Fundamental aspects of surface engineering of transition metal oxide photocatalysts

Batzill, Matthias

doi:10.1039/c1ee01577j

Cited by 263 publications

(169 citation statements)

References 78 publications

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“…However, the crystal truncation rod (CTR) measurements performed could not unambiguously determine the coordinates of this hydration layer, so the definitive structure of adsorbates in the adsorbed water layer was not determined. 13,22 The majority of experimental work supports the view that molecular adsorption dominates in the first layer of water ( 1 ML) on nearly perfect surfaces at low temperatures (<350 K), and that water dissociates only at oxygen vacancy sites. [23][24][25][26][27][28][29][30][31][32][33] The evidence for this picture includes ultraviolet photoelectron spectroscopy (UPS) measurements by Kurtz et al 23 of the nearly perfect (110) surface, which was interpreted in terms of molecular adsorption at monolayer coverage (1 ML) at 160 K, dissociative adsorption at low coverage (∼0.1 ML) at 300 K, and suggested that the rate of dissociation is higher on defective surfaces.…”

Section: Introductionmentioning

confidence: 61%

“…A dependency of photocatalytic activity on the surface facet has become evident from a number of experimental studies, [9][10][11][12] though the reasons for this dependency are unknown (see Ref. 13 for proposed mechanisms). A clear atomistic understanding of water chemistry on transition metal oxide photocatalyst surfaces-a prerequisite for apprehending the correspondence between water adsorption properties and photocatalytic activity-has not yet been established; it is hoped that fundamental insight into the photocatalytic mechanism will facilitate the design of more efficient systems.…”

Section: Introductionmentioning

confidence: 99%

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Water adsorption on rutile TiO2(110) for applications in solar hydrogen production: A systematic hybrid-exchange density functional study

et al. 2012

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Periodic hybrid-exchange density functional theory calculations are used to predict the structure of water on the rutile TiO 2 (110) surface ( 1 ML), which is an important first step towards understanding the photocatalytic processes that occur in solar water splitting. A detailed model describing the water-water and water-surface interactions is developed by exploring thoroughly the adsorption energetics. The possible adsorption mode-molecular, dissociative, or mixed-and the binding energy are studied as a function of coverage and arrangement, thus separation, of adsorbed species. These dependencies (coverage and arrangement) have a significant influence on the nature of the interactions involved in the H 2 O-TiO 2 system. The importance of both direct intermolecular and surface-mediated interactions between surface species is emphasized. Finally, to gain insight into the photooxidation of adsorbed species at the surface, the electronic structure of the predicted adsorbate-substrate geometries is analyzed in terms of total and projected density of states.

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Section: Introductionmentioning

confidence: 61%

Section: Introductionmentioning

confidence: 99%

Water adsorption on rutile TiO2(110) for applications in solar hydrogen production: A systematic hybrid-exchange density functional study

et al. 2012

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“…22,28 Therefore, TiO 2 with fewer defect leads to increasing lifetime of charge carriers, and consequently more separated electrons and holes can migrate to the photocatalyst surface that are beneficial for reduction and oxidation processes in the decomposition of MO. 4,19,[29][30][31] In our previous study, 32 although it cannot be observed directly in XRD, the asprepared (without calcination) TiO 2 with fewer ALD cycles has a lower degree of local order, on the contrary more ALD cycles leading to an improvement of the degree of local order. This phenomenon has also been noticed in previous studies carried out by Alekhin et al 33 and Moret et al 34 In the transformation from amorphous tocrystalline by calcination, the TiO 2 with lower degree of local order leds to be transformed into crystallized TiO 2 with lower degree of crystallinity and conversely, the TiO 2 amorphous with higher degree of local order is able to be transformed into TiO 2 crystalline with higher degree of crystallinity as indicated by the intensity of (101) peak in XRD (Fig.…”

Section: Resultsmentioning

confidence: 99%

Atomic layer deposition of TiO2-nanomembrane-based photocatalysts with enhanced performance

et al. 2016

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In this study, TiO2 and TiO2-ZnO nanomembranes were fabricated by atomic layer deposition using the three-dimensionally porous template and their photocatalytic properties were investigated. The nanomembranes were firstly deposited onto the surface of polyurethane porous sponge templates (sacrificial templates), followed by a calcination at 500 or 800 °C. Three-dimensionally porous structures as a replica of the porous sponge templates were thus achieved. By a pulverizing process, the porous structures were broken into small pieces, which were then employed as photocatalyst. Experimental results show that the degree of crystallinity is raised by increasing of the nanomembrane thickness due to the increase of the grain size with minimizing the number of grain boundaries in the thicker nanomembrane, which is beneficial to enhance the photocatalysis efficiency. On the other hand, the photocatalytic activity can also be improved by TiO2-ZnO composite, due to lower electron-hole recombination possibility and better carrier conductivity.

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“…Similarly, the photogenerated holes could generate strong oxidizing agents like OH radicals by interacting with the adsorbed molecules on the surface. Here, the valence band (VB) maximum of the photocatalyst must be lower than the oxidation potential of the adsorbate for efficient hole transfer [148][149][150].…”

Section: Basic Concept Of Photocatalysismentioning

confidence: 99%

Metal oxide semiconducting interfacial layers for photovoltaic and photocatalytic applications

Elumalai

Chellappan

Jose

et al. 2015

Mater Renew Sustain Energy

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The present review rationalizes the significance of the metal oxide semiconductor (MOS) interfaces in the field of photovoltaics and photocatalysis. This perspective considers the role of interface science in energy harvesting using organic photovoltaics (OPVs) and dye-sensitized solar cells (DSSCs). These interfaces include large surface area junctions between photoelectrodes and dyes, the interlayer grain boundaries within the photoanodes, and the interfaces between photoactive layers and the top and bottom contacts. Controlling the collection and minimizing the trapping of charge carriers at these boundaries is crucial to overall power conversion efficiency of solar cells. Similarly, MOS photocatalysts exhibit strong variations in their photocatalytic activities as a function of band structure and surface states. Here, the MOS interface plays a vital role in the generation of OH radicals, which forms the basis of the photocatalytic processes. The physical chemistry and materials science of these MOS interfaces and their influence on device performance are also discussed.

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Fundamental aspects of surface engineering of transition metal oxide photocatalysts

Cited by 263 publications

References 78 publications

Water adsorption on rutile TiO2(110) for applications in solar hydrogen production: A systematic hybrid-exchange density functional study

Water adsorption on rutile TiO2(110) for applications in solar hydrogen production: A systematic hybrid-exchange density functional study

Atomic layer deposition of TiO2-nanomembrane-based photocatalysts with enhanced performance

Metal oxide semiconducting interfacial layers for photovoltaic and photocatalytic applications

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