Hydrogen-related defects play crucial roles in determining physical properties of their host oxides. In this work, we report our systematic experimental and theoretical (based on density functional theory) studies of the defect states formed in hydrogenated-rutile TiO2 in gaseous H2 and atomic H. In gas-hydrogenated TiO2, the incorporated hydrogen tends to occupy the oxygen vacancy site and neg...

Water-splitting dye-sensitized photoelectrochemical cells (WSDSPECs) utilize high surface area TiO2 electrodes functionalized with light absorbing sensitizers and water oxidation catalysts. Because water splitting requires vectorial electron transfer from the catalyst to the sensitizer to the TiO2 surface, attaching both sensitizer and catalyst to TiO2 in the correct sequence and stabilizing th...

Enhancing the charge transfer process in nanocrystal sensitized solar cells is vital for the improvement of their performance. In this work we show a means of increasing photo-induced ultrafast charge transfer in successive ionic layer adsorption and reaction (SILAR) CdS-TiO2 nanocrystal heterojunctions using pulsed laser sintering of TiO2 nanocrystals. The enhanced charge transfer was attribut...

2D TiO2 thin films and 3D flower-like TiO2-based nanostructures, also decorated with SnO2, were prepared by chemical and thermal oxidation of Ti substrates, respectively. The crystal structure, morphology and gas sensing properties of the TiO2-based sensing materials were investigated. 2D TiO2 thin films crystallized mainly in the form of rutile, while the flower-like 3D nanostructures as anata...

Methylammonium lead iodide perovskite, CH3NH3PbI3, has attracted particular attention due to its fast increase in efficiency in dye sensitization TiO2 solid-state solar cells. We performed first-principles calculations to investigate several different types of CH3NH3PbI3/TiO2 interfaces. The interfacial structures between the different terminated CH3NH3PbI3 and phase TiO2 are thoroughly explore...

Simple and low temperature hydrothermal process is employed to synthesize exotic nanostructures of TiO2. The nanostructures are obtained merely by changing the nature of the precursors and processing parameters. The chloride and isopropoxide salts of titanium are used to grow high quality thin films comprising anatase nanocorals, rutile nanorods and rutile nanoflowers respectively. A novel rout...

We report efficient water photolysis using a cross-linked TiO2 nanowire anode containing mixed anatase and rutile phases. Under simulated AM 1.5 G illumination, the peak solar energy conversion efficiency is measured to be 1.05%, a new record for TiO2 photoanodes. A photocurrent density as high as 2.6 mA cm 2 is observed when the film thickness is 22 mm. These observations indicate that the hig...