Article
Materials Science, Multidisciplinary
Richard J. Wilbraham, Elizabeth A. Howett, Colin Boxall, David I. Hambley, Jessica K. Higgins
Summary: This paper presents a detailed study on the chemical and materials characterization of novel Simulated Spent Nuclear Fuels (SIMFuel) that replicate the state of Spent Nuclear Fuel (SNF) discharged from a UK Advanced Gas-cooled Reactor (AGR). The study evaluates the use of XPS, micro-Raman spectroscopy, and XRD in characterizing SIMFuels, and reveals the effects of lanthanide dopants on the UO2 bulk matrix. The findings suggest the presence of U(V) in the UO2 matrix as a means of charge compensation for the incorporation of Ln(III) states, and provide insights into the O/U ratios in SIMFuels.
JOURNAL OF NUCLEAR MATERIALS
(2022)
Article
Chemistry, Inorganic & Nuclear
Nicolas Zapp, Denis Sheptyakov, Alexandra Franz, Holger Kohlmann
Summary: Substituting hydrogen for oxygen atoms in metal oxides influences the solid-state properties, and holmium hydride oxide exhibits high thermal stability and inertness towards air, with an ordered fluorite superstructure.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Daniel Lueert, Christina M. Legendre, Regine Herbst-Irmer, Dietmar Stalke
Summary: This study reports the synthesis and magnetic properties of three mixed metal triimidosulfite based alkali-lanthanide-metal-cages, and demonstrates that preventing lithium chloride co-complexation can significantly enhance the performance of sulfur-nitrogen ligands. One of the complexes also exhibits butterfly-shaped hysteresis.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Samuel R. Baird, Emanuel Hupf, Ian C. Watson, Michael J. Ferguson, Eric Rivard
Summary: A tetramer shaped indium(I) organometallic compound supported by anionic N-heterocyclic olefin ligands is reported. The monomeric unit of this compound shows both Lewis acidic and basic properties at indium, and the steric profile of the N-heterocyclic olefin ligand enables the isolation of a rare monomeric imide.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Linda Klag, Abhijeet Gaur, Matthias Stehle, Sebastian Weber, Thomas L. Sheppard, Jan-Dierk Grunwaldt
Summary: This study systematically investigated the activity and selectivity of Bi-Mo-Co-Fe oxide catalysts in selective oxidation of isobutene. The results showed that the activity and selectivity of the catalysts depend on the variety and interaction of metal oxide phases, and the reducibility of Fe3+ is crucial for catalytic activity.
Article
Materials Science, Multidisciplinary
M. Saoudi, J. R. Hayes, J. Lang, A. P. Grosvenor, T. Do, J. Mouris
Summary: Oxidation experiments were conducted to investigate the oxidation behavior of thorium-uranium mixed oxides under controlled oxygen potential. The results showed that uranium and thorium were randomly distributed in the mixed oxides, and the long-range structure of the oxidized materials was consistent with the results from XRD and NDA. The oxidation of uranium to U4+ was confirmed by XPS and XANES analysis. EXAFS and NDA revealed the presence of different U-O bond lengths in the oxidized materials, and the materials with high UO2 content exhibited a biphasic structure.
JOURNAL OF NUCLEAR MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Emily Siska, Dean Smith, Ashkan Salamat, Keith V. Lawler, Barbara Lavina, Frederic Poineau, Paul M. Forster
Summary: The synthesis and phase stability of TcN, Tc2N, and a substoichiometric TcNx were demonstrated under high pressure and temperature conditions, with a previously unpredicted structure identified for TcN through crystal structure prediction.
CHEMICAL COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
V. Adimule, S. S. Nandi, B. C. Yallur, D. Bhowmik, A. H. Jagadeesha
Summary: The synthesis of Gd-doped Sr-x O: CdO nanostructures was successfully achieved via coprecipitation method, and the effect of Gd doping on optical, structural, morphological, and photoluminescence properties was investigated. It was found that Gd doping enhanced the photoluminescence properties of the nanoparticles, with Gd+3 ions randomly incorporated into the crystal structure, possibly in tetrahedral sites.
MATERIALS TODAY CHEMISTRY
(2021)
Article
Chemistry, Physical
D. Pukazhselvan, Ihsan Caha, Suresh Kumar Jakka, Vanessa C. D. Graca, Laura I. V. Holz, M. J. Soares, Andrei V. Kovalevsky, Francis Leonard Deepak, Duncan Paul Fagg
Summary: This study provides insights into the active catalytic species in ceria additive loaded hydrogen storage system, MgH2, through mechanical milling and cycling tests. In-situ X-ray diffraction and Raman spectroscopy studies confirm the interaction between MgH2 and CeO2, with evidence of reduced cerium oxides throughout the interactions. The CeHx/CeOx interfaces play a key role in suppressing the formation of MgO rock salt.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Materials Science, Multidisciplinary
Yuta Ito, Isao Tsuyumoto
Summary: Nanocrystalline lithium niobate, LiNbO3, is prepared through an aqueous solution process, starting from peroxo - polyniobic acid solution. The crystalline LiNbO3 has the same structure as conventional LiNbO3 with a small crystallite size. The nanocrystalline LiNbO3 prepared at 500 degrees Celsius exhibits a high ionic conductivity.
MATERIALS CHEMISTRY AND PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Hiromi Nakano, Shota Ando
Summary: New phosphors Li-M-Ti-O:Mn4+ were synthesized using solid state reaction. A unique superstructure was formed by the periodic insertion of an intergrowth layer into a trigonal structure matrix. The relationship between PL intensity, Mn ion oxidation, and crystal structure was clarified through X-ray diffraction, transmission electron microscopy, and X-ray absorption spectroscopy.
MATERIALS RESEARCH BULLETIN
(2021)
Article
Chemistry, Multidisciplinary
Michael Gock, Michael Lutter, Anna Pintus, Dieter Schollmeier, Massimiliano Arca, Vito Lippolis, Klaus Jurkschat
Summary: The phosphorus-containing aryllithium compound reacted with various reagents to yield aryldiphenylphosphane chalcogenides and benzoxaphos-phaphospholes, which were characterized structurally.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Soil Science
Matthew H. H. Fischel, Cathy E. Clarke, Donald L. Sparks
Summary: Manganese-oxides are strong sorbents and oxidants that occur in trace amounts in soils as coatings and crusts. The microscale mineralogy of these manganese phases in soils and concretions is not well known. This study collected soils and concretions from South Africa to determine the mineralogy. X-ray diffraction showed the dominance of lithiophorite and the presence of todorokite in less altered soils, while more altered soils were enriched in gibbsite and birnessite. Synchrotron XRF mapping provided insights into the mechanisms stabilizing manganese and iron. The mu XRD revealed a mineralogical gradient across a concretion transect, with birnessite in the outermost layer and other minerals becoming more abundant in the middle layers.
Article
Chemistry, Multidisciplinary
Shuo Feng, Rajesh Kumar Singh, Yucheng Fu, Zhuo Li, Yulong Wang, Jie Bao, Zhijie Xu, Guosheng Li, Cassidy Anderson, Lili Shi, Yuehe Lin, Peter G. Khalifah, Wei Wang, Jun Liu, Jie Xiao, Dongping Lu
Summary: In this study, a simple strategy was demonstrated for constructing low-tortuosity through-pores in both vertical and planar directions of electrodes by casting large particles into single-particle-layer electrodes. Through multi-scale characterizations and simulations, correlations between material/electrode structures, electrolyte permeability, polysulfide migration, and sulfur reactions were elucidated. The high-loading and dense sulfur cathode fabricated by this method delivers a high specific capacity at a very low electrolyte/sulfur ratio.
ENERGY & ENVIRONMENTAL SCIENCE
(2022)
Article
Materials Science, Multidisciplinary
Jixiang Xu, Chris D. Lane, Jun Ou, Steve L. Cockcroft, Daan M. Maijer, Ainul Akhtar, Yossi Marciano
Summary: The study investigated the introduction of nitrogen into solid commercially pure titanium and proposed an effective method to avoid the formation of nitride layers. Microstructure analysis using X-ray Diffraction showed correlations between hardness and nitrogen concentration.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2021)
Article
Chemistry, Multidisciplinary
Ryan J. Schwamm, Martyn P. Coles, Michael S. Hill, Mary F. Mahon, Claire L. McMullin, Nasir A. Rajabi, Andrew S. S. Wilson
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2020)
Article
Chemistry, Multidisciplinary
Mathew D. Anker, Claire L. McMullin, Nasir A. Rajabi, Martyn P. Coles
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2020)
Article
Chemistry, Inorganic & Nuclear
Matthew J. Evans, Mathew D. Anker, Martyn P. Coles
Summary: The aluminyl anion K[Al(NONDipp)] engages in oxidative additions with the E-H bonds regardless of their polarity, forming (hydrido)aluminate salts. All products were characterized by various spectroscopic techniques and single-crystal X-ray diffraction, highlighting the versatility of aluminyl anions in activating various types of E-H bonds.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Matthew J. Evans, Mathew D. Anker, Claire L. McMullin, Sam E. Neale, Martyn P. Coles
Summary: Previously, aluminyl anions have only been isolated as potassium salts. In this study, lithium and sodium aluminyls were synthesized for the first time, with different crystallization forms observed in non-coordinating solvent.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Inorganic & Nuclear
Ryan J. Schwamm, Clara A. von Randow, Ahmed Mouchfiq, Matthew J. Evans, Martyn P. Coles, J. Robin Fulton
Summary: The study describes the synthesis and structural characterization of a series of Ge, Sn, and Pb compounds with different substituents, where the Ge complexes are monomeric, the Sn complexes are dimeric, and the Pb complexes exist as both monomers and dimers. Solution phase NMR spectroscopic data indicate that all compounds are monomeric in solution. Structural parameters, including buried volume (%V-bur), are discussed.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Matthew J. Evans, Samuel E. Neale, Mathew D. Anker, Claire L. McMullin, Martyn P. Coles
Summary: The potassium aluminyl [K{Al(NONDipp)}](2) effectively activates ethene towards carbonylation with CO under mild conditions. The study also identified important intermediates in the reaction pathway and confirmed the stabilizing influence of incorporated benzene through computational methods.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Thomas X. Gentner, Matthew J. Evans, Alan R. Kennedy, Sam E. Neale, Claire L. McMullin, Martyn P. Coles, Robert E. Mulvey
Summary: This study reports the rubidium and caesium aluminyls, completing the set of metal aluminyls in group 1 (Li-Cs) and expanding knowledge of low valent aluminium chemistry. The compounds form contacted dimeric pairs supported by pi(arene) interactions and exhibit a pronounced twist between aluminyl units. Interestingly, the Cs aluminyl enables C-H bond activation of benzene, while the Rb aluminyl does not, highlighting the significance of alkali metal in these heterobimetallic systems.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Inorganic & Nuclear
Matthew J. Evans, Mathew D. Anker, Michael G. Gardiner, Claire L. McMullin, Martyn P. Coles
Summary: This study successfully converts contacted dimeric pairs of aluminyl compounds to monomeric ion pairs and separated ion pairs by controlling the Al-M interaction with appropriate chelating reagents. The process was successful for group 1 metals Li, Na, and K, demonstrating the controllability of the interaction through the use of chelating reagents.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Ryan J. Schwamm, Martyn P. Coles
Summary: The catalytic hydrophosphination reactivity of antimony phosphanides was evaluated. The results showed that the compound exhibited good catalytic activity in the hydrophosphination reaction of phenylisocyanate.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2022)
Article
Materials Science, Multidisciplinary
T. Nawaz, G. V. M. Williams, M. P. Coles, A. Edgar, S. Chong
Summary: Oriented ferromagnetic Ni0.89Fe0.11 nanoparticle/polymer nanofibers were produced by electrospraying and thermal processing. After heat treatment, the fiber width decreased and a bimodal distribution of nanoparticle sizes was observed. There was a small spin-disordered shell and a high magnetization strength.
MATERIALS TODAY COMMUNICATIONS
(2022)
Article
Chemistry, Inorganic & Nuclear
Mathew D. Anker, Andrea O'Reilly, Claire L. McMullin, Martyn P. Coles
Summary: This study reports the formation of complexes containing In-Pn bonds by the reaction of potassium indyl with Pn (NONtBu)Cl (Pn = pnictide = Sb, Bi). X-ray crystallography and computational analysis confirm the properties and bonding mechanisms of these complexes.
Article
Chemistry, Multidisciplinary
Matthew J. Evans, Michael G. Gardiner, Mathew D. Anker, Martyn P. Coles
Summary: The study found that (NONDipp)Al-K(TMEDA)(2) and dimeric potassium aluminyl [K{Al(NONDipp)}](2) can activate and reductively couple carbon monoxide gas to form aluminium complexes with unique ligands.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Matthew J. Evans, Mathew D. Anker, Claire L. McMullin, Samuel E. Neale, Nasir A. Rajabi, Martyn P. Coles
Summary: This study investigates a series of multiply-bonded main group metal compounds and their reactions with various substrates, revealing their reaction mechanisms and product structures.
Article
Chemistry, Multidisciplinary
Matthew J. Evans, Mathew D. Anker, Claire L. McMullin, Nasir A. Rajabi, Martyn P. Coles
Summary: This study reports a novel ligand containing a terminal aluminium telluride bond, with DFT calculations confirming significant metal-tellurium multiple bond character. The reaction with CO2 proceeds via a double insertion to form the previously unknown tellurodicarbonate ligand.
CHEMICAL COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Mathew D. Anker, Ryan J. Schwamm, Martyn P. Coles
CHEMICAL COMMUNICATIONS
(2020)
