Activating Hydrogen Evolution Reaction on Carbon Nanotube Via Aryl Functionalisation: the Role of Hybrid Sp2–sp3 Interface and Curvature
Nanomaterials(2023)
关键词
aryl-L (L = Br,CCH,Cl,CO2CH3,NO2,t-butyl),hydrogen evolution reaction,sp2-sp3 hybrid interface,hydrogen-binding Gibbs free energy,electrocatalyst,density functional theory
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