A fitted linear relation between Delta G_H* and (pz band center minus bandgap plus X-atom first ionization energy) describes HER activity of non-metal sites in 144 MX2 compounds with R2=0.90.
Konsolakis, Catalysts 6 (2016)
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Universal band center model for the HER activity of non-metal site
A fitted linear relation between Delta G_H* and (pz band center minus bandgap plus X-atom first ionization energy) describes HER activity of non-metal sites in 144 MX2 compounds with R2=0.90.