Metal–Organic‐Framework‐Derived Co2P Nanoparticle/Multi‐Doped Porous Carbon as a Trifunctional Electrocatalyst

Abstract Developing efficient and low‐cost replacements for precious metals as electrocatalysts active in electrochemical reactions—the oxygen evolution reaction (OER), hydrogen evolution reaction (HER), and oxygen reduction reaction (ORR)—is a top priority in renewable energy technology. In this work a highly active and very stable trifunctional electrocatalyst composed of Co 2 P embedded in Co, N, and P multi‐doped carbon has been synthesized using zeolitic imidazolate frameworks as precursors. The synergistic effects between Co 2 P and the multi‐heteroatom‐doped carbon substrates afford materials having electrocatalytic activities for HER, OER, and ORR, which are comparable—or even superior to—those of commercial RuO 2 or Pt/C catalysts. Density functional theory calculations show that Co 2 P has a higher density of states at the Fermi level than Co n P (0 < n < 2), which promotes electron transfer and intermediates adsorption in the catalytic process. Zinc–air batteries and water splitting devices assembled using the materials as electrode electrocatalysts show good performance and outstanding stability. This work represents a breakthrough in improving the catalytic performance of non‐precious metal electrocatalysts for OER, HER, and ORR, and opens new avenues for clean energy generation.