Photocatalytic Activities of Different Well-defined Single Crystal TiO<sub>2</sub> Surfaces: Anatase versus Rutile

Ahmed, Amira Y.; Kandiel, Tarek A.; Oekermann, Torsten; Bahnemann, Detlef W.

doi:10.1021/jz201156b

Cited by 178 publications

(170 citation statements)

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“…Thus, FeO x (or SnO 2 ) species can be formed on the TiO 2 surface in a highly dispersed state at a molecular level by the CCC technique. The use of hydrolysis-resistant Fe(acac) 3 (or [Sn(acac) 2 ]Cl 2 ) as a precursor and the post-heating after its strong chemisorption on the TiO 2 surface are considered to contribute to the formation of the unique FeO x (or SnO 2 ) species. The Fe (or Sn) loading amount is expressed by the number of Fe (or Sn) ions per unit of TiO 2 surface area (G/ions nm…”

Section: Resultsmentioning

confidence: 99%

“…As predicted from the absorption spectrum, SnO 2 /TiO 2 was inactive for the degradations of 2-NAP and CH 3 CHO under illumination of visible light. On the other hand, UV-light irradiation led to the degradations of 2-NAP and CH 3 CHO apparently with first-order kinetics followed. Fig.…”

Section: à2mentioning

confidence: 98%

“…[1,2] In general, the photocatalytic activity of TiO 2 strongly depends on the crystal form and the exposed crystal plane. [3] For the oxidation of organics, anatase usually exhibits a higher UV-light activity than rutile, [4] which can be improved by coupling with rutile. [5] The present major challenge in TiO 2 photocatalysis is providing it with visiblelight activity at the same time as increasing its UV-light activity.…”

Section: Introductionmentioning

confidence: 99%

“…the organic part is oxidized by post-heating, for preparing metal oxide clusters at a molecular scale (Scheme 1). [34] For FeO xmodified TiO 2 , Fe(acac) 3 2 ] 2þ ion (Eqn 2). [35] Sn acac ð…”

Section: Introductionmentioning

confidence: 99%

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Molecular Metal Oxide Cluster-Surface Modified Titanium(IV) Dioxide Photocatalysts

Nolan¹,

Iwaszuk²,

Tada³

2012

Aust. J. Chem.

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The surface modification of TiO 2 with molecular sized metal oxide clusters has recently been shown to be a promising approach for providing TiO 2 with visible-light activity and/or improved UV activity. This short review summarizes the effects of the surface modification of TiO 2 with the oxides of iron and tin selected from d-and p-blocks, respectively, on the photocatalytic activity. Fe(acac) 3 and [Sn(acac) 2 ]Cl 2 chemisorption on the TiO 2 surface occurs by ligand-exchange and ion-exchange, respectively. Taking advantage of the strong adsorption, we formed extremely small metal oxide clusters on TiO 2 by the chemisorption-calcination cycle (CCC) technique with their loading amount strictly controlled. The iron oxide surface modification of P-25 (anatase/rutile ¼ 4 : 1, w/w, Degussa) gives rise to a high level of visible-light activity and a concomitant increase in the UV-light activity for the degradation of model organic pollutants. On the other hand, only the UV-light activity is increased by the tin oxide surface modification of ST-01 (anatase, Ishihara Sangyo). This striking difference can be rationalized on the basis of the material characterization and DFT calculations, which show that FeO x surface modification of rutile leads to visible-light activity, while SnO 2 -modified anatase enhances only the UV-light activity. We propose the mechanisms behind the FeO x and SnO 2 surface modification, where the surface-to-bulk and bulk-to-surface interfacial electron transfer are taken into account in the former and the latter, respectively.

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Section: Resultsmentioning

confidence: 99%

Section: à2mentioning

confidence: 98%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Molecular Metal Oxide Cluster-Surface Modified Titanium(IV) Dioxide Photocatalysts

Nolan¹,

Iwaszuk²,

Tada³

2012

Aust. J. Chem.

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“…The (1 1 0) surface is the predominantly exposed plane of natural rutile (60%), and the (0 0 1) surface is studied intensively in surface science due to its large-coordinate unsaturation (Ramamoorthy et al, 1994;Ahmed et al, 2011).…”

Section: Introductionmentioning

confidence: 99%

Binding mechanism of arsenate on rutile (1 1 0) and (0 0 1) planes studied using grazing-incidence EXAFS measurement and DFT calculation

Zhang

Pan

2015

Chemosphere

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h i g h l i g h t sStructure and stability of arsenate on rutile (1 1 0) and (0 0 1) surfaces were studied. Polar angles of arsenate on (1 1 0) surface were smaller than that on (0 0 1) surface. Orientational polar angle of arsenate was related to its adsorption stability.(1 1 0) surface displayed a higher affinity toward arsenate than (0 0 1) surface. Handling Editor: X. Cao Keywords:Surface complex Molecular orientation Adsorption stability GI-EXAFS Density functional theory a b s t r a c t Characterization of contaminant molecules on different exposed crystal planes is required to conclusively describe its behavior on mineral surfaces. Here, the structural properties and relative stability of arsenate adsorbed on rutile TiO 2 (1 1 0) and (0 0 1) surfaces were investigated using grazing-incidence extended Xray absorption fine structure (GI-EXAFS) spectra and periodic density functional theory (DFT) calculation. The combined results indicated that arsenate mainly formed inner-sphere bidentate binuclear (BB) and monodentate mononuclear (MM) complexes on both surfaces, but the orientational polar angles of arsenate on the (1 1 0) surface were commonly smaller than that on the (0 0 1) surface for the two adsorption modes. The DFT calculation showed that the (1 1 0) plane had a higher affinity toward arsenate than the (0 0 1) plane, suggesting that, for a given adsorption mode (i.e., MM or BB structure), a small polar angle was more favorable for arsenate stabilized on the rutile surfaces.

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Recent Progress in the Development of Semiconductor‐Based Photocatalyst Materials for Applications in Photocatalytic Water Splitting and Degradation of Pollutants

Opoku

Govender

Sittert

et al. 2017

Advanced Sustainable Systems

188

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Photocatalytic approaches in the visible region show promising potential in photocatalytic water splitting and water treatment to boost water purification efficiency. For this reason, developing cost‐effective and efficient photocatalysts for environmental remediation is a growing need, and semiconductor photocatalysts have now received more interest owing to their excellent activity and stability. Recently, several metal oxides, sulfides, and nitrides‐based semiconductors for water splitting and photodegradation of pollutants have been developed. However, the existing challenges, such as high over potential, wide band gap as well as fast recombination of charge carriers of most of the semiconductors limit their photocatalytic properties. This review summarizes the recent state‐of‐the‐art first‐principles research progress in the design of effective visible‐light‐response semiconductor photocatalysts through several modification processes with a focus on density functional theory (DFT) calculations. Recent developments to the exchange‐correlation effect, such as hybrid functionals, DFT + U as well as methods beyond DFT are also emphasized. Recent discoveries on the origin, fundamentals, and the underlying mechanisms of the interfacial electron transfer, band gap reduction, enhanced optical absorption, and electron–holes separation are presented. Highlights on the challenges and proposed strategies in developing advanced semiconductor photocatalysts for the application in water splitting and degradation of pollutants are proposed.

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Photocatalytic Activities of Different Well-defined Single Crystal TiO₂ Surfaces: Anatase versus Rutile

Cited by 178 publications

References 33 publications

Molecular Metal Oxide Cluster-Surface Modified Titanium(IV) Dioxide Photocatalysts

Molecular Metal Oxide Cluster-Surface Modified Titanium(IV) Dioxide Photocatalysts

Binding mechanism of arsenate on rutile (1 1 0) and (0 0 1) planes studied using grazing-incidence EXAFS measurement and DFT calculation

Recent Progress in the Development of Semiconductor‐Based Photocatalyst Materials for Applications in Photocatalytic Water Splitting and Degradation of Pollutants

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Photocatalytic Activities of Different Well-defined Single Crystal TiO2 Surfaces: Anatase versus Rutile

Cited by 178 publications

References 33 publications

Molecular Metal Oxide Cluster-Surface Modified Titanium(IV) Dioxide Photocatalysts

Molecular Metal Oxide Cluster-Surface Modified Titanium(IV) Dioxide Photocatalysts

Binding mechanism of arsenate on rutile (1 1 0) and (0 0 1) planes studied using grazing-incidence EXAFS measurement and DFT calculation

Recent Progress in the Development of Semiconductor‐Based Photocatalyst Materials for Applications in Photocatalytic Water Splitting and Degradation of Pollutants

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Photocatalytic Activities of Different Well-defined Single Crystal TiO₂ Surfaces: Anatase versus Rutile