Article
Chemistry, Physical
Chris M. Fancher
Summary: Crystallographic textures play a crucial role in the functional properties of ferroelectrics, with inducing preferred grain texture being a viable route to improve these properties. X-ray and neutron diffraction are valuable tools for probing crystallographic textures in electroceramics, with qualitative and quantitative methods being discussed in this paper.
Article
Materials Science, Multidisciplinary
F. F. Conde, G. G. Ribamar, J. D. Escobar, A. L. Jardini, M. F. Oliveira, J. P. Oliveira, J. A. Avila
Summary: Maraging steel is sensitive to the precipitation of intermetallics during aging heat treatments. This study used EBSD to analyze the microstructures of maraging steel and found that solubilization of the steel resulted in a more homogeneous microstructure with new grain boundaries. Tempering heat treatments relieved martensite strain and increased band contrast values. Aging had a minimal impact on the EBSD analysis results.
MATERIALS CHARACTERIZATION
(2023)
Article
Chemistry, Multidisciplinary
Nathan E. Peterson, Chris M. Fancher, Matthias Frontzek, Jeffrey Bunn, Andrew Payzant, Ke An, Sean Agnew
Summary: This article presents data collection and analysis strategies for crystallographic texture measurements using two recently upgraded neutron diffractometers. The results show that the texture data obtained from different instruments are consistent, and WAND(2) is more time efficient than HIDRA.
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2022)
Article
Multidisciplinary Sciences
Michael Chapman, Marc De Graef, Richard D. James, Xian Chen
Summary: The article introduces a scheme for assigning martensite variant in martensite materials undergoing solid-solid phase transformation using electron backscatter diffraction. It offers an algorithm to assign martensite variants to specific microscopic regions and to check the elastic compatibility of microstructures in shape memory alloys with low hysteresis and high reversibility. This study is part of the theme issue on mathematical design of complex materials.
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
(2021)
Article
Materials Science, Multidisciplinary
Rafael de Moura Nobre, Willy Ank de Morais, Matheus Tavares Vasques, Jhoan Guzman, Daniel Luiz Rodrigues Junior, Henrique Rodrigues Oliveira, Railson Bolsoni Falcao, Fernando Jose Gomes Landgraf
Summary: This study investigates the influence of laser power and scanning speed on microstructure and crystallographic texture formation of Nb-48Ti alloy fabricated using laser powder bed fusion process. Higher values of power and scanning speed favor an increase of near-cube-on-face texture and a reduction in Young's modulus.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2021)
Article
Materials Science, Multidisciplinary
Taotao Li, Ruifeng Li, Tao Chang, Xinning Ye, Fengjiang Wang
Summary: Fiber laser welding of pure Zr R60702 was conducted, resulting in joint composition with various zones like base metal, heat affected zones, and weld zone. The highest hardness was found in the weld zone with unique microstructures observed. Texture evolution varied in the different zones, indicating distinct crystal textures and grain distributions.
MATERIALS CHARACTERIZATION
(2021)
Article
Chemistry, Multidisciplinary
Miroslav Slouf, Radim Skoupy, Ewa Pavlova, Vladislav Krzyzanek
Summary: A novel SEM method called 4D-STEM/PNBD was introduced for fast and simple analysis of nanocrystalline materials, by combining individual diffraction patterns into a composite powder diffraction pattern. This method enables the analysis of materials with random orientation of nanocrystals and has been successfully applied to different systems with comparable results to traditional TEM/SAED analysis.
Article
Chemistry, Multidisciplinary
Matthew R. Rowles
Summary: The study examines the impact of the quality of X-ray powder diffraction data and the number and type of refinable parameters on quantitative phase analysis using the Rietveld method. Based on the analysis of specimens, recommendations are proposed for minimum standards of data collection and analysis to assist new users in their analyses.
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2021)
Article
Materials Science, Multidisciplinary
Merve Nur Dogu, Kemal Davut, Muhannad Ahmed Obeidi, Mustafa Alp Yalcin, Hengfeng Gu, Thaddeus Song En Low, Jon Ginn, Dermot Brabazon
Summary: The recrystallization and grain growth behavior of IN718 alloy manufactured by laser powder bed fusion were studied. The texture evolution of the samples under different temperatures and holding times was investigated, and it was found that the formation of recrystallization nuclei was related to high defect density regions, while the presence of non-coherent precipitates limited the growth of recrystallized grains.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2022)
Article
Physics, Applied
Jayanta Bhattacharjee, Archna Sagdeo, S. D. Singh
Summary: By studying β-(AlxGa1-x)(2)O-3 alloys, it was found that the proportion of Al atoms occupying octahedral atomic sites increases with the increase of Al composition, even though these sites are not fully occupied even at an Al composition of 90%. The lattice parameters and bandgap of the alloy show a linear relationship with Al composition, but a change in slope is observed at an Al composition of approximately 50%. Lattice distortion and significant change in bond angles are observed for Al composition exceeding 50%. These findings provide valuable insights into the physical properties of β-(AlxGa1-x)(2)O-3 alloys.
APPLIED PHYSICS LETTERS
(2022)
Article
Crystallography
Kenneth D. M. Harris
Summary: This article provides an overview of the potential and advantages of using solid-state NMR data to assist and enhance the process of crystal structure determination from powder XRD data, with a focus on organic molecular materials.
Article
Chemistry, Multidisciplinary
Petr Brazda, Mariana Klementova, Yasar Krysiak, Lukas Palatinus
Summary: The determination of lattice parameters in 3D electron diffraction data is complicated by various distortions, with the optical elements of the microscope being the most significant problem. In addition to the known distortions, such as barrel-pincushion, spiral, and elliptical distortions, a new distortion called parabolic distortion is observed in the data. The distortions, except for the elliptical distortion, can be determined from a single 3D ED data set. The accuracy of lattice parameter ratios is about 0.1%, and the accuracy of angles is better than 0.03 degrees.
Article
Materials Science, Multidisciplinary
A. E. Davis, J. Donoghue, J. R. Kennedy, N. Byres, P. B. Prangnell
Summary: In-situ cooling experiments were conducted on Ti64 samples for the first time, revealing the development of alpha colonies. Primary alpha laths play a crucial role in influencing subsequent colony growth and transformation process by nucleating secondary alpha laths through sympathetic autocatalysis.
Article
Materials Science, Multidisciplinary
T. Nakata, C. Xu, R. Abe, L. Geng, S. Kamado
Summary: The reheating at high temperature was used to control the textural features in a rolled Mg-Zn-Ca-Mn alloy sheet. Reheating at 450 degrees C caused grain coarsening, leading to the formation of double twinning and shear bands during rolling. Unexpectedly, the basal texture became strong due to the non-uniformly distributed dislocations. On the other hand, reheating at 350 degrees C resulted in uniform deformation-microstructure and apparent texture weakening during post-annealing.
MATERIALS CHARACTERIZATION
(2023)
Article
Plant Sciences
Rebekah Miller, Susan Duncan, Yun Yin, Bo Zhang, Jacob Lahne
Summary: A validated texture analysis method is needed to evaluate the quality of frozen or cooked legumes, but currently it is not established in the literature. This study investigated peas, lima beans, and edamame after different processing treatments, using compression and puncture analysis. The results showed differences in texture between legumes and processing methods, with compression analysis being more sensitive. Implementing a standard texture method for legume vegetables would support efficient production of high-quality legumes.
FRONTIERS IN PLANT SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Simon Payne, Iryna Andrusenko, Francesco Papi, Jason Potticary, Mauro Gemmi, Simon R. R. Hall
Summary: The pure phase syntheses of three novel organic charge transfer complexes, obtained by combining triphenylene with TCNQ and its fluorinated derivatives, are reported. The crystal structures of these complexes are determined using 3D electron diffraction. The degree of charge transfer is estimated via examining intramolecular vibrational mode displacements between TCNQF(n) and its complexes with triphenylene using infrared spectroscopy. The direct optical band gaps of the complexes are determined using diffuse reflectance spectroscopy. The study sheds light on compelling charge transfer systems and provides indications for improved electrical organic conductors design.
Article
Chemistry, Physical
Alessandro Ponti, Claudia Triolo, Beatrix Petrovicova, Anna M. Ferretti, Gioele Pagot, Wenlei Xu, Vito Di Noto, Nicola Pinna, Saveria Santangelo
Summary: High-entropy oxide nanofibers with interconnected strain-free single crystals and a porous structure were prepared through electrospinning and calcination. The cation distributions and oxidation states were analyzed, and it was found that replacing magnetic cations with non-magnetic ones resulted in a lower critical temperature and the appearance of a reentrant spin-glass-like state.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Alessandro Marchetti, Alessandro Gori, Anna Maria Ferretti, Daniel Arenas Esteban, Sara Bals, Claudia Pigliacelli, Pierangelo Metrangolo
Summary: Finite 3D structures with controlled morphology can be achieved in the out-of-equilibrium self-assembly of Au NPs using a spherical peptide-gold superstructure (PAuSS) as a template, resulting in a transient 3D-branched Au-nanoshell (BAuNS) stabilized by sodium dodecyl sulphate (SDS). The BAuNS dismantles and regresses to PAuSS through equilibrium of SDS concentration gradient over time in the sample solution, causing NP disassembly. The assembly and disassembly of BAuNS promote temporary interparticle plasmonic coupling, enabling reversible and tunable changes in their plasmonic properties, which is highly desirable for the development of optoelectronic nanodevices.
Article
Chemistry, Multidisciplinary
Iryna Andrusenko, Charlie L. Hall, Enrico Mugnaioli, Jason Potticary, Simon R. Hall, Werner Schmidt, Siyu Gao, Kaiji Zhao, Noa Marom, Mauro Gemmi
Article
Engineering, Biomedical
Vincenzo Iannotti, Giovanni Ausanio, Anna M. Ferretti, Zaheer Ud Din Babar, Vincenzo Guarino, Luigi Ambrosio, Luciano Lanotte
Summary: This study used the electrospinning technique to produce polycarbonate urethane nanofibers incorporating magnetic particles. The aggregation and distribution of the magnetic nanoparticles within the nanofibers varied due to their different sizes. The magnetic response of the fiber mats was consistent with the morphology and polydispersity index of the embedded magnetic particles. By controlling the average size and polydispersity index of the magnetic particles, the magnetic properties can be modulated to design magneto-active systems for different applications.
JOURNAL OF FUNCTIONAL BIOMATERIALS
(2023)
Article
Chemistry, Physical
Ralph Freund, Arianna E. Lanza, Stefano Canossa, Mauro Gemmi, Joanna Goscianska, Valentina Cauda, Martin Oschatz, Stefan Wuttke
Summary: Metal-organic frameworks (MOFs) with controllable porous structures have been extensively studied, but achieving three-dimensional (3D) morphological control is still a challenge. This study investigates the conversion of zinc oxide nanowires into MOFs with the same morphology and applies the knowledge to generate complex 3D structures. It also shows the potential of this approach in accessing new MOF structures. The study highlights the importance of understanding the MO-to-MOF conversion for fabricating MOF materials with precisely tailored morphology.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Physical
Lorenza Romagnoli, Andrea D'Annibale, Elena Blundo, Atanu Patra, Antonio Polimeni, Daniele Meggiolaro, Iryna Andrusenko, Danilo Marchetti, Mauro Gemmi, Alessandro Latini
Summary: A new one-dimensional hybrid iodoplumbate with excellent thermal stability and resistance to water and oxygen is reported for the first time. It exhibits strong visible fluorescence under UV irradiation and forms an efficient light-emitting material when combined with PbI2. Extensive characterization and theoretical calculations reveal its potential for applications in light-emitting and photovoltaic devices.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Physical
Giorgio Molteni, Alessandro Ponti
Summary: In this study, the accuracy of predicting the regioselectivity of uncatalyzed thermal azide 1,3-DCs using DFT calculations was investigated. Benchmark data was established and compared with results obtained using density functional approximations (DFAs). The study identified the key features for accurate regioselectivity and suggested potential improvements for future research.
Article
Multidisciplinary Sciences
Yu-Jen Chou, Konstantin B. Borisenko, Partha Pratim Das, Stavros Nicolopoulos, Mauro Gemmi, Angus I. Kirkland
Summary: This study investigated the influence of precession angle, energy filtering, and sample thickness on the structural parameters of amorphous SiO2 thin films. The results showed that peak positions in the electron reduced density functions were generally unaffected by the experimental conditions, while peak heights were significantly influenced by both precession angle and energy filtering. It was also observed that introducing precession with small angles and energy filtering resulted in higher coordination numbers closer to the expected theoretical values for Si and O.
Article
Chemistry, Physical
Aarya Prabhakaran, Balaji Dhanabalan, Iryna Andrusenko, Andrea Pianetti, Simone Lauciello, Mirko Prato, Sergio Marras, Pavlo Solokha, Mauro Gemmi, Sergio Brovelli, Liberato Manna, Milena P. Arciniegas
Summary: Organic-inorganic Pb-free layered perovskites are efficient broadband emitters, making them promising materials for lighting applications. However, their synthetic protocols have limitations, such as requiring controlled atmosphere, high temperature, and long preparation time. In this study, a set of Sn-Br layered perovskite-related structures with different chromaticity coordinates and photoluminescence quantum yield (PLQY) were developed through a simple synthetic protocol performed under air and at 4 degrees C. These structures displayed diverse optical properties while preserving the organic-inorganic layer intercalation, providing insight into tuning the color coordinates of Pb-free layered perovskites through organic cations.
ACS ENERGY LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Claudia Triolo, Kaveh Moulaee, Alessandro Ponti, Gioele Pagot, Vito Di Noto, Nicola Pinna, Giovanni Neri, Saveria Santangelo
Summary: Defect-engineering is a viable strategy to improve the activity of nanocatalysts for the oxygen evolution reaction (OER). In this study, high-entropy spinel oxide nanofibers with different compositions were prepared and evaluated as electrocatalysts for OER. The results showed that the morphology, crystallinity, inversion degree, cation distribution, and oxygen-vacancy concentration of the fibers have complex effects on the electrochemical properties.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Francesco Bertocchi, Danilo Marchetti, Sandra Doria, Mariangela di Donato, Cristina Sissa, Mauro Gemmi, Enrico Dalcanale, Roberta Pinalli, Andrea Lapini
Summary: Our study investigates the impact of hydrogen bond-assisted H-aggregate formation on the optical properties of two functionalized naphthyridine derivatives, ODIN-EtPh and ODIN-But. Through a combination of techniques including X-ray and electron crystallography, spectroscopy, and pump-probe spectroscopy, we reveal that the formation of dimers for ODIN derivatives is inhibited in polar solvents while favored in solvents with poor hydrogen bond-forming capabilities. The presence of a phenyl group linked to the ureidic unit stabilizes the charge-transfer excited state of ODIN derivatives, leading to a reduction in fluorescence emission.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Claudia Triolo, Mariam Maisuradze, Min Li, Yanchen Liu, Alessandro Ponti, Gioele Pagot, Vito Di Noto, Giuliana Aquilanti, Nicola Pinna, Marco Giorgetti, Saveria Santangelo
Summary: High-entropy oxides with vacant lattice sites have great potential as anode materials for lithium-ion batteries. In this study, electrospun oxygen-deficient (Mn,Fe,Co,Ni,Zn) HEO nanofibers were produced and evaluated as anode active material. The lithium insertion, cation migration, and metal-forming conversion process were investigated, revealing that the reduction of cations to the metallic form is not complete. Partially reversible crystal phase transitions were also observed.
Article
Chemistry, Multidisciplinary
Alessandro Ponti, Alessandra Silvani, Giorgio Molteni
Summary: Deuterium incorporation in the 5-substituted pyrazoles suggests the intermediacy of copper(i)-complexed alkynylhydrazones in the copper(i)-catalysed reaction between chlorohydrazones and terminal acetylenes. The obtainment of pyrazoles and/or alkynylhydrazones varies depending on the reaction conditions, as the efficiency of the complexation is influenced by both the chlorohydrazone and solvent. Copper(i)-complexed alkynylhydrazone intermediates are believed to be pivotal in the proposed catalytic cycle.
NEW JOURNAL OF CHEMISTRY
(2023)