Two-dimensional (2D) materials show great promise for photocatalysis, a key technology for sustainable energy solutions like water splitting. However, optimizing their performance requires precise ...

The joint research team from KIER and UNIST successfully developed the design principles and toolkit 'SolidXCell' for solid-state batteries A Korean research team has presented the first universal ...

First-principles studies employ quantum mechanical methods, most notably density functional theory (DFT), to accurately predict the atomic-scale interactions that govern bonding, mechanical stability, ...