fig3

Exploring topological materials for hydrogen evolution reaction: insights from density functional theory

Figure 3. Adsorption energies of the most stable adsorption configurations of hydrogen atoms on different topological materials. The points in between the red dotted lines show those with Eads of hydrogen within the -0.27 ± 0.1 eV. As reported in the literature, the adsorption energies close to -0.27 eV typically balance the hydrogen binding strength required for optimal HER activity[31]. HER: Hydrogen evolution reaction.

Energy Materials
ISSN 2770-5900 (Online)
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