A deep understanding of defects is essential for the optimization of materials for solar energy
conversion. This is particularly true for metal oxide photo (electro) catalysts, which typically …

Abstract The Computational 2D Materials Database (C2DB) is a highly curated open
database organising a wealth of computed properties for more than 4000 atomically thin two …

The water-splitting reaction using photocatalyst particles is a promising route for solar fuel
production,,–. Photo-induced charge transfer from a photocatalyst to catalytic surface sites is …

Quantum technology has grown out of quantum information theory and now provides a
valuable tool that researchers from numerous fields can add to their toolbox of research …

All-solid-state batteries (ASSBs) with solid-state electrolytes and lithium-metal anodes have
been regarded as a promising battery technology to alleviate range anxiety and address …

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 …