Insights into the Effect of Sulfur Incorporation into Tungsten Diphosphide for Improved Hydrogen Evolution Reaction

Abstract

Exploring the highly active and stable nonprecious metal electrocatalysts is particularly important for the advancement of water electrolysis, whereas it remains a challenge to efficiently improve the intrinsic electrocatalytic activity. Herein, we reasonably constructed a self-supporting nanosheet array material with sulfur incorporated into WP2. Because of the tunability of electronic configuration and the formation of partial metal phase sulfides, the optimized catalyst exhibits a low overpotential of 115 mV at 10 mA cm–2, along with superb durability over 24 h in acidic media. Furthermore, theoretical calculations reveal that sulfur substitution effectively manipulates the local electronic configuration of WP2, which reduces the interaction between the catalyst surface and hydrogen atoms, thus improving the intrinsic activity of the hydrogen evolution reaction. This work provides valuable insight into the rational fabrication of highly efficient flexible electrode materials based on resourceful electrocatalysts for electrochemical water splitting.

Self-Supporting Superaerophobic Electrode with Ni–Mo Anchoring on Cu Nanosheet Arrays Derived from Copper Foam for Hydrogen Evolution

“…For Mo/Cu, the calculated Δ G H* value is 0.45 eV, which is too weak for hydrogen adsorption. In contrast, NiMo/Cu has a Δ G H* very close to 0, which is 0.07 eV, and has the lowest reaction energy barrier . In addition, we further calculated the total density of states (TDOS) for Ni/Cu, Mo/Cu, and NiMo/Cu, with the results illustrated in Figure c–e.…”

“…In contrast, NiMo/Cu has a ΔG H* very close to 0, which is 0.07 eV, and has the lowest reaction energy barrier. 34 In addition, we further calculated the total density of states (TDOS) for Ni/Cu, Mo/Cu, and NiMo/Cu, with the results illustrated in Figure 7c−e. It can be deduced that the TDOSs also prove that the optimal HER activity was possessed by NiMo/Cu, since the d-band center of Mo/Cu (−1.721 V) is the farthest from the Fermi energy level with the adsorption of H* being too weak and the d-band center of Ni/Cu (−1.422 V) is the nearest from the Fermi energy level with adsorption of H* being too strong.…”

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

“…To date, transition metal-based OER catalysts have been extensively applied, including transition metal hydroxides, sulfides, phosphides, and transition metal/nitrogen-doped carbon materials . Past research studies have shown that FeNi oxyhydroxide is located at the top of the Sabatier-type volcano plots, and FeNi LDH tends to be among the most active OER electrocatalysts due to the interaction between Fe and Ni bimetals .…”

Self-supported electrocatalysts for the hydrogen evolution reaction

“…20 Since water electrolysis was first studied by Troostwijk and Diemann in 1789, it has been extensively investigated by researchers around the world. 21–23 Alternatively, electrolyzing water is a desirable method to yield H 2 with high purity and efficiency. 24–26 Accordingly, efficient and stable electrocatalysts are urgently developed and used for the HER.…”