Electronic Structure of Doped Boron Nitride Nanotubes as Potential Catalysts of Photochemical Water Splitting

Semiconductors with band gap widths of 1.5–2.8 eV are used as catalysts for hydrogen production by photochemical water splitting. The electronic states of BN nanotubes doped with Group III–V nontransition elements have been studied by quantum-chemical methods. It has been found that nanotubes with a small excess of boron or with carbon atoms substituted for some boron atoms can be used as candidates for creation of such catalysts since they have optical absorption in this spectral range.