Article
Multidisciplinary Sciences
Zhen Chen, Yi Jiang, Yu-Tsun Shao, Megan E. Holtz, Michal Odstrcil, Manuel Guizar-Sicairos, Isabelle Hanke, Steffen Ganschow, Darrell G. Schlom, David A. Muller
Summary: Transmission electron microscopes use electrons with wavelengths of a few picometers to potentially image individual atoms in solids, but their image resolution is often reduced by lens aberrations and electron scattering. By using electron ptychography to solve these issues, researchers have achieved higher image resolution and precision in locating embedded atoms.
Article
Chemistry, Physical
Cilaveni Goutham, Kinjarapu Venkata Ashok Kumar, Sai Santosh Kumar Raavi, Challapalli Subrahmanyam, Saket Asthana
Summary: This paper focuses on the analysis of the microstructure phase of titanium dioxide (TiO2) precursor in sodium bismuth titanate (Na0.5Bi0.5TiO3, NBT) ceramics and compares the effects of anatase and rutile TiO2 on the grain size, microstructure, crystal structure, and electrical properties of NBT ceramics. The results show that NBT ceramics prepared with anatase TiO2 exhibit superior dielectric and ferro/piezoelectric properties, as well as additional photocatalytic functionality.
JOURNAL OF MATERIOMICS
(2022)
Article
Chemistry, Physical
Asma A. Medjahed, Tao Zhou, Juan Camilo Alvarez Quiceno, Pia Dally, Pascal Pochet, Tobias U. Schulli, David Djurado, Peter Reiss, Stephanie Pouget
Summary: This study investigates the mechanisms of strain and texture observed in MAPbI(3) thin films deposited on various oxide substrates. The results show that the strain of the perovskite layers is essentially relaxed behavior, contradicting the commonly accepted hypothesis. The texture in the perovskite layers is studied using synchrotron full-field diffraction X-ray microscopy, and the stability of different orientations is analyzed by DFT calculations.
ADVANCED ENERGY MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Chang-Feng Wang, Haojin Li, Mao-Guang Li, Yu Cui, Xin Son, Qin-Wen Wang, Jia-Ying Jiang, Miao-Miao Hua, Qi Xu, Kui Zhao, Heng-Yun Ye, Yi Zhang
Summary: This study demonstrates the integration of ferroelectricity and X-ray detection property in hybrid bromide double perovskites for the first time. The authors successfully developed a novel lead-free iodide double perovskite for high-performance X-ray sensitive ferroelectric devices, showing promising X-ray response and excellent ferroelectric properties.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Materials Science, Ceramics
Z. H. Ren, Aditya Jain, L. N. Shi, H. Z. Zhou, F. G. Chen, Y. G. Wang
Summary: In this work, Bi non-stoichiometry is used to optimize the photostriction performance by controlling the oxygen vacancy concentration and the ferroelectric to relaxor phase transition temperature. The increase of Bi non-stoichiometry decreases the oxygen vacancy concentration, allowing for more effective interaction between the photo-generated carriers and the lattice, resulting in large photostriction and high photostriction efficiency. Moreover, the Bi non-stoichiometry induces the decrease of the TF-R and the decoupling of the A-O bond, which increases the polarizability of the unit cell and optimizes the photostriction macroscopically.
CERAMICS INTERNATIONAL
(2023)
Article
Materials Science, Ceramics
Ge Wang, Anton Goetzee-Barral, Zhilun Lu, Dean S. Keeble, David A. Hall
Summary: The local symmetry of (1-x)Na0.5Bi0.5TiO3-xKNbO3 (NBT-xKN, x = 0.01-0.07) ceramics was examined using high-energy synchrotron x-ray scattering and analysed with the pair distribution function (PDF) method. The structure of NBT-xKN ceramics was found to be best refined at room temperature with monoclinic C1c1 structures within the local range and rhombohedral R3c structures within the medium range.
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
(2021)
Article
Chemistry, Physical
Burak Guzelturk, Thomas Winkler, Tim W. J. Van de Goor, Matthew D. Smith, Sean A. Bourelle, Sascha Feldmann, Mariano Trigo, Samuel W. Teitelbaum, Hans-Georg Steinruck, Gilberto A. de la Pena, Roberto Alonso-Mori, Diling Zhu, Takahiro Sato, Hemamala Karunadasa, Michael F. Toney, Felix Deschler, Aaron M. Lindenberg
Summary: Diffuse X-ray scattering with femtosecond resolution reveals the formation and relaxation of polaronic distortions in halide perovskites. These structural changes are quantified and correlated to transient changes in carrier effective mass.
Article
Multidisciplinary Sciences
Chao-Ran Huang, Xuzhong Luo, Xiao-Gang Chen, Xian-Jiang Song, Zhi-Xu Zhang, Ren-Gen Xiong
Summary: The study introduces the first lead-free 2D HOIP multiaxial ferroelectric, which displays more ferroelectric axes and equivalent polarization directions than other 2D HOIP ferroelectrics and lead-free inorganic perovskite BaTiO3. The new material features a high Curie temperature and remarkable thermochromism, offering a new direction for the development of lead-free 2D HOIP ferroelectrics.
NATIONAL SCIENCE REVIEW
(2021)
Article
Chemistry, Multidisciplinary
Florian Massuyeau, Thibault Broux, Florent Coulet, Aude Demessence, Adel Mesbah, Romain Gautier
Summary: This article introduces a machine learning-based method that utilizes X-ray diffraction patterns to automatically determine whether unknown materials are perovskite-type materials, providing a new efficient approach for determining crystal structures.
ADVANCED MATERIALS
(2022)
Article
Materials Science, Ceramics
V. Sedykh, V. Rusakov, O. Rybchenko, A. Gapochka, K. Gavrilicheva, O. Barkalov, S. Zaitsev, V. Kulakov
Summary: The changes in substituted La0.5Sr0.5FeO3_ & gamma; orthoferrite under vacuum annealing in the temperature range of 200-650°C were investigated using X-ray diffraction, Mössbauer spectroscopy, and Raman spectroscopy. The annealing process resulted in a transition from rhombohedral to cubic structure at 650°C. The presence of oxygen vacancies and Fe4+ ions in the local environment of Fe3+ ions contributed to the variations observed in the Mössbauer spectra.
CERAMICS INTERNATIONAL
(2023)
Article
Materials Science, Multidisciplinary
Simone Dolabella, Alexandre Reinhardt, Ausrine Bartasyte, Samuel Margueron, Amit Sharma, Xavier Maeder, Alex Dommann, Antonia Neels, Aurelio Borzi
Summary: This study aims to understand the physics of the recrystallization process of CIS-damaged LNO crystal upon thermal annealing. The recovery of the crystallinity from the CIS-induced lattice strain and stress, as well as the progressive reduction of the defects clusters dimension, were studied using high-resolution X-ray diffraction, micro-Raman backscattering spectroscopy, and Transmission Electron Microscopy (TEM).
MATERIALS & DESIGN
(2023)
Article
Materials Science, Multidisciplinary
Jiaming Li, Enwei Sun, Yaping Ma, Huashan Zheng, Hua Zhao, Zhiguo Zhang
Summary: This study proposes a method to quantitatively characterize the phase transition processes of ferroelectric materials using fluorescence wavelength shift, demonstrating exact consistency between changes in fluorescence peak positions and structural phase transitions. The contactless, non-destructive fluorescence method provides localized quantitative analysis for phase transition processes in ferroelectric materials. The method based on fluorescence peak wavelength dependence on crystal environment may potentially be applied to characterize phase transitions in other ferroelectric materials.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2021)
Article
Chemistry, Physical
Mi Chen, Shili Zhan, Qibin Yuan, Yixuan Li, Ying Lin, Haibo Yang
Summary: Lead-free ceramics (1-x)Na0.5Bi0.5TiO3-x(Sr0.7Bi0.2)(Ti0.8Zr0.2)O3((1-x)NBT-xSBTZ) with good energy storage properties were fabricated, exhibiting substantial energy density and stability at low electric fields. The 0.70NBT-0.30SBTZ ceramic showed excellent temperature and frequency stability, as well as high power density and fast discharge speed. This research expands the potential applications of ceramic capacitors operating in low electric fields.
MATERIALS TODAY ENERGY
(2023)
Article
Optics
Adi Natan
Summary: Ultrafast scattering using x-rays or electrons allows for studying structure dynamics at the atomic scale in both space and time. However, the inherent limitations of detectors and probe energy make it challenging to directly resolve atomic motions in real space. This study proposes a model-free approach that overcomes the diffraction limit and enables the direct resolution of scattering signals in real space. Experimental and simulated data demonstrate the effectiveness of the approach in recovering sub-angstrom atomic motions and discuss its potential for high-resolution real-space characterization of atomic-scale structure dynamics.
Article
Materials Science, Multidisciplinary
Thi Hinh Dinh, Jae-Shin Lee
Summary: An investigation on ternary lead-free Na0.5Bi0.5TiO3-SrTiO3-ABO(3) piezoceramics reveals that the addition of ABO(3) affects the phase transition temperature and ferroelectric order of the materials. Microwave sintering method shows potential for creating lead-free piezoactuator materials with high performance.
Article
Chemistry, Inorganic & Nuclear
Matthew S. Chambers, Dean S. Keeble, Dean Fletcher, Joseph A. Hriljac, Zoe Schnepp
Summary: The sol-gel synthesis of iron carbide nanoparticles involves the formation of multiple intermediate crystalline phases, with challenges in controlling particle size. Understanding the evolution of the system during synthesis is crucial for the wide range of applications of Fe3C nanoparticles. The importance of intermediate phases in controlling particle size has been demonstrated in this study, which is the first example of in situ total scattering analysis of a sol-gel system.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Bikash Kumar Shaw, Ashlea R. Hughes, Maxime Ducamp, Stephen Moss, Anup Debnath, Adam F. Sapnik, Michael F. Thorne, Lauren N. McHugh, Andrea Pugliese, Dean S. Keeble, Philip Chater, Juan M. Bermudez-Garcia, Xavier Moya, Shyamal K. Saha, David A. Keen, Francois-Xavier Coudert, Frederic Blanc, Thomas D. Bennett
Summary: Research has shown that a series of dicyanamide-based hybrid organic-inorganic perovskite structures can melt at temperatures below 300 degrees C, forming glasses with coordination bonding that exhibit very low thermal conductivities, moderate electrical conductivities, and polymer-like thermomechanical properties.
Article
Chemistry, Multidisciplinary
Joshua M. Stratford, Annette K. Kleppe, Dean S. Keeble, Philip A. Chater, Seyyed Shayan Meysami, Christopher J. Wright, Jerry Barker, Maria-Magdalena Titirici, Phoebe K. Allan, Clare P. Grey
Summary: Hard carbons are the primary candidate anode materials for sodium-ion batteries, with the sodium-insertion mechanisms and local atomic environments still being debated. Research findings indicate that the local structure of carbons is described by bilayers of curved graphene fragments, with fragment size and curvature correlated with storage capacity. Different hard carbons show variations in performance at high and low voltages, suggesting that the impact of local atomic structure and microstructure on storage capacity should be considered when engineering these materials.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Multidisciplinary
Uriel Vaknin, Dov Sherman, Semen Gorfman
Summary: The study of cleavage energy is important for understanding material strength and ductility as well as preventing device failures. A simplified method (GALOCS) has been proposed to predict the most promising cleavage planes by evaluating the width and depth of planar gaps.
Article
Chemistry, Physical
Alice M. Bumstead, Ignas Pakamore, Kieran D. Richards, Michael F. Thorne, Sophia S. Boyadjieva, Celia Castillo-Blas, Lauren N. McHugh, Adam F. Sapnik, Dean S. Keeble, David A. Keen, Rachel C. Evans, Ross S. Forgan, Thomas D. Bennett
Summary: Melt-quenched metal-organic framework (MOF) glasses have been developed, and the surface properties of these glasses can be tuned by post-synthetic modification (PSM).
CHEMISTRY OF MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Semen Gorfman, David Spirito, Guanjie Zhang, Carsten Detlefs, Nan Zhang
Summary: Twinning is a common crystallographic phenomenon that affects the physical properties of materials. However, there is a lack of experimental methods for studying twin domain patterns. This paper presents a theoretical framework and algorithm for the recognition of ferroelastic domains and the identification of the coherent twin relationship.
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(2022)
Article
Chemistry, Multidisciplinary
Emily L. Arnold, Dean S. Keeble, J. P. O. Evans, Charlene Greenwood, Keith D. Rogers
Summary: This study compares the structural characteristics of hydroxyapatite obtained from a conventional X-ray diffractometer with those obtained from a dedicated pair distribution function (PDF) beamline. The application of PDF analysis methods to carbonated hydroxyapatite is evaluated, and the relationship between real-space refinement parameters and carbonate substitution is examined. Understanding the local order of synthetic hydroxyapatite has implications in biomedical and clinical settings.
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY
(2022)
Article
Materials Science, Multidisciplinary
Martin E. Stiehler, Nikolaos T. Panagiotopoulos, Dean S. Keeble, Yurii P. Ivanov, Melita Menelaou, Mark R. Jolly, A. Lindsay Greer, Konstantinos Georgarakis
Summary: The effect of substituting Cu with Ni or Co on the atomic structure of the Zr60Cu30Al10 ternary bulk metallic glass is investigated. The substitution leads to an increase in structural disorder, which is consistent with the confusion principle. Despite their similar atomic size, the addition of Ni or Co has different effects on the thermal stability of the alloy.
MATERIALS TODAY COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Jette K. Mathiesen, Espen D. Bojesen, Jack K. Pedersen, Emil T. S. Kjaer, Mikkel Juelsholt, Susan Cooper, Jonathan Quinson, Andy S. Anker, Geoff Cutts, Dean S. Keeble, Maria S. Thomsen, Jan Rossmeisl, Kirsten M. O. Jensen
Summary: By carefully selecting additives in nanoparticle synthesis, the morphology and structure of intermetallic PdCu NPs can be controlled. This study reveals that the formation of stoichiometric intermetallic NPs is not solely determined by standard reduction potential matching and coreduction mechanisms, but also driven by changes in the local chemistry. These findings open up new opportunities to expand the library of intermetallic NPs through synthesis by design.
Article
Chemistry, Multidisciplinary
Milica Vasiljevic, Marton Kollar, David Spirito, Lukas Riemer, Laszlo Forro, Endre Horvath, Semen Gorfman, Dragan Damjanovic
Summary: Organometallic lead halide perovskites exhibit a surprisingly high piezoelectric-like response due to the interplay of ionic motion and photoelectrons. This research reveals the significant impact of ionic activity on material properties and offers a method to control the piezoelectric effect.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Chemistry, Inorganic & Nuclear
Emily L. Arnold, Sarah Gosling, Samantha K. Davies, Hannah L. Cross, Paul Evans, Dean S. Keeble, Charlene Greenwood, Keith D. Rogers
Summary: This study analyzes the local structure of synthetic hydroxyapatite samples using X-ray total scattering, providing a better understanding of its nanocrystalline nature. The results demonstrate a significant relationship between time and temperature during heat treatment, suggesting a process occurring slower than thermal expansion. This research has implications for various sectors, including forensic, biomedical, and clinical settings, particularly in the study of implant coatings and bone diseases.
JOURNAL OF SOLID STATE CHEMISTRY
(2022)
Correction
Materials Science, Multidisciplinary
F. Cordero, F. Craciun, F. Trequattrini, C. Galassi, P. A. Thomas, D. S. Keeble, A. M. Glazer
Article
Chemistry, Physical
Haolai Tian, Guanqun Cai, Lei Tan, He Lin, Anthony E. Phillips, Isaac Abrahams, David A. Keen, Dean S. Keeble, Andy Fiedler, Junrong Zhang, Xiang Yang Kong, Martin T. Dove
Summary: This study investigates the structure and properties of the lithium-ion conducting solid electrolyte Li7La3Zr2O12 using neutron and X-ray scattering data, as well as molecular dynamics simulations. By analyzing the distribution of lithium ions at different temperatures, the researchers discover that only a small fraction of lithium ions are mobile and diffusion primarily occurs through movement between different sites.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Meeting Abstract
Chemistry, Multidisciplinary
F. C. Firth, Y. Wu, M. W. Gaultois, J. Stratford, D. S. Keeble, C. P. Grey, M. J. Cliffe
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(2021)
Article
Chemistry, Multidisciplinary
Michael F. Thorne, Adam F. Sapnik, Lauren N. McHugh, Alice M. Bumstead, Celia Castillo-Blas, Dean S. Keeble, Maria Diaz Lopez, Phillip A. Chater, David A. Keen, Thomas D. Bennett
Summary: An alternative route to glassy ZIFs via mechanically induced amorphisation allows for the production of various glassy ZIFs in under 30 minutes at room temperature, without the need for melt-quenching.
CHEMICAL COMMUNICATIONS
(2021)
