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
Generation and Detection of Reactive Oxygen Species in Photocatalysis
Yoshio Nosaka,Atsuko Y. Nosaka +1 more
TL;DR: The detection methods and generation mechanisms of the intrinsic reactive oxygen species (ROS) in photocatalysis were surveyed comprehensively and the major photocatalyst used in heterogeneous photocatalytic systems was found to be TiO2.
Journal ArticleDOI
Atomistic Origins of High-Performance in Hybrid Halide Perovskite Solar Cells
Jarvist M. Frost,Keith T. Butler,Federico Brivio,Christopher H. Hendon,Mark van Schilfgaarde,Aron Walsh +5 more
TL;DR: The performance of organometallic perovskite solar cells has rapidly surpassed that of both conventional dye-sensitized and organic photovoltaics as discussed by the authors, which can be realized in both mesoporous and thin-film device architectures.
Journal ArticleDOI
Titanium dioxide-based nanomaterials for photocatalytic fuel generations.
TL;DR: Generations Yi Ma,† Xiuli Wang,† Yushuai Jia,† Xiaobo Chen,‡ Hongxian Han,*,† and Can Li*,†
Journal ArticleDOI
All-Solid-State Z-Scheme Photocatalytic Systems
TL;DR: This review gives a concise overview of the all-solid-state Z-scheme photocatalytic systems, including their composition, construction, optimization and applications, which have a huge potential to solve the current energy and environmental crises facing the modern industrial development.
Journal ArticleDOI
Visible-light driven heterojunction photocatalysts for water splitting – a critical review
TL;DR: Li et al. as mentioned in this paper provided an overview of the concept of heterojunction construction and more importantly, the current state-of-the-art for the efficient, visible-light driven junction water splitting photo(electro)catalysts reported over the past ten years.
References
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Journal ArticleDOI
Measurement of wurtzite ZnO/rutile TiO2 heterojunction band offsets by x-ray photoelectron spectroscopy
Jun Wang,Xianglin Liu,Anli Yang,Gaolin Zheng,Shaoyan Yang,Hongyuan Wei,Qinsheng Zhu,Zhanguo Wang +7 more
TL;DR: In this article, the valence-band offset of the wurtzite ZnO/rutile TiO2 heterojunction was directly determined by x-ray photoelectron spectroscopy.
Advances in computational studies of energy materials
TL;DR: In this article, the authors concentrate on modelling materials at the atomic level, where their role is to provide information on the key atomic level structures, processes and parameters that control the behaviour of the material in its applications in either generation or storage.
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