High‐Current‐Density HER Electrocatalysts: Graphene‐like Boron Layer and Tungsten as Key Ingredients in Metal Diborides

, especially at high current density in acidic electrolytes. DFT calculations showed that the graphene-like boron layer is the most active among the studied surfaces and that tungsten promotes hydrogen generation by facilitating bonding between hydrogen atoms in contrast to molybdenum. These results should pave the way for high-current-density, abundant, and inexpensive bulk and nanoscale HER catalysts by applying structure-activity relationships.