Curvature effect on graphene-based Co/Ni single-atom catalysts

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

“…The Gibbs free-energy for hydrogen adsorption (Δ G H ) is a major descriptor for determining the HER activity for a wide variety of photocatalysts. 26,77–79 Calculating the HER activity is crucial because a high electrocatalytic activity for the HER process is important to increase the photocatalytic efficiency. The hydrogen adsorption energy (Δ E H ) is defined as follows: 80 where E (CS/g-SiC)+H and E (CS/g-SiC) are the total energies of the CS/SiC vdWH with and without adsorbed H atoms on the surface, respectively, and E (H 2 ) is the energy of H 2 gas.…”

“…The CS/SiC vdWHs potential for photocatalytic hydrogen generation is further demonstrated by the fact that it can be used to split water in neutral The Gibbs free-energy for hydrogen adsorption (ΔG H ) is a major descriptor for determining the HER activity for a wide variety of photocatalysts. 26,[77][78][79] Calculating the HER is crucial because a high electrocatalytic activity for the HER process is important to increase the photocatalytic efficiency. The hydrogen adsorption energy (ΔE H ) is defined as follows: 80 , ∆𝐸 H = 𝐸 ( CS/g -SiC ) + 𝐻 -𝐸 ( CS/g -SiC ) -1 2 𝐸 H 2 (10) where and are the total energies of the CS/SiC vdWH with and 𝐸 ( CS/g -SiC ) + 𝐻 𝐸 ( CS/g -SiC )…”

“…The Gibbs free-energy for hydrogen adsorption (DG H ) is a major descriptor for determining the HER activity for a wide variety of photocatalysts. 26,[77][78][79] Calculating the HER activity is crucial because a high electrocatalytic activity for the HER process is important to increase the photocatalytic efficiency. The hydrogen adsorption energy (DE H ) is defined as follows: 80…”

Nanoarchitectonics tuning for Fe/N-doped C60-derived carbon electrocatalysts with enhanced ORR activity by oxygen plasma treatment on C60

“…Furthermore, it has been suggested that the curvature of carbon structures may induce skeleton distortion, resulting in a change in the adsorption energy and enhanced reactivity. 32 The inherent curved structure of the cage-like C 60 may facilitate O binding and oxidation during the oxygen plasma treatment. When converted into carbon electrocatalysts, the curvature feature of C 60 should be preserved, which allows for achieving a thinner electrochemical double layer (EDL) and a larger electric field.…”

The rational design of high-performance graphene-based single-atom electrocatalysts for the ORR using machine learning

“…7–12 To improve the electroconductivity of SACs, graphene is usually the substrate, which also has rich active sites. 13,14 Related high-performance SACs have been reported by numerous studies. 15–17 For nitrogen-doped graphene-based SACs, by changing the type and number of both central metal atoms and co-doping atoms, a large number of catalysts could be designed.…”