This Review highlights basic and transition metal conducting and semiconducting oxides.
We discuss their material and electronic properties with an emphasis on the crystal …

The development of smartphones and electric cars calls for electrochemical energy storage
devices with higher capacities, faster charging rates, and improved safety. A key to …

We present the VASPKIT, a command-line program that aims at providing a robust and user-
friendly interface to perform high-throughput analysis of a variety of material properties from …

The GW approximation in electronic structure theory has become a widespread tool for
predicting electronic excitations in chemical compounds and materials. In the realm of …

Hybrid organic–inorganic perovskites emerged as a new generation of absorber materials
for high-efficiency low-cost solar cells in 2009. Very recently, fully inorganic perovskite …

The fundamental energy gap of a periodic solid distinguishes insulators from metals and
characterizes low-energy single-electron excitations. However, the gap in the band structure …

Point defects and impurities strongly affect the physical properties of materials and have a
decisive impact on their performance in applications. First-principles calculations have …

Abstract Colloidal CsPbX3 (X= Br, Cl, and I) perovskite nanocrystals exhibit tunable
bandgaps over the entire visible spectrum and high photoluminescence quantum yields in …

The recent discovery of fast ion-conducting solid electrolytes could enable solid-state and
other advanced battery chemistries with higher energy densities and enhanced safety. In …

An extensive and wide-ranging literature about the polymorphs of titanium dioxide (TiO 2)
has accumulated during the last few decades, providing a very large resource of data on its …