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
The design of new magnetic-photocatalyst nanocomposites (CoFe2O4–TiO2) as smart nanomaterials for recyclable-photocatalysis applications
Choon Yian Haw,Wee Siong Chiu,Saadah Abdul Rahman,Poi Sim Khiew,Shahidan Radiman,Roslan Abdul Shukor,Muhammad Azmi Abdul Hamid,Naziri Ghazali +7 more
TL;DR: In this paper, the synthesis and characterisation of a new magnetic-photocatalyst (CoFe2O4-TiO2) and its feasibility to be used as smart magnetically-recoverable nanomaterial in the photodegradation of methylene blue (MB) was reported.
Journal ArticleDOI
Synthesis of TiO2 with controllable ratio of anatase to rutile
TL;DR: In this article, dual-phase TiO2 photocatalysts with controllable ratio of anatase to rutile were synthesized, and evaluated using the degradation of Rhodamine B (RhB) under UV light irradiation.
Journal ArticleDOI
Full visible-light absorption of TiO2 nanotubes induced by anionic S22− doping and their greatly enhanced photocatalytic hydrogen production abilities
Shuchao Sun,Jianjiao Zhang,Peng Gao,Ying Wang,Xiaobo Li,Tingting Wu,Yanbo Wang,Yujin Chen,Piaoping Yang +8 more
TL;DR: In this paper, anionic S 2 2− has been successfully introduced into TiO 2 nanotubes, which is different from the previous works about S-doped TiO2 that contain only cationic S 4+ and S 6+.
Journal ArticleDOI
CdS quantum dots and tungsten carbide supported on anatase–rutile composite TiO2 for highly efficient visible-light-driven photocatalytic H2 evolution from water
Yun-Xiang Pan,Yun-Xiang Pan,Tianhua Zhou,Tianhua Zhou,Jianyu Han,Jindui Hong,Yabo Wang,Wei Zhang,Wei Zhang,Rong Xu,Rong Xu +10 more
TL;DR: In this article, a CdS/WC/TiO2 photocatalyst was fabricated for visible-light-driven photocatalytic H2 evolution from aqueous solution containing lactic acid as an electron donor.
Journal ArticleDOI
Synthesis of nanoparticles composed of silver and silver chloride for a plasmonic photocatalyst using an extract from a weed Solidago altissima (goldenrod)
Vemu Anil Kumar,Takashi Uchida,Toru Mizuki,Yoshikata Nakajima,Yoshihiro Katsube,Tatsuro Hanajiri,Toru Maekawa +6 more
TL;DR: In this paper, a green synthetic methodology of nanoparticles composed of silver (Ag) and silver chloride (AgCl) NPs is developed using a leaf extract of Solidago altissima as a reducing agent for the first time.
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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