Metal-Boron Nanotubes
Quandt, Alexander · Liu, Amy Y. · Boustani, Ihsan
Original · EN
Nanotubular materials inspired by crystalline diborides such as AlB₂ are proposed. The atomic structure, in particular the basic chemical question of where to put Al atoms in order to stabilize nanotubular Al-B systems, is investigated using density-functional calculations for prototype systems. The optimized tubular prototypes are found to be competitive in energy with their bulk crystalline counterparts. All of the tubular Al-B systems investigated are calculated to be metallic.
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