First principles insights into improved catalytic performance of BaTiO3- graphene nanocomposites in conjugation with experimental investigations

Abstract

The present work aims to provide first principles insights into the catalytic performance of composites based on BaTiO 3 particles decorated over reduced graphene oxide (rGO).Examination regarding the orbital contributions of valence states, conduction states, interaction surface and anchoring of perovskite over rGO have been carried out. Theoretical results thus obtained have been validated using experimental investigation. Further experiments have also been conducted to analyze the catalytic performance of composites with respect to multiple advanced oxidation processes. Charge separation has been improved due to rGO acting as macromolecular photosensitizer. Degradation of xanthene dye (Rhodamine B) and methyl orange (MO) assisted in evaluation of the catalytic performance. Acoustic irradiation provides an additional route to improve degradation by ameliorating catalytic activity (from 0.036min to 0.099minin RhB especially). Synergistic effect obtained through conjugated benefits of oxidation processes with proposed composite, played a crucial role in improving the overall efficiency. The cumulative outcome of the results indicates superior performance of BaTiO 3-rGO composites for green and sustainable water treatment applications.

Enhanced photocatalytic dye degradation and hydrogen production ability of Bi25FeO40-rGO nanocomposite and mechanism insight

“…Therefore, pure BiFeO 3 can perform only the second redox reaction of RhB degradation since it has VBM > 2.38 V and CBM > −0.16 V. Infusion of rGO influences the valence and conduction band structure of the pure BiFeO 3 and Bi 25 FeO 40 nanoparticles. Introduction of C 2p orbital of rGO causes both valence and conduction band potentials to raise upward as shown in a previous first-principle investigation on BaTiO 3 -rGO composite 75 . We propose that similar interactions may have taken place in the BiFeO 3 -rGO and Bi 25 FeO 40 -rGO nanocomposites.…”

Sonophotocatalytic degradation mechanisms of Rhodamine B dye via radicals generation by micro- and nano-particles of ZnO

“…The achieved results by sonophotocatalysis are very promising and remarkably higher than those previously reported for RhB degradation [ 36 ]. Ahmad et al [ 21 ] actually reported an increase of the sonophotocatalytic kinetic rate constant of only 4 times and 3 times, with respect to the individual photocatalytic and sonocatalytic processes, respectively, carried out with ZnO/CNTs composites.…”

Photocatalytic Application of Ag-Decorated CuS/BaTiO3 Composite Photocatalysts for Degrading RhB

“…Another intriguing method to enhance the e À /h + spatial separation is to decorate electron traps onto the semiconductor photocatalysts. [12][13][14][15][16] The most important electron traps include graphene, carbon nanofibers/nanotubes/quantum dots and noble metal nanoparticles. These nanosized carbon and noble metal materials are particularly interesting and have received much attention due to their fascinating physical properties and potential technological applications in many fields.…”