Extending MoS₂-based materials into the catalysis of non-acidic hydrogen evolution: challenges, progress, and perspectives

Abstract

Water splitting is regarded among the most prospective methods of generating green hydrogen. Switching electrolytes of water electrolysis from acidic to non-acidic ones will enable the use of noble-metal-free electrocatalysts and mitigate material corrosion, thus lowering the capital cost of water electrolyzers and improving their operational stability. However, increasing electrolyte pH will degrade the hydrogen evolution reaction (HER) activity because of the reduced concentration of H3O+ as reactants, making non-acidic HER sluggish. To accelerate HER, MoS2-based materials with the advantages of unique atomistic structure, low cost, and high abundance, have been considered prospective electrocatalysts to substitute for Pt in acid. Great efforts are being spent on extending MoS2-based materials into the catalysis of non-acidic HER, and their further development requires clarification of the existing challenges and current progress. However, it has not been systematically discussed yet for non-acidic HER on MoS2-based electrocatalysts. To mitigate the disparity, we systematically overview MoS2-based electrocatalysts for non-acidic HER, covering catalytic mechanisms, modulation strategies, materials development, current challenges, research progress, and perspectives. This review will contribute to the rational design of MoS2-based materials for high-performance HER in non-acidic conditions.

Formulating a heterolytic cleavage process of water on Ni3N nanosheets through single transition metal doping for ultra-efficient alkaline hydrogen evolution

“…To elucidate the impact of transition metal doping on catalyst performance at the molecular level, theoretical calculations were carried out to acquire perceptions into the local electron transfer and surface charge state on the outstanding alkaline HER for M-Ni Therefore, the adsorption of water is a significant step in the alkaline HER that directly affects whether the catalyst can be adopted in industrial applications. [36][37][38][39] As shown in Fig. 4a 4c shows the local charge distribution between adsorbed H and V-Ni 3 N, which illustrates an obvious electron accumulation around the adsorbed hydrogen atoms.…”

“…Therefore, the adsorption of water is a significant step in the alkaline HER that directly affects whether the catalyst can be adopted in industrial applications. 36–39 As shown in Fig. 4a, the adsorption free energies of water (Δ G *H 2 O ) of V-Ni 3 N, Cr-Ni 3 N, Co -Ni 3 N, Mn-Ni 3 N, Mo-Ni 3 N, W-Ni 3 N and Fe-Ni 3 N are −0.265, 0.138, 0.195, −0.646, −0.176, −0.139 and 0.202 eV, respectively.…”

Recent advances in mechanistic understanding and catalyst design for alkaline hydrogen evolution reactions

“…Notably, TMs, TM alloys, and TMXs (X = O, S, Se, N, P, C, and B) all exhibited outstanding catalytic activities, while the design principles and underlying mechanisms were different. 80 In this section, recent achievements in TM-based catalysts are showcased and classified by anionic elements.…”

Symmetry or asymmetry: which one is the platform of nitrogen vacancies for alkaline hydrogen evolution

“…Transition-metal-based materials, including single atom, 18 basic salts, 19 sulfides, 20,21 selenides, 22,23 phosphides, 24 carbides, 25 and nitrides, 26 are currently utilized to catalyze water splitting. Among these, transition metal nitrides (TMNs), such as Co 4 N and Fe 2 N, are considered a promising family of HER electrocatalysts due to their high conductivities and corrosion resistance.…”