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
A general method for type I and type II g-C3N4/g-C3N4 metal-free isotype heterostructures with enhanced visible light photocatalysis
TL;DR: In order to address the fast charge recombination of pristine g-C3N4, easily available composite precursors such as dicyandiamide (melamine) and urea were used and thermally treated in situ creating type I and type II isotype heterostructures as mentioned in this paper.
Journal ArticleDOI
Performance comparison of Ni/TiO2 and Au/TiO2 photocatalysts for H2 production in different alcohol-water mixtures
Wan-Ting Chen,Wan-Ting Chen,Andrew Chan,Dongxiao Sun-Waterhouse,Jordi Llorca,Hicham Idriss,Geoffrey I. N. Waterhouse,Geoffrey I. N. Waterhouse +7 more
TL;DR: In this article, the performance of Ni/P25 TiO2 and 2.5wt% Au/P 25TiO2 photocatalysts for H2 production in alcohol-water mixtures under UV excitation was compared.
Journal ArticleDOI
Tailored Synthesis of Photoactive TiO2 Nanofibers and Au/TiO2 Nanofiber Composites: Structure and Reactivity Optimization for Water Treatment Applications
Michael J. Nalbandian,Katherine E. Greenstein,Danmeng Shuai,Miluo Zhang,Yong-Ho Choa,Gene F. Parkin,Nosang V. Myung,David M. Cwiertny +7 more
TL;DR: Unmodified TiO2 nanofibers appear most promising for use as reactive filtration materials because their performance was less influenced by water quality, although future efforts must increase the strength of TiO1 nanofiber mats to realize such applications.
Journal ArticleDOI
Synthesis and characterization of Fe3O4–TiO2 core-shell nanoparticles
Maria Stefan,Ovidiu Pana,Cristian Leostean,Constantin Bele,D. Silipas,Marin Senila,E. Gautron +6 more
TL;DR: In this paper, a modified sol-gel process was applied to preformed magnetite (Fe3O4) cores using co-precipitation method to modify their magnetic and optical properties.
Journal ArticleDOI
Synthesis of SPR Au/BiVO4 quantum dot/rutile-TiO2 nanorod array composites as efficient visible-light photocatalysts to convert CO2 and mechanism insight
Qiujin Shi,Zhijun Li,Lu Chen,Xuliang Zhang,Weihua Han,Mingzheng Xie,Jianlong Yang,Liqiang Jing +7 more
TL;DR: In this paper, a novel nanocomposite array has been successfully fabricated by uniformly decorating BiVO4 quantum dot (BiVO4-QD) with an average size of ∼5'nm onto rutile-TiO2 nanorod array (RTA) through the successive ionic layer adsorption and reaction processes, and exhibited high photocatalytic activity for converting CO2 to CO and CH4 under visible-light irradiation.
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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