fig7

Contribution of metal-hydride species on the catalysts to catalytic performances

Figure 7. (A) Structures obtained from DFT of intermediates for Au22H3 in electrocatalytic Reduction of CO2 to CO; (B) Free energy change for Au11 and Au22H3 in CO2RR. Reproduced from Ref[68]. Copyright (2022), with permission from American Chemical Society; Free energy change for Au7H5 (C) and Au8 (D) in CO2RR and HER. Reproduced from Ref[69]. Copyright (2023), with permission from John Wiley and Sons. DFT: Density functional theory; HER: hydrogen evolution reaction.

Chemical Synthesis
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