Supplementary material for Bonded β12-borophene/hybrid honeycomb-kagome silicene heterostructure: A high-capacity anode with robust structural stability for Na-ion batteries

See the supplementary material for details of the DOS, BAND for β12-B and hhk-Si. Adsorption energy of β12-B/hhk-Si for isolated lithium and sodium compared to the cohesive energy of bulk lithium and sodium. ELF maps of Na3B10Si4, Na6B10Si4, Na9B10Si4, Na12B10Si4, and Na15B10Si4. AIMD simulations of adsorption intermediate states at the temperature of 300 K. Top and front view of Li7B10Si4 structure after AIMD simulation. Top and side views of PF6- on β12-B/hhk-Si heterostructure surface.