Anodically grown functional oxide nanotubes and applications

Rao, B. Manmadha; Torabi, Aida; Varghese, Oomman K.

doi:10.1557/mrc.2016.46

Cited by 38 publications

(36 citation statements)

References 130 publications

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“…Thus let us consider the first set. By imposing equality between elastic and vibration energies, in the slab limit, the vibration wavenumbers can be expressed as a function of the elastic constants of the h ‐Y 2 O 3 monolayer as follows:

({, \begin{array}{l} ν_{E_{6}} = \sqrt{\frac{C_{66}}{((), 3 M_{O} + 2 M_{Y})}} . \frac{1}{{italicna}^{2 D}} \\ ν_{A_{1}} = \sqrt{\frac{C_{22}}{((), 3 M_{O} + 2 M_{Y})}} . \frac{1}{{italicna}^{2 D}} \end{array})

where M Y and M O are the atomic masses of yttrium and oxygen atoms and a 2D is the lattice parameter of h ‐Y 2 O 3 . In the expression of the linear mass of, (M N + M B ) gets replaced by (3 M O + 2 M Y ).…”

Section: Resultsmentioning

confidence: 99%

Section: Connection With Elastic Tensormentioning

confidence: 99%

“…To this limitation, part of the interest is focused on the prediction and fabrication of metal oxide nanostructured compounds . For instance, some anodic metal oxide nanotubes have been synthetized using a versatile anodization technique for the use in potential technology . In addition, the influence of the diameter of zigzag and single‐walled armchair zinc oxide nanotubes on some physical properties have been studied by N. L. Marana et al via periodic density functional theory (DFT) with different functions.…”

Section: Introductionmentioning

confidence: 99%

“…[7,8] For instance, some anodic metal oxide nanotubes have been synthetized using a versatile anodization technique for the use in potential technology. [9] In addition, the influence of the diameter of zigzag and single-walled armchair zinc oxide nanotubes on some physical properties have been studied by N. L. Marana et al [10] via periodic density functional theory (DFT) with different functions. In a computational work, the structural stability of single-walled zigzag beryllium oxide nanotubes is predicted using (DFT/B3LYP) calculations.…”

Section: Introductionmentioning

confidence: 99%

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Efficient ab initio quantum mechanical simulations of structural stability and vibrational properties of bulk, monolayer and (n,0) nanotubes: Yttrium sesquioxide Y₂O₃

Larbi

El‐Kelany

Doll

et al. 2019

J Raman Spectroscopy

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In this contribution, we report reliable ab initio quantum mechanical simulations of a variety of physical properties concerning yttrium sesquioxide (Y2O3) in different arrangements from the bulk, the monolayer (h‐Y2O3), to the (n,0) single‐walled nanotubes in the range from n = 6 to 32, for geometry optimization and vibrational properties. Structural parameters, phonon wavenumbers, infrared (IR) and Raman intensities, and elastic constants are computed via density functional theory (DFT/B3LYP) where the trend towards the (h‐Y2O3) monolayer for large nanotube radius is discussed. We firstly report combined experimental and computational studies on the structural and vibrational properties of the bulk Y2O3. Then, IR and Raman spectra of all arrangements are simulated via the coupled perturbed Hartree–Fock and Kohn–Sham (CPHF/KS) computational schemes. For the (n,0) Y2O3 nanotube family, two sets of IR active phonon modes in the (200–400 cm−1) and (600–900 cm−1) ranges are determined. Both of them tend smoothly with different slope, towards the optical vibrational modes of the h‐Y2O3 single layer. Three sets of active phonon bands are obtained in their Raman spectrum. The first one, in the 0–100 cm−1 range contains two phonon modes, their vibration wavenumbers tend to zero at very large tube radius and are found to be connected to the elastic constants C11 and C66 of the h‐Y2O3 monolayer as the 1D → 2D transition is approached. The second one, in 200–400 cm−1 range tends to the optical mode E′ (ν = 308 cm−1) of the monolayer. The third set, in the 600–900 cm−1 range contains two active modes, their intensities tend to zero in the limit of large nanotube without change in their vibration wavenumbers.

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({, \begin{array}{l} ν_{E_{6}} = \sqrt{\frac{C_{66}}{((), 3 M_{O} + 2 M_{Y})}} . \frac{1}{{italicna}^{2 D}} \\ ν_{A_{1}} = \sqrt{\frac{C_{22}}{((), 3 M_{O} + 2 M_{Y})}} . \frac{1}{{italicna}^{2 D}} \end{array})

Section: Resultsmentioning

confidence: 99%

Section: Connection With Elastic Tensormentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Efficient ab initio quantum mechanical simulations of structural stability and vibrational properties of bulk, monolayer and (n,0) nanotubes: Yttrium sesquioxide Y₂O₃

Larbi

El‐Kelany

Doll

et al. 2019

J Raman Spectroscopy

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“…Although the amount of light absorbed would increase with film thickness, depending upon the carrier diffusion length it could dramatically reduce the number of carriers available for redox reactions and diminish the relevance of using QDs. Our strategy was to use TiO 2 nanotube (NT) array films ( Figure a) as high surface area support as well as electron transport medium for FBN …”

mentioning

confidence: 99%

Fluorinated Boron Nitride Quantum Dots: A New 0D Material for Energy Conversion and Detection of Cellular Metabolism

Radhakrishnan

Park

Neupane

et al. 2018

Part & Part Syst Charact

Self Cite

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Quantum dots encompass a broad spectrum of optical, catalytic, and electrochemical properties bringing in novel applications in catalysis, imaging, displays, and optoelectronics. Herein, the unanticipated broad‐spectrum light absorption and high fluorescence quantum yield in fluorinated boron nitride (FBN) quantum dots are discussed. A heterostructure of FBN quantum dots with a wide‐bandgap semiconductor, titania nanotube arrays, exhibits high photocatalytic activity as evidenced by high external quantum efficiency extending from ultraviolet to green region of the solar spectrum (≈24% at 400 nm). The high activity is confirmed using photoelectrochemical hydrogen evolution experiments. Further, it is demonstrated that high fluorescence quantum yield could be tapped for the detection of glycolytic activity in cancer cells compared to normal cells. This finding could shift the paradigm of molecular detection using quantum dots. The 0D structure and the gap states introduced through fluorination are believed to be responsible for these unprecedented characteristics of boron nitride.

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Rational Design of Photoelectrodes with Rapid Charge Transport for Photoelectrochemical Applications

Sheng

Feng

2019

Advanced Materials

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Photoelectrode materials are the heart of photoelectrochemical (PEC) cells, which hold great promise to address global energy and environmental issues by converting solar energy into electricity or chemical fuels. In recent decades, significant research efforts have been devoted to the design and construction of photoelectrodes for the efficient generation and utilization of charge carriers to boost PEC performance. This review presents insights from a literature study on the relationship between the architecture and charge dynamics of photoelectrodes. After briefly introducing the fundamental theories of charge dynamics in nanostructured photoelectrodes, the development of photoelectrode design in one-dimensional (1D) polycrystalline nanotube arrays, 1D single-crystalline nanowire arrays, and 3D hierarchical and mesoporous nanowire arrays is reviewed with a focus on the interplay between architecture and charge transport properties. For each design, commonly used synthetic approaches and the corresponding charge transport properties are summarized, with insights into the relationship between the photoelectrode structure and charge transport properties. Subsequently, the applications of these photoelectrodes in PEC systems is summarized. Finally, this review concludes with future challenges in the rational design of This article is protected by copyright. All rights reserved.3 photoelectrode architecture. The basic relationships between the architectures and charge dynamics of photoelectrode materials summarized in this review are expected to provide pertinent guidance and a reference for future advanced material design targeting improved light energy conversion systems.

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Anodically grown functional oxide nanotubes and applications

Abstract: Abstract

Cited by 38 publications

References 130 publications

Efficient ab initio quantum mechanical simulations of structural stability and vibrational properties of bulk, monolayer and (n,0) nanotubes: Yttrium sesquioxide Y₂O₃

Efficient ab initio quantum mechanical simulations of structural stability and vibrational properties of bulk, monolayer and (n,0) nanotubes: Yttrium sesquioxide Y₂O₃

Fluorinated Boron Nitride Quantum Dots: A New 0D Material for Energy Conversion and Detection of Cellular Metabolism

Rational Design of Photoelectrodes with Rapid Charge Transport for Photoelectrochemical Applications

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Anodically grown functional oxide nanotubes and applications

Abstract: Abstract

Cited by 38 publications

References 130 publications

Efficient ab initio quantum mechanical simulations of structural stability and vibrational properties of bulk, monolayer and (n,0) nanotubes: Yttrium sesquioxide Y2O3

Efficient ab initio quantum mechanical simulations of structural stability and vibrational properties of bulk, monolayer and (n,0) nanotubes: Yttrium sesquioxide Y2O3

Fluorinated Boron Nitride Quantum Dots: A New 0D Material for Energy Conversion and Detection of Cellular Metabolism

Rational Design of Photoelectrodes with Rapid Charge Transport for Photoelectrochemical Applications

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Efficient ab initio quantum mechanical simulations of structural stability and vibrational properties of bulk, monolayer and (n,0) nanotubes: Yttrium sesquioxide Y₂O₃

Efficient ab initio quantum mechanical simulations of structural stability and vibrational properties of bulk, monolayer and (n,0) nanotubes: Yttrium sesquioxide Y₂O₃