Quantum chemical bonding descriptors have recently been utilized to design materials with
tailored properties. Their usage to facilitate a quantitative description of bonding in …

Recognizing the bonding situations in chemical compounds is of fundamental interest for
materials design because this very knowledge allows us to understand the sheer existence …

Chemical exfoliation of MAX phases into two-dimensional (2D) MXenes can be considered
as a major breakthrough in the synthesis of novel 2D systems. To gain insight into the …

Laser‐assisted field evaporation is studied in a large number of compounds, including
amorphous and crystalline phase change materials employing atom probe tomography. This …

Considering the recent breakthroughs in the synthesis of novel two-dimensional (2D)
materials from layered bulk structures, ternary layered transition metal borides, known as …

The chemical bond is one of the most powerful, yet much debated concepts in chemistry,
explaining property trends in solids. Recently, a novel type of chemical bonding was …

Through first-principles calculations, we report on the phonon-limited transport properties of
two-dimensional (2D) hexagonal MSe (M= Ge, Sn, and Pb) compounds, which can be seen …

Exploration of metastable phases holds profound implications for functional materials.
Herein, we engineer the metastable phase to enhance the thermoelectric performance of …

The design of solids with tailored material properties requires a thorough understanding of
their electronic structures. Examining the latter typically includes chemical-bonding …

All-inorganic halide double perovskites have emerged as a promising class of materials that
are potentially more stable and less toxic than lead-containing hybrid organic–inorganic …