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975 items found (0 items not approved), displaying 1 to 10.[First/Prev] 1, 2, 3, 4, 5, 6, 7, 8 [Next/Last]

Instruments / Technical Area	Publication Details	Published
B18-Core EXAFS	K2Fe(C2O4)2: an oxalate cathode for Li/Na-ion batteries exhibiting a combination of multielectron cation and anion redox Atin Pramanik , Alexis G. Manche , Moulay Tahar Sougrati , Alan V. Chadwick , Philip Lightfoot , A. Robert Armstrong Chemistry Of Materials DOI: 10.1021/acs.chemmater.3c00063 Diamond Proposal Number(s): [25120] Open Access Show Abstract ▼ Abstract: The development of multielectron redox-active cathode materials is a top priority for achieving high energy density with long cycle life in the next-generation secondary battery applications. Triggering anion redox activity is regarded as a promising strategy to enhance the energy density of polyanionic cathodes for Li/Na-ion batteries. Herein, K2Fe(C2O4)2 is shown to be a promising new cathode material that combines metal redox activity with oxalate anion (C2O42–) redox. This compound reveals specific discharge capacities of 116 and 60 mAh g–1 for sodium-ion batterie (NIB) and lithium-ion batterie (LIB) cathode applications, respectively, at a rate of 10 mA g–1, with excellent cycling stability. The experimental results are complemented by density functional theory (DFT) calculations of the average atomic charges.	Mar 2023
I15-1-X-ray Pair Distribution Function (XPDF)	Order and disorder in cerium-rich ceria-zirconia solid solutions revealed from reverse Monte Carlo analysis of neutron and x-ray total scattering Aron Summer , Helen Y. Playford , Lewis R. Owen , Janet M. Fisher , Amy Kolpin , David Thompsett , Richard I. Walton Apl Materials 11 DOI: 10.1063/5.0139567 Diamond Proposal Number(s): [19053] Open Access Show Abstract ▼ Abstract: A reverse Monte Carlo analysis of neutron and x-ray total scattering data from two ceria-zirconia samples of composition Ce0.75Zr0.25O2 is performed to analyze the distribution of cations and to examine the possibility of oxide-ion disorder. For the first material, heated in air under moderate conditions (800 °C), the structure is a single-phase solid-solution with the statistical distribution of cations, but a local tetragonal symmetry is found, consistent with the different coordination preferences of Ce and Zr. For the second material, heated under H2 at 1050 °C followed by reoxidation at 400 °C, the structure shows a considerable disorder, with evidence for oxygen interstitials (Frenkel-ion defects) and a non-statistical distribution of cations with significantly higher concentrations of like–like cation nearest neighbors, highlighting the existence of cation-rich nano-domains. The results highlight the dynamic nature of this solid-solution, with structural evolution upon thermal treatment, which is of relevance to understanding its stability under redox catalytic conditions in practical applications.	Mar 2023
I19-Small Molecule Single Crystal Diffraction	A low-symmetry monothiatruxene-based hole transport material for planar n–i–p perovskite solar cells with 18.9% efficiency Ellie Tanaka , Gyu Min Kim , Michał R. Maciejczyk , Ayumi Ishii , Gary S. Nichol , Tsutomu Miyasaka , Neil Robertson Journal Of Materials Chemistry C 131 DOI: 10.1039/D3TC00119A Diamond Proposal Number(s): [22240] Open Access Show Abstract ▼ Abstract: Hole transport materials (HTMs) based on truxene cores have emerged as promising candidates in recent years. They are noted by properties such as higher hole mobility and higher glass transition temperature than the 2,2′,7,7′-tetrakis (N,N-di-p-methoxyphenamine)-9,9′-spirobiflourene (spiro-MeOTAD), as well as good hydrophobicity and energy alignment. Truxene derivatives have been studied for application in transistors, OLEDs, lasers, supercapacitors, etc., however, there are only a few studies on their use as HTMs in perovskite solar cells (PSCs). In this study, we synthesised a novel small organic molecule HTM with a monothiatruxene (TrxS) core, namely TrxS-2MeOTAD, and characterised its basic properties and ability as an HTM in n–i–p planar PSCs. The TrxS-2MeOTAD showed suitable electrochemical, optical, structural and thermal properties for an HTM, such as a relatively high glass transition temperature (145 °C) and stable amorphous nature when deposited as films. The PSCs using TrxS-2MeOTAD achieved 18.9% power conversion efficiency (PCE) compared to the reference spiro-MeOTAD at 19.3% PCE. The unencapsulated TrxS-2MeOTAD devices showed better operational stability than spiro-MeOTAD, with a 1.5 times longer lifetime under constant AM1.5G illumination. Our results suggest that small molecules based on the TrxS core can be a promising direction for the development of alternative HTMs.	Mar 2023
I12-JEEP: Joint Engineering, Environmental and Processing	Structure and physical properties of Mg93−xZnxCa7 metallic glasses Stefan Michalik , Zuzana Molčanová , Michaela Sulikova , Katarína Kušnírová , Pál Jóvári , Jacques Darpentigny , Karel Saksl Materials 16 DOI: 10.3390/ma16062313 Open Access Show Abstract ▼ Abstract: The Mg-Zn-Ca system has previously been proposed as the most suitable biodegradable candidate for biomedical applications. In this work, a series of ribbon specimens was fabricated using a melt-spinning technique to explore the glass-forming ability of the Mg-Zn-Ca system along the concentration line of 7 at.% of calcium. A glassy state is confirmed for Mg50Zn43Ca7, Mg60Zn33Ca7, and Mg70Zn23Ca7. Those samples were characterised by standard methods to determine their mass density, hardness, elastic modulus, and crystallisation temperatures during devitrification. Their amorphous structure is described by means of pair distribution functions obtained by high-energy X-ray and neutron diffraction (HEXRD and ND) measurements performed at large-scale facilities. The contributions of pairs Mg-Mg, Mg-Zn, and Zn-Zn were identified. In addition, a transformation process from an amorphous to crystalline structure is followed in situ by HEXRD for Mg60Zn33Ca7 and Mg50Zn43Ca7. Intermetallic compounds IM1 and IM3 and hcp-Mg phase are proposed to be formed in multiple crystallisation events.	Mar 2023
I12-JEEP: Joint Engineering, Environmental and Processing	Application of a new method for accurate determination of α and β texture in Ti-6Al-4 V from synchrotron diffraction intensities Christopher S. Daniel , Xiaohan Zeng , Stefan Michalik , Simon A. Hunt , Joao Quinta Da Fonseca Materials Characterization DOI: 10.1016/j.matchar.2023.112769 Diamond Proposal Number(s): [25682] Open Access Show Abstract ▼ Abstract: The crystallographic texture development during processing of dual-phase Ti alloys like Ti-6Al-4 V is of fundamental technological importance. However, measuring texture in both phases in these materials is a significant challenge because of the spatial inhomogeneity of the texture and low volume fraction of the minority β-phase at room temperature. Here we demonstrate how synchrotron X-ray diffraction can be used to overcome these difficulties and measure texture and texture variation in hot-rolled samples in a reproducible manner. The texture in hot-rolled Ti-64 was calculated from 2D synchrotron diffraction patterns obtained along different directions. The data was analysed using MAUD, which is based on Rietveld refinement of the diffracted intensities, and using a Fourier series based analysis method, that extracts intensities directly from the 2D diffraction patterns, and then uses the open-source software MTEX to fit an orientation distribution function (ODF). By comparing the results with faithful EBSD measurements, we show that the Fourier series method produces much more accurate texture measurements, especially for the minority β-phase. We also show that a minimum of 2, and preferably 3, different measurement orientations are needed to fully represent the texture. This implies that measurements of texture which rely on diffraction data from a single sample orientation, like in fast in-situ studies or spatially resolved measurements, can only provide qualitative information and must be interpreted with care.	Mar 2023
I22-Small angle scattering & Diffraction	Structuring supramolecular hyaluronan hydrogels via peptide self-assembly for modulating the cell microenvironment Yichen Yuan , Yejiao Shi , Jayati Banerjee , Amin Sadeghpour Dilmaghani , Helena S. Azevedo Materials Today Bio 12 DOI: 10.1016/j.mtbio.2023.100598 Diamond Proposal Number(s): [25037] Open Access Show Abstract ▼ Abstract: The use of synthetic extracellular matrices (ECMs) in fundamental in vitro cell culture studies has been instrumental for investigating the interplay between cells and matrix components. To provide cells with a more native environment in vitro, it is desirable to design matrices that are biomimetic and emulate compositional and structural features of natural ECMs. Here, the supramolecular fabrication of peptide-hyaluronan (HA) hydrogels is presented as promising ECM surrogates, combining HA and rationally designed cationic amphipatic peptides [(KI)nK, lysine (K), isoleucine (I), n = 2–6] whose mechanical properties and microstructure are tunable by the peptide sequence. (KI)nK peptides adopt β-sheet configuration and self-assemble into filamentous nanostructures triggered by pH or ionic strength. The self-assembly propensity of (KI)nK peptides increases with the sequence length, forming single phase hydrogels (shorter peptides) or with phase separation (longer peptides) in presence of the anionic polyelectrolyte HA through electrostatic complexations. The gel phase formed in (KI)nK-HA complexes exhibits viscoelastic behavior and triggers the formation of human mesenchymal stem cell (MSC) spheroids which disassemble over the time. It is anticipated that these (KI)nK-HA hydrogels with tunable physical and biochemical properties offer a promising platform for in vitro applications and in stem cell therapy.	Mar 2023
I15-Extreme Conditions	Relating microstructure to magnetocaloric properties in RE36Tb20Co20Al24 (RE = Gd, Dy or Ho) high-entropy metallic-glass microwires designed by binary eutectic clusters method Hangboce Yin , Jun-Qiang Wang , Yongjiang Huang , Hongxian Shen , Shu Guo , Hongbo Fan , Juntao Huo , Jianfei Sun Journal Of Materials Science & Technology 92 DOI: 10.1016/j.jmst.2022.12.008 Diamond Proposal Number(s): [17412] Show Abstract ▼ Abstract: The new high-entropy metallic glasses (HE-MGs) are designed by using Dy and Ho to replace Gd in Gd36Tb20Co20Al24 alloy based on the binary eutectic clusters method. Compared with the equiatomic Gd25Tb25Co25Al25 HE-MG, the non-equiatomic RE36Tb20Co20Al24 (RE = Gd, Dy, or Ho) alloys show better glass-forming ability, which is attributed to the deep binary eutectic compositions used for alloy design. All RE36Tb20Co20Al24 alloys undergo second-order magnetic transition. An extreme peak value of magnetic entropy change is obtained as 10.3 J kg–1 K–1 (5 T) for the Ho36Tb20Co20Al24 alloy. In-situ high-energy synchrotron X-ray diffraction was conducted to observe the microstructural difference among non-equiatomic samples at cryogenic temperatures. The results indicate that Gd36Tb20Co20Al24 alloy possesses a relatively large average value of the dispersion of local clusters at a low-temperature range. This, combined with the critical exponent β close to 0.5 of Gd36Tb20Co20Al24 alloy, leads to its widest working temperature span among non-equiatomic samples. This work successfully establishes the connection between microstructure and magnetocaloric properties of HE-MGs, which is beneficial for understanding the physical mechanism of the magnetocaloric behaviors of HE-MGs.	Feb 2023
E02-JEM ARM 300CF	nNPipe: a neural network pipeline for automated analysis of morphologically diverse catalyst systems Kevin P. Treder , Chen Huang , Cameron G. Bell , Thomas J. A. Slater , Manfred E. Schuster , Dogan Ozkaya , Judy S. Kim , Angus I. Kirkland Npj Computational Materials 9 DOI: 10.1038/s41524-022-00949-7 Diamond Proposal Number(s): [25427, 23814] Open Access Show Abstract ▼ Abstract: We describe nNPipe for the automated analysis of morphologically diverse catalyst materials. Automated imaging routines and direct-electron detectors have enabled the collection of large data stacks over a wide range of sample positions at high temporal resolution. Simultaneously, traditional image analysis approaches are slow and hence unsuitable for large data stacks and consequently, researchers have progressively turned towards machine learning and deep learning approaches. Previous studies often detail work on morphologically uniform material systems with clearly discernible features, limited workable image sizes and training data that may be biased due to manual labelling. The nNPipe data-processing method consists of two standalone convolutional neural networks that were exclusively trained on multislice image simulations and enables fast analysis of 2048 × 2048 pixel images. Inference performance compared between idealised and real industrial catalytic samples and insights derived from subsequent data analysis are placed into the context of an automated imaging scenario.	Feb 2023
I07-Surface & interface diffraction	Binary solvent system used to fabricate fully annealing-free perovskite solar cells Elena J. Cassella , Emma L. K. Spooner , Joel A. Smith , Timothy Thornber , Mary E. O'Kane , Robert D. J. Oliver , Thomas E. Catley , Saqlain Choudhary , Christopher J. Wood , Deborah B. Hammond , Henry J. Snaith , David G. Lidzey Advanced Energy Materials 8 DOI: 10.1002/aenm.202203468 Diamond Proposal Number(s): [30612] Open Access Show Abstract ▼ Abstract: High temperature post-deposition annealing of hybrid lead halide perovskite thin films—typically lasting at least 10 min—dramatically limits the maximum roll-to-roll coating speed, which determines solar module manufacturing costs. While several approaches for “annealing-free” perovskite solar cells (PSCs) have been demonstrated, many are of limited feasibility for scalable fabrication. Here, this work has solvent-engineered a high vapor pressure solvent mixture of 2-methoxy ethanol and tetrahydrofuran to deposit highly crystalline perovskite thin-films at room temperature using gas-quenching to remove the volatile solvents. Using this approach, this work demonstrates p-i-n devices with an annealing-free MAPbI3 perovskite layer achieving stabilized power conversion efficiencies (PCEs) of up to 18.0%, compared to 18.4% for devices containing an annealed perovskite layer. This work then explores the deposition of self-assembled molecules as the hole-transporting layer without annealing. This work finally combines the methods to create fully annealing-free devices having stabilized PCEs of up to 17.1%. This represents the state-of-the-art for annealing-free fabrication of PSCs with a process fully compatible with roll-to-roll manufacture.	Feb 2023
DL-SAXS-Offline SAXS and Sample Environment Development	Dynamic precipitation in supersaturated Al–Zn–Mg–Cu alloy during warm stretching Joseph Robson , Peter Jessner , Mark Taylor , Ziyu Ma Metallurgical And Materials Transactions 83 DOI: 10.1007/s11661-023-06962-9 Open Access Show Abstract ▼ Abstract: High-strength Al–Zn–Mg–Cu alloys such as AA7075 rely on precipitation to obtain their properties, and the evolution of these precipitates can be strongly influenced by deformation. In this study, the effect of warm stretching on precipitation in supersaturated AA7075 was investigated. A dilatometer was used to enable rapid quenching directly from the solution treatment temperature to the warm stretching temperature. The evolution of precipitates was monitored using small-angle X-ray scattering (SAXS) and transmission electron microscopy (TEM). SAXS revealed the presence of clusters only 5 seconds after quenching, and the subsequent evolution of the microstructure involved the growth and coarsening of these clusters. Deformation strongly enhanced the cluster/precipitate growth rate, which increased linearly with increasing strain. A strain rate effect was also noted, with the growth rate being faster at the higher strain rate for the same strain level. However, the acceleration of growth with increasing strain rate was not sufficient to compensate for the reduced time, so that deformation at higher strain rate led to small precipitates (at iso-strain). TEM revealed the precipitates to be homogeneously dispersed in the matrix both with and without deformation. There was no evidence for enhanced nucleation due to deformation, indeed the opposite was the case, with fewer but larger precipitates observed in the deformed microstructure. The linear increase in growth rate with strain is consistent with a dominant effect of excess vacancies in enhancing diffusion rates.	Feb 2023

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