Encapsulating Co2P@C Core–Shell Nanoparticles in a Porous Carbon Sandwich as Dual‐Doped Electrocatalyst for Hydrogen Evolution

• Published in: ChemSusChem Vol. 11; no. 2; pp. 376 - 388
• Main Authors: Yang, Yuanyuan, Liang, Xiongyi, Li, Feng, Li, Shuwen, Li, Xinzhe, Ng, Siu‐Pang, Wu, Chi‐Man Lawrence, Li, Rong
• Format: Journal Article
• Language: English
• Published: Weinheim Wiley Subscription Services, Inc 23.01.2018
• Subjects: Atomic properties; Carbon; Carbonization; Catalysis; Core-shell particles; core–shell structure; density functional theory; dicobalt phosphide; Dopants; Electron transfer; Free energy; hydrogen evolution reaction; Hydrogen evolution reactions; Metals; Nanoparticles; porous carbon; Pyrolysis; Sandwich structures; Substrates; Synergistic effect
• ISSN: 1864-5631; 1864-564X
• DOI: 10.1002/cssc.201701705

A highly efficient and pH‐universal hydrogen evolution reaction (HER) electrocatalyst with a sandwich‐architecture constructed using zero‐dimensional N‐ and P‐dual‐doped core–shell Co2P@C nanoparticles embedded into a 3 D porous carbon sandwich (Co2P@N,P‐C/CG) was synthesized through a facile two‐step hydrothermal carbonization and pyrolysis method. The interfacial electron transfer rate and the number of active sites increased owing to the synergistic effect between the N,P‐dual‐doped Co2P@C core–shell and sandwich‐nanostructured substrates. The presence of a high surface area and large pore sizes improved the mass‐transfer dynamics. This nanohybrid showed remarkable electrocatalytic activity toward the HER in a wide pH range with good stability. The computational study and experiments revealed that the carbon atoms close to the N and P dopants on the shell of Co2P@N,P‐C were effective active sites for HER catalysis and that both Co2P and the N,P dopants gave rise to an optimized binding free energy of H on the active sites. N, P, and Co! A highly efficient hydrogen evolution reaction electrocatalyst constructed from N and P dual‐doped core–shell Co2P@C nanoparticles embedded into a 3 D porous carbon sandwich (Co2P@N,P‐C/CG) is synthesized using a facile two‐step hydrothermal carbonization and pyrolysis method. This nanohybrid showed remarkable electrocatalytic activity toward the HER in a wide pH range, with good stability.