DFT calculations trace proton pathways and energy barriers across g-C3N4/TiO2-B(001) interfaces, reporting a 1.103 eV (pristine) and 0.999 eV (Li-F doped) surface-to-interface barrier that is called rate-determining yet not rate-inhibiting.
Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al (111)
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Mechanistic Insights into Water-Splitting, Proton Migration, and Hydrogen Evolution Reaction in g-C3N4/TiO2-B and Li-F co-doped Heterostructures
DFT calculations trace proton pathways and energy barriers across g-C3N4/TiO2-B(001) interfaces, reporting a 1.103 eV (pristine) and 0.999 eV (Li-F doped) surface-to-interface barrier that is called rate-determining yet not rate-inhibiting.