Band gap tuning of lead-substituted BaSnO3 for visible light photocatalysis

Abstract

The Pb substitution effect was investigated experimentally and theoretically on the crystal structure of BaSnO3 and on the photo-oxidation activity of H2O. The chemically doped Pb in BaSnO3 induced a concentration-dependent redshift of the experimental band gap (BG). The BaPb0.8Sn0.2O3 system produced 32μmol∕h of O2 under λ⩾420nm photons, but no O2 for BaSnO3. The DFT calculations of BaPbxSn1−xO3 (x=0,0.5,1) by using generalized approximation, implying the BG alteration and the photocatalytic activity of BaPbxSn1−xO3, are due to the induced Pb 6s orbital in the BG of BaSnO3. Thus Pb modified the insulating nature of BaSnO3 to semiconducting and semimetallic.