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Robust Sandwiched B/TM/B Structures by Metal Intercalating into Bilayer Borophene Leading to Excellent Hydrogen Evolution Reaction

机译:Robust Sandwiched B/TM/B Structures by Metal Intercalating into Bilayer Borophene Leading to Excellent Hydrogen Evolution Reaction

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摘要

Bilayer borophene, very recently synthesized on Ag and Cu, possesses anextremely flat large surface and excellent conductivity. The van der Waals gapof bilayer borophene can be intercalated by metal atoms, tailoring theproperties of bilayer borophene. Herein, sandwiched B/TM/B (transitionmetal, TM = Co, Ni, Cu, Pd) is proposed as a new 2D formation with bothenergetic, structural, and thermal stability by TM atoms intercalated intobilayer borophene. In addition, it is a novel platform for the electrocatalytichydrogen evolution reaction (HER). The intercalation metal atom serves as asingle-atomic catalyst. The TM is protected by outside boron layers from beingcorroded by acidic/alkaline solutions. B/Cu_x/B, B/Pd_x/B, and B/Al_x/B withdifferent metal coverage exhibit defect-independent extremely low HER freeenergy in the range of approximately ?0.162 to 0.179, ?0.134 to 0.183, and?0.082 to 0.086 eV which are comparable to the noble metal Pt. Combiningexcellent conduction, high structural and thermal stability, low resistance tointercalated behavior, an effortless water splitting process, excellentdefect-independent catalytic performance, cheapness and abundance of rawmaterials, and corrosion resistance, 2D sandwiched B/TM/B (TM = Co, Ni,Cu, Pd) is believed to be promising for electrocatalysis applications.

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