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
Roles of Phase Junction in Photocatalysis and Photoelectrocatalysis
Xiuli Wang,Can Li +1 more
TL;DR: In this article, the phase junction has been used for photogenerated charge separation, which is one of the key factors determining the solar energy conversion efficiency in photocatalysis and photoelectrocatalysis.
Journal ArticleDOI
Charge Transfer and Photocatalytic Activity in CuO/TiO2 Nanoparticle Heterojunctions Synthesised through a Rapid, One‐Pot, Microwave Solvothermal Route
Savio J. A. Moniz,Junwang Tang +1 more
TL;DR: In this article, copper(II) oxide/titanium dioxide (CuO/TiO2) heterojunctions were synthesized through a rapid solvothermal microwave procedure using a low-cost copper precursor and commercial P25 TiO2, taking as little as five minutes to synthesise well-defined CuO nanoparticles onto the host TiO 2, achieving an intimate contact.
Journal ArticleDOI
Enhanced short-circuit current density of perovskite solar cells using Zn-doped TiO2 as electron transport layer
TL;DR: In this paper, the authors focused on the improvement of short-circuit current density (J sc ) by using zinc-doped TiO 2 (ZndopedTiO 2 ) as electron transport layer.
Journal ArticleDOI
Advances in photocatalytic self-cleaning, superhydrophobic and electromagnetic interference shielding textile treatments.
TL;DR: The recent progress in developing self-cleaning and conductive textiles as two of the leading research fields of smart textiles are discussed and some recommendations for future research trajectories in terms of performance, current limitations, sustainability and safety are proposed.
Journal ArticleDOI
Amorphous Ta2OxNy-enwrapped TiO2 rutile nanorods for enhanced solar photoelectrochemical water splitting
Hongwen Zhang,Lei Ma,Jintao Ming,Bingqian Liu,Yibo Zhao,Yidong Hou,Zhengxin Ding,Chao Xu,Zizhong Zhang,Jinlin Long +9 more
TL;DR: In this article, the authors demonstrated the 12 foldenhanced solar water splitting over the type-II core-shell nanostructured TiO2 rutile photoanodes by orienting the charge flow and accelerating the hole transport to water-oxidation sites.
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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