Journal ArticleDOI
Band alignment of rutile and anatase TiO2
David O. Scanlon,Charles W. Dunnill,John Buckeridge,Stephen A. Shevlin,Andrew J. Logsdail,Scott M. Woodley,C. Richard A. Catlow,Michael Powell,Robert G. Palgrave,Ivan P. Parkin,Graeme W. Watson,Thomas W. Keal,Paul Sherwood,Aron Walsh,Alexey A. Sokol +14 more
TLDR
It is demonstrated, through a combination of state-of-the-art materials simulation techniques and X-ray photoemission experiments, that a type-II, staggered, band alignment of ~ 0.4 eV exists between anatase and rutile with anatase possessing the higher electron affinity, or work function.Abstract:
The most widely used oxide for photocatalytic applications owing to its low cost and high activity is TiO2. The discovery of the photolysis of water on the surface of TiO2 in 19721 launched four decades of intensive research into the underlying chemical and physical processes involved2, 3, 4, 5. Despite much collected evidence, a thoroughly convincing explanation of why mixed-phase samples of anatase and rutile outperform the individual polymorphs has remained elusive6. One long-standing controversy is the energetic alignment of the band edges of the rutile and anatase polymorphs of TiO2 (ref. 7). We demonstrate, through a combination of state-of-the-art materials simulation techniques and X-ray photoemission experiments, that a type-II, staggered, band alignment of ~ 0.4 eV exists between anatase and rutile with anatase possessing the higher electron affinity, or work function. Our results help to explain the robust separation of photoexcited charge carriers between the two phases and highlight a route to improved photocatalysts.read more
Citations
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Journal ArticleDOI
Fabrication of A/R-TiO 2 composite for enhanced photoelectrochemical performance: Solar hydrogen generation and dye degradation
TL;DR: Anatase/rutile TiO 2 nanorods composites were prepared by a facile hydrothermal method followed by dip coating method using titanium isopropoxide in acetic acid and ethanol solvent as mentioned in this paper.
Journal ArticleDOI
Morphology-controllable polycrystalline TiO2 nanorod arrays for efficient charge collection in dye-sensitized solar cells
TL;DR: In this article, rutile TiO 2 nanorod arrays (NRAs) are prepared on TiO2 seeding/FTO substrates by a hydrothermal process and the synthetic recipe is systematically studied to probe the morphology-synthesis interactions.
Journal ArticleDOI
Binary-phase TiO2 modified Bi2MoO6 crystal for effective removal of antibiotics under visible light illumination
TL;DR: In this article, a series of binary-phase TiO2 modified Bi2MoO6 nanocrystals have been prepared via a solvothermal-calcination process.
Journal ArticleDOI
Structural, morphological, and optical properties of TiO2 thin films grown by atomic layer deposition on fluorine doped tin oxide conductive glass
W. Chiappim,W. Chiappim,G. E. Testoni,G. E. Testoni,R. S. Moraes,Rodrigo Sávio Pessoa,Rodrigo Sávio Pessoa,J.C. Sagás,F.D. Origo,Lucia Vieira,Lucia Vieira,Homero Santiago Maciel,Homero Santiago Maciel +12 more
TL;DR: In this article, a thorough investigation of the TiO 2 /FTO film properties was carried on, varying the process temperature in the range (150-400)°C and keeping fixed at 2000 the number of reaction cycles.
Journal ArticleDOI
Oxygen vacancies and phase tuning of self-supported black TiO2-X nanotube arrays for enhanced sodium storage
Jun Chen,Yanlong Fu,Fang Sun,Zheng-Guang Hu,Zheng-Guang Hu,Xing Wang,Ting Zhang,Fengshou Zhang,Xiaoling Wu,Haisheng Chen,Guoan Cheng,Ruiting Zheng +11 more
TL;DR: In this paper, the phase and defect synergetic evolution regularities of self-supported TiO2-X nanotube arrays (TNTAs) with different annealing processes are clarified.
References
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Journal ArticleDOI
Electrochemical Photolysis of Water at a Semiconductor Electrode
Akira Fujishima,Kenichi Honda +1 more
TL;DR: Water photolysis is investigated by exploiting the fact that water is transparent to visible light and cannot be decomposed directly, but only by radiation with wavelengths shorter than 190 nm.
Journal ArticleDOI
Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium.
Georg Kresse,Jürgen Hafner +1 more
TL;DR: The simulation allows us to study in detail the changes in the structure-property relationship through the metal-semiconductor transition, and a detailed analysis of the local structural properties and their changes induced by an annealing process is reported.
Journal Article
Photoelectrochemical cells : Materials for clean energy
TL;DR: In this paper, the authors look into the historical background, and present status and development prospects for photoelectrochemical cells, based on nanocrystalline materials and conducting polymer films.
Journal ArticleDOI
Influence of the exchange screening parameter on the performance of screened hybrid functionals.
TL;DR: This work reexamines the effect of the exchange screening parameter omega on the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened hybrid functional and recommends a new version of HSE with the screened parameter omega=0.11 bohr(-1) for further use.
Journal ArticleDOI
Efficient photochemical water splitting by a chemically modified n-TiO2.
TL;DR: A chemically modified n-type TiO2 is synthesized by controlled combustion of Ti metal in a natural gas flame and performs water splitting with a total conversion efficiency of 11% and a maximum photoconversion efficiency of 8.35% when illuminated at 40 milliwatts per square centimeter.
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