Regulation of electronic structure in medium-entropy metal sulfides nanoparticles as highly efficient bifunctional electrocatalysts for zinc-air battery

Excellent sodium ion conductivity and air stability of manganese-substituted Na3SbS4 solid electrolytes

“…Mn doping in sulfides has been reported to induce charge transfer and local electronic structure rearrangement, further contributing to the stabilization of the Mn 2+ valence state. 32 Additionally, the enhanced binding energies of Sb and S are 538.98 eV and 160.88 eV (Fig. 2(c) and (d)), indicating an augmented electron density surrounding Sb.…”

Advanced design strategies for Fe-based metal–organic framework-derived electrocatalysts toward high-performance Zn–air batteries

“…Integrating metal ions with good compatibility into the MOF structure can enable different metal centers to have different functions without changing the original topological structure. 149–151 Farahani et al 152 used the electrodeposition method to orderly grow three layers of the Fe–Co–Ni MOF on a nickel foam substrate (Fig. 8(i) and (j)).…”

Two Birds with One Stone: Contemporaneously Enhancing OER Catalytic Activity and Stability for Dual‐Phase Medium‐Entropy Metal Sulfides

“…In theory, the moderate adsorption energy of OER catalysts for * O intermediates has been shown to be highly sensitive to their reaction kinetics and thermodynamic stability, as demonstrated by recent research. [50,62] To enhance our comprehension of the synergistic effect of the medium-entropy system on adsorption energies (ΔE *O ), the charge transfer of the * O intermediates adsorbed at the active sites was described by charge density difference, as displayed in Figure 5c. It can be found that the Ni atom accumulates abundant electrons (yellow iso-surface) around the adsorbed * O intermediates in the charge density difference map of (FeCoNiMn 2 )S 2 dp-MEMS, indicating rapid and efficient electron transfer can obviously boost the interaction between cationic center and OER intermediates.…”

“…Likewise, to gain deeper insights into the electronic structures of (FeCoNiMn 2 )S 2 dp-MEMS, the PDOS of 3d orbital in each metal component (i.e., Mn, Fe, Co and Ni) were calculated, as mentioned in Figure 5e. The d-band center of Mn 3d is obtained according to the relevant formula, [62] as presented in Figure S22 (Supporting Information). It is noteworthy that the d-band center of the Mn atom is in closer proximity to the Fermi level, thereby enhancing its ability to stabilize * O intermediates and optimize the binding energies of reaction intermediates.…”