Phosphorus doped self-grown multiphase molybdate compounds micrometer arrays for efficient HER and OER

Abstract

The development of efficient and durable non-precious metal catalysts is pivotal for advancing clean energy technologies. In this study, a phosphorus-doped cobalt-molybdenum-based composite micrometer arrays (CoP@MMoO₄, M = Ni, Fe) were synthesized via a facile hydrothermal and phosphatization strategy. Unlike conventional approaches, the designed phosphatization process not only introduces phosphorus doping but also modulates the material’s microstructure and electronic properties, significantly enhancing the binding energy of active site. The optimized micrometer arrays facilitate effective electron transfer for excellent electrocatalytic performance. Moreover, density functional theory (DFT) calculations reveal that the enhancement of intrinsic activity for micrometer arrays is attributed to the improved electrical conductivity and the strong interaction between O radical and P/Co. The optimized CoP@NiMoO₄ exhibits exceptional catalytic performance, with a low overpotential of 70.97 mV for HER and 204 mV for OER at 10 mA cm⁻², along with remarkable stability over 24 h. These findings highlight the pivotal role of phosphorus in engineering cobalt-molybdenum composites, offering a novel pathway for designing high-performance electrocatalysts for efficient HER and OER.