Encapsulations of La@C82 and La2@C80 inside single-walled boron nitride nanotubes

Possibility of encapsulations of metallofullerenes inside single-walled boron nitride nanotubes (BNNTs) is studied by using first-principles calculations. We find that both La@C82 and La2@C80 can be exothermically encapsulated inside the (17, 0) and (14, 7) BNNTs. The minimum diameters of exothermically encapsulating both La@C82 and La2@C80 inside BNNTs are predicated to be about 13.4 Å.