Syntheses and Properties of Micro/Nanostructured Crystallites with High‐Energy Surfaces

Jiang, Zhiyuan; Kuang, Qin; Xie, Zhaoxiong; Zheng, Lan‐Sun

doi:10.1002/adfm.201001243

Cited by 239 publications

(162 citation statements)

References 154 publications

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“…Several insightful review papers have reported experimental and theoretical calculation studies on the important aspects that govern crystal shape modulation in semiconductors. [47][48][49][50] …”

Section: Theoretical Procedures and Computational Methodsmentioning

confidence: 99%

Facet-dependent photocatalytic and antibacterial properties of α-Ag₂WO₄crystals: combining experimental data and theoretical insights

Roca

Sczancoski

Nogueira

et al. 2015

Catal. Sci. Technol.

126

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In this paper, we have combined the various experimental results and first-principles calculations with a new and interesting discussion to explain the photocatalytic and antibacterial activities of α-Ag 2 WO 4 crystals, which were obtained using the microwave-hydrothermal (MH) method with anionic surfactants. The advantages of the insights gained through the present work are two-fold. First, the mechanism and origin of the photocatalytic and antibacterial activities can be rationalized. Second, this facile and controllable synthetic method is expected to encourage the synthesis of complex metal oxides with specific active facets, and these insights can contribute to the rational design of new materials for multifunctional applications. X-ray diffraction and Rietveld refinement analysis confirmed that all the crystals have an orthorhombic structure without deleterious phases. Ultraviolet-visible diffuse reflectance spectroscopy indicated the presence of intermediary energy levels and a variation in the optical band gap values (3.09-3.14 eV) with the crystal growth process.The geometry, electronic properties of the bulk, and surface energies of these crystals were evaluated using first-principles quantum mechanical calculations based on the density functional theory. The crystal shapes was experimentally and theoretically modeled based on Rietveld refinement data, emission scanning electron microscopy images, and Wulff construction. To obtain a wide variety of crystal shapes, the morphologies were gradually varied by tuning the surface chemistry, i.e., the relative stability of the faceted crystals. The growth mechanisms of different α-Ag 2 WO 4 crystals and their facet-dependent photocatalytic and antibacterial performances were explored in details. The combination of experimental and theoretical data revealed the presence of (110) and (011) planes with high surface energies together with the disappearance of faces related to the Ĳ010)/Ĳ010) planes in α-Ag 2 WO 4 crystals are key factors that can rationalize both the photocatalytic and antibacterial activities. The different activities may be attributed to the different number of unsaturated superficial Ag and W atoms capable of forming the main active adsorption sites. Finally, we discuss how knowledge of surface-specific properties can be utilized to design a number of crystal morphologies that may offer improved performance in various applications.

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Section: Theoretical Procedures and Computational Methodsmentioning

confidence: 99%

Facet-dependent photocatalytic and antibacterial properties of α-Ag₂WO₄crystals: combining experimental data and theoretical insights

Roca

Sczancoski

Nogueira

et al. 2015

Catal. Sci. Technol.

126

View full text Add to dashboard Cite

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“…Several insightful review papers have reported experimental and theoretical calculations on the important aspects that govern crystal shape modulation in semiconductor and metal NPs [78][79][80]. In addition to the thermodynamic driving forces, kinetics also plays an important role in the determination of the morphology under real growth conditions.…”

Section: = -mentioning

confidence: 99%

Effects of surface stability on the morphological transformation of metals and metal oxides as investigated by first-principles calculations

et al. 2015

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Morphology is a key property of materials. Owing to their precise structure and morphology, crystals and nanocrystals provide excellent model systems for joint experimental and theoretical investigations into surface-related properties. Faceted polyhedral crystals and nanocrystals expose well-defined crystallographic planes depending on the synthesis method, which allow for thoughtful investigations into structure-reactivity relationships under practical conditions. This feature article introduces recent work, based on the combined use of experimental findings and first-principles calculations, to provide deeper knowledge of the electronic, structural, and energetic properties controlling the morphology and the transformation mechanisms of different metals and metal oxides: Ag, anatase TiO 2 , BaZrO 3 , and α-Ag 2 WO 4 . According to the Wulff theorem, the equilibrium shapes of these systems are obtained from the values of their respective surface energies. These investigations are useful to gain further understanding of how to achieve morphological control of complex three-dimensional crystals by tuning the ratio of the surface energy values of the different facets. This strategy allows the prediction of possible morphologies for a crystal and/or nanocrystal by controlling the relative values of surface energies.

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“…It is obvious that other peaks are much weaker than (1 1 0) di®raction peaks, which indicates that the composites tend to grow along the (1 1 0) orientation. 39 They form very thin slabs which can be further proved by the SEM and BJH images. As shown in Fig.…”

Section: Structural and Morphological Characterizationmentioning

confidence: 85%

Effect of Aging Time on the Characteristics and Photocatalysis of Zn2+-Doped CTAB@BiOCl

Liu

et al. 2017

NANO

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Zn 2þ -doped CTAB@BiOCl inorganic-organic composites were prepared by a co-precipitation method with di®erent aging periods. The results show that the aging period has great in°uence on the structure, morphology and surface area of Zn 2þ -doped CTAB@BiOCl. The as-synthesized samples tend to form lamellar stacking structure with the increase of the aging time. In addition, the surface area and pore size distribution of samples decrease with the aging period from 0 h to 48 h and then increase from 48 h to 96 h. Besides, the content of CTAB in these composites increases along with the aging period from 0 h to 3 h and then decreases from 3 h to 96 h. Their photocatalytic performances were evaluated by the degradation of Reactive Red 3 (X3B) under UV light irradiation. It is found that the photocatalytic performance of composites increases with the prolonging of the aging time, and 100 mg/L of X3B solution can be almost completely degraded within 16 min by S 96 . Moreover, the possible formation mechanism has been proposed and discussed in detail. The work can provide a new sight for broadening the application of co-precipitation in the preparation of nanomaterials and for in-situ one-step synthesis of inorganic-organic composites.

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Syntheses and Properties of Micro/Nanostructured Crystallites with High‐Energy Surfaces

Cited by 239 publications

References 154 publications

Facet-dependent photocatalytic and antibacterial properties of α-Ag₂WO₄crystals: combining experimental data and theoretical insights

Facet-dependent photocatalytic and antibacterial properties of α-Ag₂WO₄crystals: combining experimental data and theoretical insights

Effects of surface stability on the morphological transformation of metals and metal oxides as investigated by first-principles calculations

Effect of Aging Time on the Characteristics and Photocatalysis of Zn2+-Doped CTAB@BiOCl

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Syntheses and Properties of Micro/Nanostructured Crystallites with High‐Energy Surfaces

Cited by 239 publications

References 154 publications

Facet-dependent photocatalytic and antibacterial properties of α-Ag2WO4crystals: combining experimental data and theoretical insights

Facet-dependent photocatalytic and antibacterial properties of α-Ag2WO4crystals: combining experimental data and theoretical insights

Effects of surface stability on the morphological transformation of metals and metal oxides as investigated by first-principles calculations

Effect of Aging Time on the Characteristics and Photocatalysis of Zn2+-Doped CTAB@BiOCl

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Facet-dependent photocatalytic and antibacterial properties of α-Ag₂WO₄crystals: combining experimental data and theoretical insights

Facet-dependent photocatalytic and antibacterial properties of α-Ag₂WO₄crystals: combining experimental data and theoretical insights