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X-ray Diffraction of Functional Materials

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A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Advanced Materials Characterization".

Deadline for manuscript submissions: closed (30 April 2021) | Viewed by 33735

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Special Issue Editors

Dr. Thomas Walter Cornelius

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Guest Editor

Institut Matériaux Microélectronique Nanosciences de Provence (IM2NP), CNRS UMR 7334, Aix-Marseille Université, Université de Toulon, Avenue Escadrille Normandie Niemen, 13397 Marseille, CEDEX 20, France
Interests: materials science; nanotechnology; synchrotron X-ray diffraction (coherent X-ray diffraction, laue microdiffraction); in situ nanomechanical testing; finite size effects; nanowires

Dr. Souren Grigorian

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Guest Editor

Universität Siegen, Siegen, Germany
Interests: material characterization; nanomaterials; nanoparticles; OFETs and solar cells; thin films and nanotechnology; local scale probing; in situ X-ray diffraction; real-time structural characterization

Special Issue Information

Dear colleagues,

With new functional materials being developed and their properties being strongly related to their microstructure, the characterization of the latter is of paramount interest. Thanks to its non-invasive character, adaptability to various environments, high sensitivity to crystalline structure and deformation as well as to defects, X-ray diffraction is the ideal tool to investigate the microstructure of these new materials.

The last 15 years have seen a continuous development of X-ray sources, optics, and detectors ,making X-ray microscopy of strain and defects a reality with realistic time scales. Thanks to the penetrating power of X-rays, in situ or even operando monitoring of the crystalline structure of materials and devices as a function of mechanical stimuli, temperature, gases, electric fields, etc. is being commonly performed. Such studies are invaluable to investigate physical mechanisms at work in real or close to real conditions. This is the case of elastic and plastic properties, catalytic activity, ferroelectric domain structure, and many others.

Moreover, advances in detectors and computer hardware and software facilitate time-resolved X-ray diffraction studies of the transient behavior of the microstructure, phase transitions, and physical changes caused by external stimuli. The time range covers more than ten orders of magnitude—from sub-picoseconds to kiloseconds. The advent of free electron lasers opens the few femtoseconds range enabling the study of electronic processes.

This issue is dedicated to the latest advances in X-ray diffraction using both synchrotron radiation as well as laboratory sources for evaluating the mixcrostructure and structure-to-property relation in functional materials (functional oxides, organic and hybrid materials for energy, electronics, etc.). Particular focus will be placed on novel in situ or operando approaches. Contributions addressing various materials from macroobjects to nanostructures by different techniques (powder diffraction, surface diffraction, coherent X-ray diffraction, Laue diffraction, etc.) as well as various length and time scales are welcome.

Dr. Thomas Walter Cornelius
Dr. Souren Grigorian
Guest Editors

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Keywords

X-ray diffraction
powder diffraction
surface X-ray diffraction
time-resolved X-ray diffraction
in situ/operando characterizations
structure-to-property correlation
synchrotron
energy and functional materials
functional oxides
nanostructures

Published Papers (14 papers)

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Research

13 pages, 8323 KiB

Open AccessArticle

Multiblock Thermoplastic Polyurethanes: In Situ Studies of Structural and Morphological Evolution under Strain

by Denis V. Anokhin, Marina A. Gorbunova, Ainur F. Abukaev and Dimitri A. Ivanov

Materials 2021, 14(11), 3009; https://0-doi-org.brum.beds.ac.uk/10.3390/ma14113009 - 01 Jun 2021

Cited by 5 | Viewed by 2420

Abstract

The structural evolution of multiblock thermoplastic polyurethane ureas based on two polydiols, poly(1,4-butylene adipate (PBA) and poly-ε-caprolactone (PCL), as soft blocks and two diisocyanites, 2,4-toluylene diisocyanate (TDI) and 1,6-hexamethylene diisocyanate (HMDI), as hard blocks is monitored during in situ deformation by small- and wide-angle X-ray scattering. It was shown that the urethane environment determines the crystal structure of the soft block. Consequently, two populations of crystalline domains of polydiols are formed. Aromatic TDI forms rigid domains and imposes constrains on the crystallization of bounded polydiol. During stretching, the TDI–polydiol domains reveal limited elastic deformation without reorganization of the crystalline phase. The constrained lamellae of polydiol form an additional physical network that contributes to the elastic modulus and strength of the material. In contrast, polydiols connected to the linear semi-flexible HMDI have a higher crystallization rate and exhibit a more regular lamellar morphology. During deformation, the HMDI-PBA domains show a typical thermoplastic behavior with plastic flow and necking because of the high degree of crystallinity of PBA at room temperature. Materials with HMDI-PCL bonding exhibit elastic deformation due to the low degree of crystallinity of the PCL block in the isotropic state. At higher strain, hardening of the material is observed due to the stress-induced crystallization of PCL. Full article

(This article belongs to the Special Issue X-ray Diffraction of Functional Materials)

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16 pages, 5235 KiB

Open AccessArticle

X-ray Diffraction Analysis and Williamson-Hall Method in USDM Model for Estimating More Accurate Values of Stress-Strain of Unit Cell and Super Cells (2 × 2 × 2) of Hydroxyapatite, Confirmed by Ultrasonic Pulse-Echo Test

by Marzieh Rabiei, Arvydas Palevicius, Amir Dashti, Sohrab Nasiri, Ahmad Monshi, Akram Doustmohammadi, Andrius Vilkauskas and Giedrius Janusas

Materials 2021, 14(11), 2949; https://0-doi-org.brum.beds.ac.uk/10.3390/ma14112949 - 30 May 2021

Cited by 17 | Viewed by 3601

Abstract

Taking into account X-ray diffraction, one of the well-known methods for calculating the stress-strain of crystals is Williamson-Hall (W–H). The W-H method has three models, namely (1) Uniform deformation model (UDM); (2) Uniform stress deformation model (USDM); and (3) Uniform deformation energy density model (UDEDM). The USDM and UDEDM models are directly related to the modulus of elasticity (E). Young’s modulus is a key parameter in engineering design and materials development. Young’s modulus is considered in USDM and UDEDM models, but in all previous studies, researchers used the average values of Young’s modulus or they calculated Young’s modulus only for a sharp peak of an XRD pattern or they extracted Young’s modulus from the literature. Therefore, these values are not representative of all peaks derived from X-ray diffraction; as a result, these values are not estimated with high accuracy. Nevertheless, in the current study, the W-H method is used considering the all diffracted planes of the unit cell and super cells (2 × 2 × 2) of Hydroxyapatite (HA), and a new method with the high accuracy of the W-H method in the USDM model is presented to calculate stress (σ) and strain (ε). The accounting for the planar density of atoms is the novelty of this work. Furthermore, the ultrasonic pulse-echo test is performed for the validation of the novelty assumptions. Full article

(This article belongs to the Special Issue X-ray Diffraction of Functional Materials)

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11 pages, 9026 KiB

Open AccessCommunication

Bicontinuous Gyroid Phase of a Water-Swollen Wedge-Shaped Amphiphile: Studies with In-Situ Grazing-Incidence X-ray Scattering and Atomic Force Microscopy

by Kseniia N. Grafskaia, Azaliia F. Akhkiamova, Dmitry V. Vashurkin, Denis S. Kotlyarskiy, Diego Pontoni, Denis V. Anokhin, Xiaomin Zhu and Dimitri A. Ivanov

Materials 2021, 14(11), 2892; https://0-doi-org.brum.beds.ac.uk/10.3390/ma14112892 - 28 May 2021

Viewed by 2693

Abstract

We report on formation of a bicontinuous double gyroid phase by a wedge-shaped amphiphilic mesogen, pyridinium 4′-[3″,4″,5″-tris-(octyloxy)benzoyloxy]azobenzene-4-sulfonate. It is found that this compound can self-organize in zeolite-like structures adaptive to environmental conditions (e.g., temperature, humidity, solvent vapors). Depending on the type of the phase, the structure contains 1D, 2D, or 3D networks of nanometer-sized ion channels. Of particular interest are bicontinuous phases, such as the double gyroid phase, as they hold promise for applications in separation and energy. Specially designed environmental cells compatible with grazing-incidence X-ray scattering and atomic force microscopy enable simultaneous measurements of structural parameters/morphology during vapor-annealing treatment at different temperatures. Such in-situ approach allows finding the environmental conditions at which the double gyroid phase can be formed and provide insights on the supramolecular structure of thin films at different spatial levels. Full article

(This article belongs to the Special Issue X-ray Diffraction of Functional Materials)

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17 pages, 10707 KiB

Open AccessArticle

Optimization of Residual Stress Measurement Conditions for a 2D Method Using X-ray Diffraction and Its Application for Stainless Steel Treated by Laser Cavitation Peening

by Hitoshi Soyama, Chieko Kuji, Tsunemoto Kuriyagawa, Christopher R. Chighizola and Michael R. Hill

Materials 2021, 14(11), 2772; https://0-doi-org.brum.beds.ac.uk/10.3390/ma14112772 - 24 May 2021

Cited by 11 | Viewed by 2314

Abstract

As the fatigue strength of metallic components may be affected by residual stress variation at small length scales, an evaluation method for studying residual stress at sub-mm scale is needed. The sin²ψ method using X-ray diffraction (XRD) is a common method to measure residual stress. However, this method has a lower limit on length scale. In the present study, a method using at a 2D XRD detector with ω-oscillation is proposed, and the measured residual stress obtained by the 2D method is compared to results obtained from the sin²ψ method and the slitting method. The results show that the 2D method can evaluate residual stress in areas with a diameter of 0.2 mm or less in a stainless steel with average grain size of 7 μm. The 2D method was further applied to assess residual stress in the stainless steel after treatment by laser cavitation peening (LCP). The diameter of the laser spot used for LCP was about 0.5 mm, and the stainless steel was treated with evenly spaced laser spots at 4 pulses/mm². The 2D method revealed fluctuations of LCP-induced residual stress at sub-mm scale that are consistent with fluctuations in the height of the peened surface. Full article

(This article belongs to the Special Issue X-ray Diffraction of Functional Materials)

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15 pages, 9840 KiB

Open AccessArticle

Relationship between Young’s Modulus and Planar Density of Unit Cell, Super Cells (2 × 2 × 2), Symmetry Cells of Perovskite (CaTiO₃) Lattice

by Marzieh Rabiei, Arvydas Palevicius, Sohrab Nasiri, Amir Dashti, Andrius Vilkauskas and Giedrius Janusas

Materials 2021, 14(5), 1258; https://0-doi-org.brum.beds.ac.uk/10.3390/ma14051258 - 06 Mar 2021

Cited by 8 | Viewed by 2302

Abstract

Calcium titanate-CaTiO₃ (perovskite) has been used in various industrial applications due to its dopant/doping mechanisms. Manipulation of defective grain boundaries in the structure of perovskite is essential to maximize mechanical properties and stability; therefore, the structure of perovskite has attracted attention, because without fully understanding the perovskite structure and diffracted planes, dopant/doping mechanisms cannot be understood. In this study, the areas and locations of atoms and diffracted planes were designed and investigated. In this research, the relationship between Young’s modulus and planar density of unit cell, super cells (2 × 2 × 2) and symmetry cells of nano CaTiO₃ is investigated. Elastic constant, elastic compliance and Young’s modulus value were recorded with the ultrasonic pulse-echo technique. The results were C₁₁ = 330.89 GPa, C₁₂ = 93.03 GPa, C₄₄ = 94.91 GPa and E = 153.87 GPa respectively. Young’s modulus values of CaTiO₃ extracted by planar density were calculated 162.62 GPa, 151.71 GPa and 152.21 GPa for unit cell, super cells (2 × 2 × 2) and symmetry cells, respectively. Young’s modulus value extracted by planar density of symmetry cells was in good agreement with Young’s modulus value measured via ultrasonic pulse-echo. Full article

(This article belongs to the Special Issue X-ray Diffraction of Functional Materials)

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16 pages, 2591 KiB

Open AccessArticle

The Number of Subgrain Boundaries in the Airfoils of Heat-Treated Single-Crystalline Turbine Blades

by Jacek Krawczyk, Włodzimierz Bogdanowicz and Jan Sieniawski

Materials 2021, 14(1), 8; https://0-doi-org.brum.beds.ac.uk/10.3390/ma14010008 - 22 Dec 2020

Cited by 5 | Viewed by 2260

Abstract

In the present study, the dendrites deflection mechanism from the mold walls were subjected to verification regarding its heat-treated turbine rotor blades. The number of macroscopic low-angle boundaries created on the cross-section of the blades’ airfoil near the tip was experimentally determined and compared to the number of low-angle boundaries calculated from a model based on the dendrites deflection mechanism. Based on the Laue patterns and geometrical parameters of airfoils, the number of low-angle boundaries occurring at the upper part of the blades airfoil after heat treatment was calculated. This number for the analyzed group of blades ranged from 5 to 9. Full article

(This article belongs to the Special Issue X-ray Diffraction of Functional Materials)

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14 pages, 2000 KiB

Open AccessArticle

Transformation of Ammonium Azide at High Pressure and Temperature

by Guozhao Zhang, Haiwa Zhang, Sandra Ninet, Hongyang Zhu, Keevin Beneut, Cailong Liu, Mohamed Mezouar, Chunxiao Gao and Frédéric Datchi

Materials 2020, 13(18), 4102; https://0-doi-org.brum.beds.ac.uk/10.3390/ma13184102 - 15 Sep 2020

Cited by 4 | Viewed by 2239

Abstract

The compression of ammonium azide (AA) has been considered to be a promising route for producing high energy-density polynitrogen compounds. So far though, there is no experimental evidence that pure AA can be transformed into polynitrogen materials under high pressure at room temperature. [...] Read more.

_{2}

and on pure AA in the range 0–30 GPa, 300–700 K. The decomposition of AA into N

_{2}

and NH

_{3}

was observed in liquid N

_{2}

around 15 GPa–700 K. For pressures above 20 GPa, our results show that AA in N

_{2}

transforms into a new crystalline compound and solid ammonia when heated above 620 K. This compound is stable at room temperature and on decompression down to at least 7.0 GPa. Pure AA also transforms into a new compound at similar P–T conditions, but the product is different. The newly observed phases are studied by Raman spectroscopy and X-ray diffraction and compared to nitrogen and hydronitrogen compounds that have been predicted in the literature. While there is no exact match with any of them, similar vibrational features are found between the product that was obtained in AA + N

_{2}

with a polymeric compound of N

_{9}

H formula. Full article

(This article belongs to the Special Issue X-ray Diffraction of Functional Materials)

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10 pages, 1674 KiB

Open AccessArticle

Pressure- and Temperature-Induced Insertion of N₂, O₂ and CH₄ to Ag-Natrolite

by Donghoon Seoung, Hyeonsu Kim, Pyosang Kim and Yongmoon Lee

Materials 2020, 13(18), 4096; https://0-doi-org.brum.beds.ac.uk/10.3390/ma13184096 - 15 Sep 2020

Cited by 2 | Viewed by 1579

Abstract

This paper aimed to investigate the structural and chemical changes of Ag-natrolite (Ag₁₆Al₁₆Si₂₄O₈₀·16H₂O, Ag-NAT) in the presence of different pressure transmitting mediums (PTMs), such as N₂, O₂ and CH₄, up to ~8 GPa and 250 °C using in situ synchrotron X-ray powder diffraction and Rietveld refinement. Pressure-induced insertion occurs in two stages in the case of N₂ and O₂ runs, as opposed to the CH₄ run. First changes of the unit cell volume in N₂, O₂ and CH₄ runs are observed at 0.88(5) GPa, 1.05(5) GPa and 1.84(5) GPa with increase of 5.7(1)%, 5.5(1)% and 5.7(1)%, respectively. Subsequent volume changes of Ag-natrolite in the presence of N₂ and O₂ appear at 2.15(5) GPa and 5.24(5) GPa with a volume increase of 0.8(1)% and a decrease of 3.0(1)%, respectively. The bulk moduli of the Ag-NAT change from 42(1) to 49(7), from 38(1) to 227(1) and from 49(3) to 79(2) in the case of N₂, O₂ and CH₄ runs, respectively, revealing that the Ag-NAT becomes more incompressible after each insertion of PTM molecules. The shape of the channel window of the Ag-NAT changes from elliptical to more circular after the uptake of N₂, O₂ and CH₄. Overall, the experimental results of Ag-NAT from our previous data and this work establish that the onset pressure exponentially increases with the molecular size. The unit cell volumes of the expanded (or contracted) phases of the Ag-NAT have a linear relationship and limit to maximally expand and contract upon pressure-induced insertion. Full article

(This article belongs to the Special Issue X-ray Diffraction of Functional Materials)

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8 pages, 15315 KiB

Open AccessArticle

Lattice Strain Evolutions in Ni-W Alloys during a Tensile Test Combined with Synchrotron X-ray Diffraction

by Tarik Sadat, Damien Faurie, Dominique Thiaudière, Cristian Mocuta, David Tingaud and Guy Dirras

Materials 2020, 13(18), 4027; https://0-doi-org.brum.beds.ac.uk/10.3390/ma13184027 - 11 Sep 2020

Cited by 3 | Viewed by 1773

Abstract

Ni and Ni(W) solid solution of bulk Ni and Ni-W alloys (Ni-10W, Ni-30W, and Ni-50W) (wt%) were mechanically compared through the evolution of their {111} X-ray diffraction peaks during in situ tensile tests on the DiffAbs beamline at the Synchrotron SOLEIL. A significant difference in terms of strain heterogeneities and lattice strain evolution occurred as the plastic activity increased. Such differences are attributed to the number of brittle W clusters and the hardening due to the solid solution compared to the single-phase bulk Ni sample. Full article

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9 pages, 2000 KiB

Open AccessArticle

Comparative Compressibility of Smectite Group under Anhydrous and Hydrous Environments

by Yongmoon Lee, Pyosang Kim, Hyeonsu Kim and Donghoon Seoung

Materials 2020, 13(17), 3784; https://0-doi-org.brum.beds.ac.uk/10.3390/ma13173784 - 27 Aug 2020

Cited by 3 | Viewed by 2361

Abstract

High-pressure synchrotron X-ray powder diffraction studies of smectite group minerals (beidellite, montmorillonite, and nontronite) reveal comparative volumetric changes in the presence of different fluids, as pressure transmitting media (PTM) of silicone oil and distilled water for anhydrous and hydrous environments at room temperature. Using silicone oil PTM, all minerals show gradual contraction of unit-cell volumes and atomistic interplane distances. They, however, show abrupt collapse near 1.0 GPa under distilled water conditions due to hydrostatic to quasi-hydrostatic environmental changes of water PTM around samples concomitant with the transition from liquid to ICE-VI and ICE-VII. The degrees of volume contractions of beidellite, montmorillonite, and nontronite up to ca. 3 GPa are ca. 6.6%, 8.9%, and 7.5% with bulk moduli of ca. 38(1) GPa, 31(2) GPa, and 26(1) GPa under silicone oil pressure, whereas 13(1) GPa, 13(2) GPa, and 17(2) GPa, and 17(1) GPa, 20(1) GPa, and 21(1) GPa under hydrostatic and quasi-hydrostatic environments before and after 1.50 GPa, respectively. Full article

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10 pages, 2301 KiB

Open AccessArticle

Structural Characterization and Comparison of Monovalent Cation-Exchanged Zeolite-W

by Donghoon Seoung, Hyeonsu Kim, Pyosang Kim, Chihyun Song, Suhyeong Lee, Sungmin Chae, Sihyun Lee, Hyunseung Lee and Yongmoon Lee

Materials 2020, 13(17), 3684; https://0-doi-org.brum.beds.ac.uk/10.3390/ma13173684 - 20 Aug 2020

Cited by 1 | Viewed by 1695

Abstract

We report comparative structural changes of potassium-contained zeolite-W (K-MER, structural analogue of natural zeolite merlinoite) and monovalent extra-framework cation (EFC)-exchanged M-MERs (M = Li⁺, Na⁺, Ag⁺, and Rb⁺). High-resolution synchrotron X-ray powder diffraction study precisely determines that crystal symmetry of MERs is tetragonal (I4/mmm). Rietveld refinement results reveal that frameworks of all MERs are geometrically composed of disordered Al/Si tetrahedra, bridged by linkage oxygen atoms. We observe a structural relationship between a group of Li-, Na-, and Ag-MER and the group of K- and Rb-MER by EFC radius and position of M(1) site inside double 8-membered ring unit (d8r). In the former group, a-axes decrease reciprocally, c-axes gradually extend by EFC size, and M(1) cations are located at the middle of the d8r. In the latter group, a- and c-axes lengths become longer and shorter, respectively, than axes of the former group, and these axial changes come from middle-to-edge migration of M(1) cations inside the d8r channel. Unit cell volumes of the Na-, Ag-, and K-MER are ca. 2005 Å³, and the volume expansion in the MER series is limited by EFC size, the number of water molecules, and the distribution of extra-framework species inside the MER channel. EFC sites of M(1) and M(2) show disordered and ordered distribution in the former group, and all EFC sites change to disordered distribution after migration of the M(1) site in the latter group. The amount of water molecules and porosities are inversely proportional to EFC size due to the limitation of volume expansion of MERs. The channel opening area of a pau composite building unit and the amount of water molecules are universally related as a function of cation size because water molecules are mainly distributed inside a pau channel. Full article

(This article belongs to the Special Issue X-ray Diffraction of Functional Materials)

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12 pages, 3294 KiB

Open AccessArticle

Piezoelectric Properties of Pb_1−xLa_x(Zr_0.52Ti_0.48)_1−x/4O₃ Thin Films Studied by In Situ X-ray Diffraction

by Thomas W. Cornelius, Cristian Mocuta, Stéphanie Escoubas, Luiz R. M. Lima, Eudes B. Araújo, Andrei L. Kholkin and Olivier Thomas

Materials 2020, 13(15), 3338; https://0-doi-org.brum.beds.ac.uk/10.3390/ma13153338 - 27 Jul 2020

Cited by 3 | Viewed by 1911

Abstract

The piezoelectric properties of lanthanum-modified lead zirconate titanate Pb_1−xLa_x(Zr_0.52Ti_0.48)_1−x/4O₃ thin films, with x = 0, 3 and 12 mol% La, were studied by in situ synchrotron X-ray diffraction under direct (DC) and alternating (AC) electric fields, with AC frequencies covering more than four orders of magnitude. The Bragg reflections for thin films with low lanthanum concentration exhibit a double-peak structure, indicating two contributions, whereas thin films with 12% La possess a well-defined Bragg peak with a single component. In addition, built-in electric fields are revealed for low La concentrations, while they are absent for thin films with 12% of La. For static and low frequency AC electric fields, all lanthanum-modified lead zirconate titanate thin films exhibit butterfly loops, whereas linear piezoelectric behavior is found for AC frequencies larger than 1 Hz. Full article

(This article belongs to the Special Issue X-ray Diffraction of Functional Materials)

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10 pages, 1868 KiB

Open AccessArticle

Direct Observations of the Structural Properties of Semiconducting Polymer: Fullerene Blends under Tensile Stretching

by Mouaad Yassine Aliouat, Dmitriy Ksenzov, Stephanie Escoubas, Jörg Ackermann, Dominique Thiaudière, Cristian Mocuta, Mohamed Cherif Benoudia, David Duche, Olivier Thomas and Souren Grigorian

Materials 2020, 13(14), 3092; https://0-doi-org.brum.beds.ac.uk/10.3390/ma13143092 - 10 Jul 2020

Cited by 1 | Viewed by 2360

Abstract

We describe the impact of tensile strains on the structural properties of thin films composed of PffBT4T-2OD π-conjugated polymer and PC₇₁BM fullerenes coated on a stretchable substrate, based on a novel approach using in situ studies of flexible organic thin films. In situ grazing incidence X-ray diffraction (GIXD) measurements were carried out to probe the ordering of polymers and to measure the strain of the polymer chains under uniaxial tensile tests. A maximum 10% tensile stretching was applied (i.e., beyond the relaxation threshold). Interestingly we found different behaviors upon stretching the polymer: fullerene blends with the modified polymer; fullerene blends with the 1,8-Diiodooctane (DIO) additive. Overall, the strain in the system was almost twice as low in the presence of additive. The inclusion of additive was found to help in stabilizing the system and, in particular, the π–π packing of the donor polymer chains. Full article

(This article belongs to the Special Issue X-ray Diffraction of Functional Materials)

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9 pages, 3912 KiB

Open AccessArticle

Energy Conversion Capacity of Barium Zirconate Titanate

by Nawal Binhayeeniyi, Pisan Sukwisute, Safitree Nawae and Nantakan Muensit

Materials 2020, 13(2), 315; https://0-doi-org.brum.beds.ac.uk/10.3390/ma13020315 - 09 Jan 2020

Cited by 17 | Viewed by 2831

Abstract

In this study, we investigated the effect of zirconium content on lead-free barium zirconate titanate (BZT) (Ba(Zr_xTi_1−x)O₃, with x = 0.00, 0.01, 0.03, 0.05, and 0.08), which was prepared by the sol–gel method. A single-phase perovskite BZT was obtained under calcination and sintering conditions at 1100 °C and 1300 °C. Ferroelectric measurements revealed that the Curie temperature of BaTiO₃ was 399 K, and the transition temperature decreased with increasing zirconium content. At the Curie temperature, Ba(Zr_0.03Ti_0.97)O₃ with a dielectric constant of 19,600 showed the best performance in converting supplied mechanical vibration into electrical power. The experiments focused on piezoelectric activity at a low vibrating frequency, and the output power that dissipated from the BZT system at 15 Hz was 2.47 nW (30 MΩ). The prepared lead-free sol–gel BZT is promising for energy-harvesting applications considering that the normal frequencies of ambient vibration sources are less than 100 Hz. Full article

(This article belongs to the Special Issue X-ray Diffraction of Functional Materials)

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