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
Recent Progress in Photocatalytic Antibacterial
TL;DR: The World Health Organization (WHO) has confirmed that superbugs in drinking water or public facilities is a major threat to human health and needs to be managed more effectively.
Journal ArticleDOI
Synthesis of Electrospun TiO2 Nanofibers and Characterization of Their Antibacterial and Antibiofilm Potential against Gram-Positive and Gram-Negative Bacteria.
Mohammad Azam Ansari,Hani Manssor Albetran,Muidh Alheshibri,A. Timoumi,N.A. Algarou,Sultan Akhtar,Yassine Slimani,Munirah Abdullah Almessiere,Fatimah Alahmari,Abdulhadi Baykal,It Meng Low +10 more
TL;DR: The antibacterial and antibiofilm results suggest that TiO2 NFs can be used to coat various inanimate objects, in food packaging and in waste-water treatment and purification to prevent bacterial growth and biofilm formation.
Journal ArticleDOI
Light-Induced Motion of Microengines Based on Microarrays of TiO2 Nanotubes.
M. Enachi,Maria Guix,V. Postolache,Vladimir Ciobanu,Vladimir M. Fomin,Oliver G. Schmidt,Ion Tiginyanu +6 more
TL;DR: The obtained results show that light-driven microengines based on microarrays ofTiO2 nanotubes represent a promising platform for controlled micro/nanoscale sample transportation in fluids as well as for environmental applications, in particular, for the enhanced photocatalytic degradation of organic pollutants due to the improved intermixing taking place during the motion of TiO2 microengine.
Journal ArticleDOI
Visible-light-activated oxygen-rich TiO2 as next generation photocatalyst: Importance of annealing temperature on the photoactivity toward reduction of carbon dioxide
TL;DR: In this article, visible-light-active oxygen-rich TiO 2 (O 2 -TiO 2 ) photocatalysts were synthesized via a facile and dopant-free strategy using different annealing temperatures ranging from 200 to 800°C.
Journal ArticleDOI
Type-II/type-II band alignment to boost spatial charge separation: a case study of g-C3N4 quantum dots/a-TiO2/r-TiO2 for highly efficient photocatalytic hydrogen and oxygen evolution
Bing-Xin Zhou,Shuang-Shuang Ding,Yan Wang,Xiao-Rui Wang,Wei-Qing Huang,Kai Li,Gui-Fang Huang +6 more
TL;DR: It is reported that constructing a 0D/0D type-II(T-II)/T- II heterojunction is an effective strategy to ingeniously achieve long-range charge separation and provides a stepping stone towards the design of novel heterojunctions for photocatalytic water splitting.
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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