Interaction of graphene oxide with barium titanate in composite: XPS and DFT studies

Abstract By using X-ray photoelectron spectroscopy and density functional theory based calculations, it has been found that graphene in BaTiO3/graphene oxide composites prepared by inexpensive traditional ceramic processing behaves as an active filler. It also induces an interfacial bonding with the formation of Ti–O–C chemical bonds that lead to a reduction of the band gap from 3.4 to 2.4 eV, which is attractive for various photocatalytic applications. The pathway and energetics of hydrogen evolution reaction in acidic and alkaline media over BaTiO3/graphene oxide substrates were checked.