Metal ion intercalation into van der Waals gaps of layered materials is vital for large-scale electrochemical energy storage. Transition-metal sulfides, ABS (where A and B represent Zr, Hf, and Ti as monolayers as anodes), are examined as lithium and sodium ion storage. Our study reveals that these monolayers offer exceptional performance for ion storage.
View Article and Find Full Text PDFInterest in single-atom catalysts (SACs) has surged due to their potential to mitigate greenhouse NO gas from the environment. In this study, we explore the potential of NO reduction using porous 3D phosphorus graphdiyne decorated with an Al atom (3D-Al/PGDYN) through density functional theory. Results confirm the energetic stability of Al decorations on 3D-PGDYN and indicate that the Al atom plays an active role in catalysis.
View Article and Find Full Text PDF