Defect induced electrocatalytic hydrogen properties of pentagonal PdX₂ (X = S, Se)

Abstract

The HER electrocatalytic activity of pentagonal PdX2 (X = S, Se) can significantly be improved by S/Se and Pd vacancies and can be further regulated by vacancy concentration.

Rational design of 2D/2D CS/SiC van der Waals type-II heterojunctions: a visible-light-driven photocatalyst for hydrogen production

“…For the hydrogen adsorption study, Δ E ZPE − T Δ S H = 0.24 eV is taken from an earlier report. 82 Hence, Δ E ZPE − T Δ S H = 0.24 eV was used in the present study. Catalysts with a high +Δ G H* value result in weak hydrogen adsorption, which further reduces the HER activity.…”

Self-Assembled p–n Homojunction in SnS2 Nanosheets for Electrocatalytic Hydrogen Evolution: The Role of Sulfur Defects

“…A greater negative E H, ads value indicates stronger H binding to the site . The entropy of the H atom (Δ S H ) is very small, which is half the entropy of H 2 in the gas phase (Δ S H = −1/2 S H2 ), i.e., Δ S H ≈ 0.0006 eV . All the sites for H adsorption are selected on the edges of SnS 2 , which are (1) S, (2) Sn, (3) V S , and (4) V Sn (Figure a).…”

“…64 The entropy of the H atom (ΔS H ) is very small, which is half the entropy of H 2 in the gas phase (ΔS H = −1/2S H2 ), i.e., ΔS H ≈ 0.0006 eV. 65 All the sites for H adsorption are selected on the edges of SnS 2 , which are (1) S, (2) Sn, (3) V S , and (4) V Sn (Figure 6a). Table S6 displays the computed values for ΔE H , ΔE ZPE , TΔS H , and ΔG H for H adsorption on SnS 2 at various sites.…”

Investigation of seawater electrolyte on hydrogen evolution reaction from the perspective of kinetics and energy consumption using an Ni-based electrocatalyst supported on carbon nanotubes

“…Furthermore, the exchange current density ( j1, mA cm À2 ) is obtained by extracting the current curve at Z E 0 mV, and has been sometimes reported as its theoretical connection to the hydrogen adsorption free energy (DG H ). 9,10 To some extent, j1 is more appropriate to express the initial activity. In particular, j1 can provide a more quantitative activity value and is more suitable for evaluation in complex electrolyte systems.…”