Dual-metallic single Ru and Ni atoms decoration of MoS2 for high-efficiency hydrogen production

The Effect of the 3D Nanoarchitecture and Ni‐Promotion on the Hydrogen Evolution Reaction in MoS2/Reduced GO Aerogel Hybrid Microspheres Produced by a Simple One‐Pot Electrospraying Procedure

“…DFT calculations suggest that water is adsorbed either on the nickel single atom or nickel oxide aggregates and then it is electrochemically dissociated forming a hydroxide stabilized on nickel and a H adatom on MoS 2 . [ 53,55,65,69 ] Microscopy, diffraction and spectroscopic data indicate that bifunctional NiO x H y /MoS 2 interfaces are extensively present in our materials.…”

“…The nickel however has also a more direct role: in the form of single atom adsorbed on the surface, it is a good catalyst for the HER since it modifies the electronic properties of the basal plane, determining a more thermoneutral hydrogen adsorption energy compared to pure MoS 2 [55,69,72] On the other hand, nickel species in the form of oxysulfides or small oxidized clusters can establish a bifunctional effect. [53,55,65,69] where the oxofilic NiO x species facilitate the electrochemical water dissociation providing a suitable adsorption site for hydroxyls intermediates, [77] whereas the surrounding MoS x species can stabilize the resulting H atom and proceeds through the further steps of the HER.…”

“…A large body of literature, as well as our own EIS data, indicate that the increase of the catalytic activity can be connected to enhanced electron transfer properties induced by the presence of Ni dopants as well as by the convenient modulation of the hydrogen adsorption energy, which is considered the best descriptor for the HER activity. In this regard DFT calculations suggest a more thermoneutral value of the hydrogen adsorption energy on Ni doped compared to pristine MoS 2 [55,69] or that the presence of Ni atoms can activate adjacent sulfur vacancies [72] or modulate locally the charge of the basal plane [32] favoring the HER.…”

Synergistically enhanced single-atomic site catalysts for clean energy conversion

“…Additionally, Lei et al fabricated a dimetallic single-atom catalyst in which monoatomic Ru and Ni co-modify MoS 2 (Ru/Ni-MoS 2 ). 84 The EXAFS tting demonstrates that the coordination numbers and bond-lengths of Ni atoms in Ni-MoS 2 are nearly identical to Mo in MoS 2 (Fig. 10f), which proves that Ni atoms substituted Mo in the MoS 2 lattice by isomorphous substitution.…”

“…32 Lei et al fabricated a dimetallic single-atom catalyst where monoatomic Ru and Ni co-modify MoS 2 (Ru/Ni-MoS 2 ). 84 From the HAADF-STEM image (Fig. 9f), we can see clearly that the single Ni atoms occupy the positions of the Mo atoms in the MoS 2 plane.…”