Structural Design Induced Electronic Optimization in Single‐Phase MoCoP Nanocrystal for Boosting Oxygen Reduction, Oxygen Evolution, and Hydrogen Evolution

Abstract

Structural and compositional design of multifunctional materials is critical for electrocatalysis, but their rational modulation and effective synthesis remain a challenge. Herein, a controllable one‐pot synthesis for construction of trifunctional sites and preparation of porous structures is adopted for synthesizing dispersed MoCoP sites on N, P codoped carbonized substance. This tunable synthetic strategy also endorses the exploration of the electrochemical activities of Mo (Co)‐based unitary, Mo/Co‐based dual and MoCo‐based binary metallic sites. Eventually benefiting from the structural regulation, MoCoP–NPC shows excellent oxygen reduction abilities with a half‐wave potential of 0.880 V, and outstanding oxygen evolution and hydrogen evolution performance with an overpotential of 316 mV and 91 mV, respectively. MoCoP–NPC‐based Zn‐air battery achieves excellent cycle stability for 300 h and a high open‐circuit voltage of 1.50 V. When assembled in a water‐splitting device, MoCoP–NPC reaches 10 mA cm−2 at 1.65 V. Theoretical calculations demonstrate that the Co atom in the single‐phase MoCoP has a low energy barrier for oxygen evolution reaction (OER) owing to the migration of Co 3d orbital toward the Fermi level. This work shows a simplified method for controllable preparation of prominent trifunctional catalysts.

Fe-Based Metal Organic Framework-Derived FeNiP/N-Doped Carbon Heterogeneous Core–Shell Structures for Oxygen Evolution

“…FeNiP/NC exhibits excellent OER performance and stability than most nearly reported transition metal phosphide electrocatalysts in alkaline solution (Figures S10 and S11 and Table S1). ,,,,,,− Excellent catalytic performance can be attributed to the ordered core–shell structure. N-doped porous carbon core improves the electrical conductivity, facilitates mass and charge transfer, and provides internal support to enhance the stability of the material.…”

A stable N-doped NiMoO4/NiO2 electrocatalyst for efficient oxygen evolution reaction

“…12,13 Many non-noble electrocatalysts have been shown to be active for the OER, including metal chalcogenides, 14 oxides, 15,16 nitrides, 17,18 and phosphides. 19,20…”

Ruthenium‐Induced Activation of Molybdenum‐Cobalt Phosphide for High‐Efficiency Water Splitting

“…Specifically, bimetallic phosphides with multielement composition exhibit much better catalytic performance to their corresponding monometallic counterpart due to synergistic effects between two different metal cations. [20,21] Zhu et al [22] synthesized N, P co-doped porous carbide substrate decorated with MoCoP sites as a trifunctional electrochemical catalyst, which displayed higher catalytic activity. Although the improved electronic structure of bimetallic phosphides could facilitate the catalytic reaction compared to monometallic phosphides, their poor conductivity and inadequate active sites hinder further improvement of the catalytic performance.…”