Band Lineup and Charge Carrier Separation in Mixed Rutile-Anatase Systems

Deák, Péter; Aradi, Bálint; Frauenheim, Thomas

doi:10.1021/jp1115492

Cited by 172 publications

(123 citation statements)

References 40 publications

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“…As regards the electron flux direction within the P25-TiO 2 structure (rutile-to-anatase or vice versa), conflicting hypotheses have been found in the literature review [50][51][52][53]. Further possible semiconductor-semiconductor homojunctions, such as α-Ga 2 O 3 /β-Ga 2 O 3 [54] andα-CaTa 2 O 6 / β-CaTa 2 O 6 [55], are reported.…”

Section: Semiconductor-semiconductor Junctionsmentioning

confidence: 99%

Hydrogen Generation through Solar Photocatalytic Processes: A Review of the Configuration and the Properties of Effective Metal-Based Semiconductor Nanomaterials

et al. 2017

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Photocatalytic water splitting and organic reforming based on nano-sized composites are gaining increasing interest due to the possibility of generating hydrogen by employing solar energy with low environmental impact. Although great efforts in developing materials ensuring high specific photoactivity have been recently recorded in the literature survey, the solar-to-hydrogen energy conversion efficiencies are currently still far from meeting the minimum requirements for real solar applications. This review aims at reporting the most significant results recently collected in the field of hydrogen generation through photocatalytic water splitting and organic reforming, with specific focus on metal-based semiconductor nanomaterials (e.g., metal oxides, metal (oxy)nitrides and metal (oxy)sulfides) used as photocatalysts under UVA or visible light irradiation. Recent developments for improving the photoefficiency for hydrogen generation of most used metal-based composites are pointed out. The main synthesis and operating variables affecting photocatalytic water splitting and organic reforming over metal-based nanocomposites are critically evaluated.

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Section: Semiconductor-semiconductor Junctionsmentioning

confidence: 99%

Hydrogen Generation through Solar Photocatalytic Processes: A Review of the Configuration and the Properties of Effective Metal-Based Semiconductor Nanomaterials

et al. 2017

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“…This electronic band difference, together with a difference in atomic coordination, would certainly affect the photocatalytic reactivity. In particular, an optimal percent mixture of different anatase facets might have positive effects in electron-hole pair separation, as in mixed anatase-rutile systems [110]. Therefore, aiming at designing TiO 2 -based materials with optimal photocatalytic efficiency, the photocatalytic activity order and band energies location of different anatase TiO 2 crystals facets should be carefully evaluated.…”

Section: Selective Charge Separationmentioning

confidence: 99%

Specific Facets-Dominated Anatase TiO2: Fluorine-Mediated Synthesis and Photoactivity

2013

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Semiconductors crystal facet engineering has become an important strategy for properly tuning and optimizing both the physicochemical properties and the reactivity of photocatalysts. In this review, a concise survey of recent results obtained in the field of specific surface-oriented anatase TiO 2 crystals preparation is presented. The attention is mainly focused on the fluorine-mediated hydrothermal and/or solvothermal processes employed for the synthesis and the assembly of anatase micro/nanostructures with dominant {001} facets. Their peculiar photocatalytic properties and potential applications are also presented, with a particular focus on photocatalysis-based environmental clean up and solar energy conversion applications. Finally, the most promising results obtained in the engineering of TiO 2 anatase crystal facets obtained by employing alternative, possibly more environmentally friendly methods are critically compared.

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“…For the staggered type ( Fig. 1(b)), the band edges of anatase are lower than those of rutile, leading to the inverse electrons/holes migrations 17,[19][20][21] .…”

Section: Introductionmentioning

confidence: 99%

Electric-dipole effect of defects on the energy band alignment of rutile and anatase TiO₂

Zhang

Yang

Dong

2015

Phys. Chem. Chem. Phys.

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Titanium dioxide materials have been studied intensively and extensively due to photocatalytic applications. A long-standing open question is the energy band alignment of rutile and anatase TiO2 phases, which can affect the photocatalytic process in the composite system. There are basically two contradictory viewpoints about the alignment of these two TiO2 phases supported by respective experiments: 1) straddling type and 2) staggered type. In this work, our DFT plus U calculations find that the perfect rutile (110) and anatase (101) surfaces have the straddling type band alignment, whereas the surfaces with defects can turn the band alignment into the staggered type. The electric dipoles induced by defects are responsible for the reversal of band alignment. Thus the defects introduced during preparations and post-treatment processes of materials are probably the answer to above open question regarding the band alignment, which can be considered in real practice to tune the photocatalytic activity of materials.* Email: sdong@seu.edu.cn 2

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Band Lineup and Charge Carrier Separation in Mixed Rutile-Anatase Systems

Cited by 172 publications

References 40 publications

Hydrogen Generation through Solar Photocatalytic Processes: A Review of the Configuration and the Properties of Effective Metal-Based Semiconductor Nanomaterials

Hydrogen Generation through Solar Photocatalytic Processes: A Review of the Configuration and the Properties of Effective Metal-Based Semiconductor Nanomaterials

Specific Facets-Dominated Anatase TiO2: Fluorine-Mediated Synthesis and Photoactivity

Electric-dipole effect of defects on the energy band alignment of rutile and anatase TiO₂

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Band Lineup and Charge Carrier Separation in Mixed Rutile-Anatase Systems

Cited by 172 publications

References 40 publications

Hydrogen Generation through Solar Photocatalytic Processes: A Review of the Configuration and the Properties of Effective Metal-Based Semiconductor Nanomaterials

Hydrogen Generation through Solar Photocatalytic Processes: A Review of the Configuration and the Properties of Effective Metal-Based Semiconductor Nanomaterials

Specific Facets-Dominated Anatase TiO2: Fluorine-Mediated Synthesis and Photoactivity

Electric-dipole effect of defects on the energy band alignment of rutile and anatase TiO2

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Electric-dipole effect of defects on the energy band alignment of rutile and anatase TiO₂