Article
Chemistry, Multidisciplinary
Feriel Rekhroukh, Linxing Zhang, Richard Y. Kong, Andrew J. P. White, Mark R. Crimmin
Summary: This study reports the reactions of cyclopropenes with compounds containing Mg-Mg bonds, demonstrating a concerted and stereoselective mechanism of 1,2-dimagnesiation. The findings shed new light on the stereochemistry of reactions involving magnesium reagents.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Liping Wang, Piotr Jankowski, Christian Njel, Werner Bauer, Zhenyou Li, Zhen Meng, Bosubabu Dasari, Tejs Vegge, Juan Maria Garcia Lastra, Zhirong Zhao-Karger, Maximilian Fichtner
Summary: A functional Mo6S8 modified separator is designed to address the challenges in magnesium-sulfur batteries, resulting in improved performance and cycling stability.
Article
Electrochemistry
Janina Drews, Johannes Wiedemann, Rudi Ruben Maca Alaluf, Liping Wang, J. Alberto Blazquez, Zhirong Zhao-Karger, Maximilian Fichtner, Timo Danner, Arnulf Latz
Summary: The impact of different mass loadings and particle size distribution of the active material on the performance of magnesium-ion batteries has been studied. A detailed continuum model is developed to describe the complex intercalation process of magnesium into a Chevrel phase cathode, taking into account the thermodynamics, kinetics, and the influence of desolvation on electrochemical reactions.
BATTERIES & SUPERCAPS
(2023)
Article
Materials Science, Multidisciplinary
H. Guo, M. T. Fernandez-Diaz, K. T. Lai, M. Valldor, A. C. Komarek
Summary: In this study, complex magnetic structures within the Sr2Fe3Ch2O3 (Ch = S and Se) system were investigated using powder neutron diffraction. The magnetic phase diagrams of both compounds showed successive magnetic transitions, with an incommensurate magnetic structure at higher temperatures that locks into commensurate structures at lower temperatures. The differences in commensurate propagation vectors between the Ch = S and Se-containing compounds may indicate changes in the size of competing exchange interactions due to structural changes within the materials.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2021)
Article
Chemistry, Organic
Takato Asoh, Hiroki Tashiro, Masahiro Terada, Itaru Nakamura
Summary: Gold-catalyzed reactions between sulfenamides and terminal alkynes result in the formation of beta-sulfenylenamines with high yields. Mechanistic studies elucidate the reaction pathway.
Article
Chemistry, Inorganic & Nuclear
Minhao Guo, Xiaofang Lai, Jun Deng, Lunhua He, Jiazheng Hao, Xin Tan, Yurong Ren, Jikang Jian
Summary: The synthesis of two NaOH-intercalated iron chalcogenides (Na1-xOH)Fe1-yX (X = Se, S) via a low-temperature hydrothermal ion-exchange method with unique crystal structures different from previous superconductors was reported. These compounds were found to exhibit paramagnetic semiconductor properties and the absence of superconductivity, possibly due to the iron vacancies in the Fe1-yX layer. Theoretical calculations suggest the potential for inducing superconductivity in (Na1-xOH)Fe1-ySe based on similarity of electronic structures with known superconductors.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
M. A. Shtykova, V. P. Vorob'eva, P. P. Fedorov, M. S. Molokeev, A. S. Aleksandrovsky, A. Elyshev, I. Palamarchuk, I. O. Yurev, A. Ivanov, N. N. Habibullayev, M. U. Abulkhaev, O. Andreev
Summary: The purpose of this paper is to determine the position of tie-lines and optical band gaps in Sb-Sm-Se system at different temperatures. The results show that there are equilibrium relationships between different phases at different temperatures. Additionally, the study reveals the complex electronic structure of a new crystal, SmSe1.9, and confirms the oxidation state of Sm ions in the crystal.
JOURNAL OF SOLID STATE CHEMISTRY
(2022)
Article
Physics, Condensed Matter
Arul Raj Natarajan, L. Ponvijayakanthan, Vineet Kumar Sharma, Bhalchandra S. Pujari, G. Vaitheeswaran, V Kanchana
Summary: The systematic analysis of electronic, thermoelectric and optical properties of triclinic van der Waal's solids was conducted using density functional theory, revealing potential applications in thermoelectric materials. The compounds exhibit semiconductor behavior with anisotropy in electrical conductivity and optical properties, suggesting promising future device applications.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2021)
Article
Physics, Condensed Matter
Roman Lucrezi, Christoph Heil
Summary: In this study, the phase diagram of the binary Nb-S system was explored using ab initio methods, revealing new stable compositions and phases, especially under high-pressure conditions. The calculated materials were found to be metals with low electron-phonon coupling strengths and critical superconducting temperatures below 15 K, except for the low-pressure phases of pure sulfur. Additionally, the effects of phonon anharmonicity on lattice dynamics, electron-phonon interactions, and superconductivity were investigated for the novel high-pressure phase of Nb2S, showing that anharmonicity stabilizes the lattice and enhances the electron-phonon interaction.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2021)
Article
Nanoscience & Nanotechnology
Ruoqi Li, Naoki Takata, Asuka Suzuki, Makoto Kobashi
Summary: A modified heat-resistant Al-Mg-Zn-Cu-Ni quinary alloy with superior high-temperature strength and creep rupture life was designed. The addition of Cu and Ni elements extended the creep rupture life significantly.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2022)
Article
Physics, Applied
A. Bafekry, I. Abdolhosseini Sarsari, M. Faraji, M. M. Fadlallah, H. R. Jappor, S. Karbasizadeh, V. Nguyen, M. Ghergherehchi
Summary: This study investigated the lattice, dynamical stability, and electronic and magnetic properties of FeX (X=S, Se, Te) monolayers using density functional calculations. The FeX monolayers were found to be stable and brittle, with FeTe monolayer having lower total magnetization than FeTe bulk, while FeSe and FeS were nonmagnetic. FeTe monolayer was identified as a good candidate for spin filter applications, highlighting the potential of FeX monolayers in electronic structures.
APPLIED PHYSICS LETTERS
(2021)
Article
Nanoscience & Nanotechnology
Xuanxi Xu, Guohua Wu, Liang Zhang, Xin Tong, Fangzhou Qi, Youjie Guo, Liangbin Li, Xunman Xiong, Cunlong Wang
Summary: This study aimed to regulate the precipitation behavior among T1, S', and θ' precipitates by optimizing Ag/Mg ratio in Al-Cu-Li alloys, and its influence on mechanical properties and fracture mechanism was investigated. The results showed that an increase in the Ag/Mg ratio accelerated the ageing process and shortened the peak ageing time. The highest strength (YS = 705 MPa, UTS = 717 MPa) was achieved when the Ag/Mg ratio was 1.87 due to the highest volume fraction of T1 precipitates, and the fracture mode changed from transgranular fracture to intergranular fracture with increasing Ag/Mg ratio.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2023)
Article
Chemistry, Physical
V. V. Volkov, V. Sidey, A. Naumov, N. A. Kolyshkin, A. Kosyakov, I. N. Nekrylov, N. Yu Brezhnev, A. Yu Zavrazhnov
Summary: This article investigates the preparation and stabilization of new high-temperature semiconductor phases A (III) - B (VI) in the Ga-S system, identifying four polymorphic Ga2S3 phases and confirming the equilibrium of the gamma-Ga2+delta S3 phase. The study combines various methods of differential thermal analysis, microstructural analysis, and powder X-ray diffractometry to provide reliable results.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Organic
Jason R. Combs, Yin-Chu Lai, David L. Van Vranken
Summary: Allyl 2-diazo-2-phenylacetates react with trimethylsilyl thioethers in the presence of rhodium(II) catalysts to generate alpha-allyl-a-thio silyl esters. The reaction involves a tandem process of carbene group insertion into the S-Si bond and Ireland-Claisen rearrangement. The products are isolated as carboxylic acids after aqueous workup, with intramolecular cyclopropanation and heteroatom addition competing during the reaction.
Article
Nanoscience & Nanotechnology
Kai Wang, Weibo Hua, Zhenyou Li, Qingsong Wang, Christian Kuebel, Xiaoke Mu
Summary: This study investigates the desodiation/sodiation mechanism of MoS2 electrodes using electron pair distribution function and X-ray absorption spectroscopy. The results show that Mo-S bonds are preserved and do not convert to metallic forms during deep sodiation. The MoS2 sheets break into disordered MoSx clusters during discharging and partially recover Mo-S coordination symmetry during subsequent charging.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Materials Science, Multidisciplinary
M. L. Hneda, J. B. M. da Cunha, A. Popa, O. Isnard
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2020)
Article
Engineering, Multidisciplinary
Olivier Isnard, Eder J. Kinast
Article
Chemistry, Physical
O. Zhak, T. Zdorov, V Levytskyy, V Babizhetskyy, C. Zheng, O. Isnard
JOURNAL OF ALLOYS AND COMPOUNDS
(2020)
Article
Physics, Condensed Matter
R. Gavrea, R. Hirian, O. Isnard, V Pop, D. Benea
SOLID STATE COMMUNICATIONS
(2020)
Article
Materials Science, Multidisciplinary
R. Hirian, R. Dudric, O. Isnard, L. Barbu-Tudoran, V Pop
Summary: This study focused on achieving nanostructure refinement in Nd2Fe14B + 10 wt%a-Fe magnetic nanocomposites through rapid annealing and utilizing the Fe alpha-gamma transformation to limit the growth of soft phase crystallites. The structure and microstructure of the nanocomposites were analyzed using XRD and SEM, while their magnetic properties and interphase exchange coupling effectiveness were studied through demagnetization curves and dM/dH plots. The results demonstrated the significance of annealing process in controlling the microstructure and enhancing the magnetic properties of the nanocomposites.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2021)
Article
Nanoscience & Nanotechnology
P. W. C. Sarvezuk, J. B. M. da Cunha, O. Isnard
Article
Materials Science, Multidisciplinary
R. Hirian, O. Isnard, V Pop, D. Benea
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2020)
Article
Chemistry, Inorganic & Nuclear
J. P. Pena, P. Bouvier, O. Isnard
JOURNAL OF SOLID STATE CHEMISTRY
(2020)
Article
Materials Science, Multidisciplinary
V Paul-Boncour, O. Isnard, V Shtender, Y. Skourski, M. Guillot
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2020)
Article
Chemistry, Physical
L. V. B. Diop, O. Prokhnenko, O. Isnard, G. Ballon, J. P. Itie
Summary: The magnetic and structural properties of Hf0.75Ta0.25Fe2 have been investigated under high magnetic fields and pressures, revealing an antiferromagnetic ground state transforming into a ferromagnetic state via a field-induced metamagnetic phase transition. The lattice expansion and compression are extremely anisotropic, with a huge positive volume magnetostriction observed. The application of hydrostatic pressure leads to a continuous decrease of the cell parameters, with an anisotropic shrinkage of the hexagonal cell along its six-fold symmetry axis c.
Article
Chemistry, Multidisciplinary
J. P. Pena, P. Bouvier, M. Hneda, C. Goujon, O. Isnard
Summary: In this study, Raman spectra of vanadates with the chemical formula MV2O6 (M = Mn, Co, Ni, Zn) crystallized in a columbite-type structure are reported for the first time. The influence of electronegativity on the force constants of V-O bonds in these compounds is highlighted, and common sequences of peaks in Raman spectra are identified across different samples. The unusual columbite-type structure obtained through high temperature and pressure synthesis is further investigated by analyzing cell parameters, interatomic distances, and Raman modes.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2021)
Article
Materials Science, Multidisciplinary
R. Hirian, R. Dudric, O. Isnard, K. Kuepper, M. Coldea, L. Barbu-Tudoran, V Pop, D. Benea
Summary: Experimental and theoretical investigations have shown that adding C to the MnBi structure slightly enhances the magnetic moment of the samples and increases the magnetocrystalline anisotropy energy (MAE).
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2021)
Article
Chemistry, Inorganic & Nuclear
Volodymyr Levytskyi, Olivier Isnard, Reinhard K. Kremer, Volodymyr Babizhetskyy, Bruno Fontaine, Xavier Rocquefelte, Jean-Francois Halet, Roman Gumeniuk
Summary: New ternary isostructural carbides R4Co2C3 (R = Y, Gd, Tb) were synthesized and characterized. The crystal structure of Tb4Co2C3 was determined by neutron powder diffraction, with ferromagnetic ordering at 35 K. Gd4Co2C3 showed two magnetic transitions at 82 K and 13 K. Density functional theory calculations confirmed that the magnetic moments in R4Co2C3 (R = Gd, Tb) are due to the rare-earth elements, while Y4Co2C3 is a Pauli paramagnet.
DALTON TRANSACTIONS
(2021)
Article
Materials Science, Multidisciplinary
J. Pena, M. A. Gusmao, O. Isnard
Summary: The study reports on the low-dimensional magnetic behavior of a series of compounds, showing quasi-one-dimensional magnetism and a metamagnetic transition to uniform ferromagnetic order under magnetic fields. The effects of substituting elements on the magnetic behavior are discussed, with quantified exchange interactions revealing variations in ferromagnetic intrachain interactions.
Article
Materials Science, Multidisciplinary
F. Mesquita, S. G. Magalhaes, P. Pureur, L. V. B. Diop, O. Isnard