TiO2, MoS2, and TiO2/MoS2 Heterostructures for Use in Organic Dyes Degradation

摘要

abstract_textpAfter a first-principles calculation, the calculated energy gaps of TiO2, MoS2 and TiO2/MoS2 were found to be 2.35eV, 1.68eV and 1.95eV, respectively. The conduction-band bottom of anatase TiO2 was determined by the electronic distribution of the Ti (d) orbit, and the valence-band top of anatase TiO2 was determined by the electronic distribution of the O (p) orbit. The conduction-band bottom of the MoS2 was determined by the electronic distribution of the Mo (d) orbit, and the valence-band top of MoS2 was determined by a hybridization of S (p) orbit and Mo (d) orbit. The conduction-band bottom of TiO2/MoS2 was determined by a hybridization of the Mo (d) orbit, the Ti (d) orbit and the S (p) orbit, and the valence-band top of TiO2/MoS2 was determined by a hybridization of the S (p) orbit, the O (p) orbit and the Mo (d) orbit. The MoS2 nanoflowers, MoS2 nanorods and the TiO2/MoS2 heterostructures were synthesised through a simple hydrothermal procedure. Photocatalytic degradation experiments demonstrated photodegradation of the TiO2/MoS2 heterostructures was 99.62 for rhodamine B, 96.42 for methylene blue and 87.45 for methyl orange./p/abstract_text