electrochemical devices, particularly in batteries. In this review, the authors concentrate on …

Developing new and sustainable batteries is essential for modern society. Both cationic
doping (eg transition metals) and anionic doping (F−, O2−, S2−, PO43−, etc.) can be …

Mg batteries with oxide cathodes have the potential to significantly surpass existing Li-ion
technologies in terms of sustainability, abundance, and energy density. However, Mg …

We developed and implemented a multi‐target multi‐fidelity workflow to explore the
chemical space of antiperovskite materials with general formula X3BA (X= Li, Na, Mg) and …

With the increased and rapid development of artificial intelligence-based algorithms coupled
with the non-stop creation of material databases, artificial intelligence (AI) has played a great …

Electrochemical stability is a critical performance parameter for the materials used as
electrolytes and electrodes in batteries. Using first-principles electronic structure …

The electrification of the transportation sector exacerbates all issues concerning the use of
critical materials in state‐of‐the‐art batteries and, therefore, urges the development of new …

Alkali metal ion batteries, and in particular Li-ion batteries, have become a key technology
for current and future energy storage, already nowadays powering many devices in our daily …

Nanoparticles of copper sulfide, including roxbyite Cu1. 8S, are important materials for many
applications, and they also serve as versatile templates for cation exchange reactions that …

Enabling high Mg ion mobility, spinel‐type materials are promising candidates for cathode
or solid electrolyte applications. To elucidate the factors governing the observed high …