A DFT study of hBN compared with graphite in forming alkali metal intercalation compounds

From the calculated results by B3LYP method of Density Function Theory (DFT), the difference in electron affinity between hexagonal boron nitride (hBN) and graphite, and the difference in electronic structures of their alkali metal intercalation compounds, show that it is difficult for hBN to be intercalated with metals.