TiO2–anthraquinone hybrids: from quantum-chemical design to functional materials

摘要: A series of materials based on titanium dioxide nanoparticles and anthraquinone dyes have been modelled using the quantum mechanical minimalistic model. Based computational results some spectral photoelectrochemical properties these predicted. Experimental studies indicate that quantum-chemical predictions are correct. New exhibit interesting switching moderate photosensitization towards visible light. Furthermore, excited state dye–semiconductor hybrids diverse photocatalytic properties, including activation molecular oxygen, can be