Characterization of titanate nanotubes for energy applications

Fernández‐Werner, Luciana; Pignanelli, Fernando; Montenegro, Benjamín; Romero, Mariano; Pardo, Helena; Faccio, Ricardo; Mombrú, Álvaro W.

doi:10.1016/j.est.2017.04.002

Cited by 23 publications

(20 citation statements)

References 35 publications

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“…These parameters were introduced and discussed in a previous work. 20 For the XRD simulation we prepared a model based on the zeolite framework (BEA) filled with carbon nanoribbons. This model was further submitted to a classical molecular dynamics (MD) simulation using a universal force field, as implemented in LAAMPS 21 under an NVT ensemble at T=300 K for a total time period of 60 ps with a time step of .…”

Section: Atomistic Simulation and Xrd Powder Patternsmentioning

confidence: 99%

Impact of the crystal size of beta zeolite on the structural quality of zeolite templated carbons

Aumond

Esteves

Pouilloux

et al. 2022

Microporous and Mesoporous Materials

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The impact of the crystal size of the template zeolite on the textural properties of resulting Zeolite Templated Carbons was studied using nano-(20 nm) and micron-sized (5 µm) zeolite beta crystals. ZTCs were obtained for both nano-and micron-sized zeolite beta crystals, yet for the micron-sized sample the presence of supermicropores and small mesopores was detected, indicating a higher degree of structural defects during the templating process and hence in the final ZTC. The insights gained from nitrogen physisorption were confirmed by TEM, TGA and XPS. Despite, long range structural order, evidenced by X-ray powder diffraction (XRD) for both, nano-and micron-sized ZTCs was inferred. These results suggests that XRD patterns allow to evidence the well-ordered part of the sample but might not be the method of choice for characterizing the structural quality of ZTCs. Simulated XRD powder patterns allowed to propose a graphene-based nanoribbon structure grown in the zeolite pores as a satisfactory model for ZTCs in beta zeolite.

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Section: Atomistic Simulation and Xrd Powder Patternsmentioning

confidence: 99%

Impact of the crystal size of beta zeolite on the structural quality of zeolite templated carbons

Aumond

Esteves

Pouilloux

et al. 2022

Microporous and Mesoporous Materials

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“…graphene, thiophene oligomers) ( Ling and Zhang, 2010 ; Yu et al, 2011 ; Ling et al, 2012 ; Ling et al, 2013 ; Huang et al, 2015 ; Kang et al, 2015 ; Zhang et al, 2016b ; Lombardi, 2017 ; Yilmaz et al, 2017 ; Liu et al, 2018 ) semiconductors is rising and appears to be a very promising technique to study h OI interfaces. Not only there is a vast experimental database that can be useful for vibrational modes assignment but also infrared and, to a lesser extent, Raman spectra can be easily computed using first-principles calculations ( Mombrú et al, 2017a ; Wang et al, 2020a ; Schöttner et al, 2020 ; Fernández-Werner et al, 2017 ; Pignanelli et al, 2017 ). Undoubtedly, nuclear magnetic resonance and X-ray photoelectron spectroscopies are other powerful tools to obtain chemical information about h OI interfaces but are less accessible than vibrational spectroscopies and computational calculations demand a high computational cost.…”

Section: Preparation Characterization and Computational Simulation Of...mentioning

confidence: 99%

“…High-resolution electron, atomic force and tunneling microscopies can give direct local information about h OI materials and interfaces but it is almost impossible to access a large amount of sample as in the case of using X-ray scattering techniques, thus both techniques should be complemented. Furthermore, the modeling of X-ray scattering data by using Rietveld (for crystalline) or Debye (for both crystalline and amorphous) methodologies are quite simple to perform and can be also assisted by classical molecular dynamics calculations ( Scardi and Gelisio, 2016 ; Fernández-Werner et al, 2017 ; Pignanelli et al, 2017 ; Bokuniaeva and Vorokh, 2019 ; Bertolotti et al, 2020 ).…”

Section: Preparation Characterization and Computational Simulation Of...mentioning

confidence: 99%

Hybrid Organic-Inorganic Materials and Interfaces With Mixed Ionic-Electronic Transport Properties: Advances in Experimental and Theoretical Approaches

et al. 2022

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The main goal of this mini-review is to provide an updated state-of-the-art of the hybrid organic-inorganic materials focusing mainly on interface phenomena involving ionic and electronic transport properties. First, we review the most relevant preparation techniques and the structural features of hybrid organic-inorganic materials prepared by solution-phase reaction of inorganic/organic precursor into organic/inorganic hosts and vapor-phase infiltration of the inorganic precursor into organic hosts and molecular layer deposition of organic precursor onto the inorganic surface. Particular emphasis is given to the advances in joint experimental and theoretical studies discussing diverse types of computational simulations for hybrid-organic materials and interfaces. We make a specific revision on the separately ionic, and electronic transport properties of these hybrid organic-inorganic materials focusing mostly on interface phenomena. Finally, we deepen into mixed ionic-electronic transport properties and provide our concluding remarks and give some perspectives about this growing field of research.

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“…Based on the synthesis method, two types of TNTs can be distinguished, anodized and hydrothermally synthesised, of which both have a particular tubular shape and show good physicochemical stability [11,12]. Focusing on pharmaceutical applications, these characteristics indicate that TNTs can be filled with drugs, and may serve as drug carriers for therapeutic use.…”

Section: Introductionmentioning

confidence: 99%

Investigation of the Compressibility and Compactibility of Titanate Nanotube-API Composites

et al. 2018

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The present work aims to reveal the pharma-industrial benefits of the use of hydrothermally synthesised titanate nanotube (TNT) carriers in the manufacturing of nano-sized active pharmaceutical ingredients (APIs). Based on this purpose, the compressibility and compactibility of various APIs (diltiazem hydrochloride, diclofenac sodium, atenolol and hydrochlorothiazide) and their 1:1 composites formed with TNTs were investigated in a comparative study, using a Lloyd 6000R uniaxial press instrumented with a force gauge and a linear variable differential transformer extensometer. The tablet compression was performed without the use of any excipients, thus providing the precise energetic characterisation of the materials’ behaviour under pressure. In addition to the powder functionality test, the post-compressional properties of the tablets were also determined and evaluated. The results of the energetic analysis demonstrated that the use of TNTs as drug carriers is beneficial in every step of the tabletting process: besides providing better flowability and more favourable particle rearrangement, it highly decreases the elastic recovery of the APIs and results in ideal plastic deformation. Moreover, the post-compressional properties of the TNT–API composites were found to be exceptional (e.g., great tablet hardness and tensile strength), affirming the above results and proving the potential in the use of TNT carriers for drug manufacturing.

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Characterization of titanate nanotubes for energy applications

Cited by 23 publications

References 35 publications

Impact of the crystal size of beta zeolite on the structural quality of zeolite templated carbons

Impact of the crystal size of beta zeolite on the structural quality of zeolite templated carbons

Hybrid Organic-Inorganic Materials and Interfaces With Mixed Ionic-Electronic Transport Properties: Advances in Experimental and Theoretical Approaches

Investigation of the Compressibility and Compactibility of Titanate Nanotube-API Composites

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