Synergistic improvement of pH-universal hydrogen evolution through B, N dual-doped Mo2C

The quest for a cost-effective, high-performance catalyst for hydrogen production from electrolyzed water across a broad pH range holds immense importance. B, N co-doped Mo2C was first synthesized via microwave plasma chemical vapor deposition (MPCVD) for efficient hydrogen production from electrolyzed water. The B, N-Mo2C catalyst demonstrates a requirement of 81 mV in 1.0 M KOH to achieve a current density of 10 mA cm−2. Density functional theory (DFT) calculations revealed that B, N co-doping optimizes the charge transfer between H* and Mo2C, diminishes the excessive hydrogen binding energy of Mo2C, and supports effective and stable hydrogen evolution reaction (HER) conduction in diverse settings. This doping strategy offers a systematic design approach for designing highly active noble-metal-free HER catalysts.