A DFT study for hydrogen storage application on pristine magnesium dicarbide (MgC

Summary: Scientists are looking for safe and easy ways to store hydrogen fuel for clean energy. In this study, they used powerful computers to test a material called magnesium dicarbide (MgC2). They wanted to see if it can hold onto hydrogen gas well. Computer models help researchers figure out if this material could be a good "sponge" for hydrogen before they even try to make it in a real laboratory!