we have performed density functional theory investigations on the adsorption properties of ammonia molecule on the undoped and n-doped tio2 anatase nanoparticles. we have geometrically optimized the constructed undoped and n-doped nanoparticles in order to fully understand the adsorption behaviors of ammonia molecule. for tio2 anatase nanoparticles, the binding site is preferentially located on...

The interaction strength of Au nanoparticles with pristine and nitrogen doped TiO2 nanowire surfaces was analysed using density functional theory and their significance in enhancing the solar driven photoelectrocatalytic properties was elucidated. In this article, we prepared 4-dimethylaminopyridine capped Au nanoparticle decorated TiO2 nanowire systems. The density functional theory calculatio...

S-doped and bare mesoporous TiO2 were prepared using titanium tetraisopropoxide and thiocarbamide as raw materials. Prepared materials were characterized by means of fourier transform infrared spectroscopy FT-IR, thermogravimetry-differential scanning calorimetry (TG-DSC), X-ray diffraction (XRD), UV–Vis absorption spectroscopy, Brunauer–Emmett–Teller (BET) specific surface area and Barrett–Joy...

TiO2-SiO2 composites were synthesized using cetyl trimethyl ammonium bromide (CTAB) as the structure directing template. Self-assembly hexadecyltrimethyl- ammonium bromide TiO2-SiO2/(CTAB) were soaked into silver nitrate (AgNO3) aqueous solution. The Ag-TiO2-SiO2(Ag-TS) composite were prepared via a precipitation of AgBr in soaking process and its decomposition at calcination stage. Structural ...

This article explains the mechanism of the metal/oxide core-shell Ag/TiO2 and Au/TiO2 nanoparticle formation via one-step ultrasonic spray pyrolysis (USP) by establishing a new model. The general knowledge on the standard “droplet-to-particle” (DTP) mechanism, nucleation, and growth processes of noble metals, as well as physical and chemical properties of core and shell materials and experiment...

A facile method was developed to endow cotton fabric with remarkable antibacterial and ultraviolet (UV)-protective properties. The flower-like TiO2 micro-nanoparticles were first deposited onto cotton fabric surface via hydrothermal deposition method. Then, the Ag NPs with a high deposition density were evenly formed onto TiO2@cotton surface by sodium hydroxide solution pretreatment and followe...

by means of first principles calculations we show that both rutile and anatase phases of bulk tio2 doped by s, se or pb can display substantial decreasing in the band gap (up to 50%), while doping by zr does not sizably affect the band-gap value. moreover, the absorption edge is shifted (up to 1 ev) to the lower energy range in the case of tio2 doped by s or pb that opens a way to enhancing of ...

Graphene oxide-decorated silver nanoparticles growing on titania nanotube array (GO/Ag/TiO2 NTA) were designed as active Surface-enhanced Raman scattering (SERS) sensor substrates for sensitive determination of the organic compound bisphenol A. The theoretical simulation calculation and experimental measurements have been adopted to investigate electronic sensing properties GO/Ag/TiO2 NTA SERS ...