Graph neural networks for crystal structures typically use the atomic positions and the atomic
species as input. Unfortunately, this information is not available when predicting new …

The discovery of new extended structures has often led to the development of new fields in
chemistry and physics. However, the numerous combinations of metals (or cations) to yield …

Fluorination is a powerful strategy for chemical and functional modification of materials
because the introduction of fluorine atoms can alter the physical, chemical and electronic …

Tuning the anionic site of catalyst supports can impact reaction pathways by creating active
sites on the support or influencing metal‐support interactions when using supported metal …

While cation order–disorder transitions have been achieved in a wide range of materials
and provide crucial effects in various physical and chemical properties, anion analogues are …

Thin films of rare-earth (RE)–oxygen–hydrogen compounds prepared by reactive magnetron
sputtering show a unique color-neutral photochromic effect at ambient conditions. While …

Although perovskite oxyhydrides (POHs) have shown promise as a support for selective
hydrogenation, it is unknown if they themselves can catalyze alkyne semi-hydrogenation …

Oxyhydrides with multi-anions (O2–and H–) are a recently developed material family and
have attracted attention as catalysts and hydride ion conductors. High-pressure and high …

When exposed to air, metallic yttrium dihydride YH 2 films turn into insulating and
transparent yttrium oxyhydride (YHO). The incorporation of oxygen causes the lattice …

Rare-earth oxyhydride REO x H3–2 x thin films prepared by air-oxidation of reactively
sputtered REH2 dihydrides show a color-neutral, reversible photochromic effect at ambient …