Article
Chemistry, Multidisciplinary
Tsutomu Kanno, Hiromasa Tamaki, Masato Yoshiya, Hiroshi Uchiyama, Sachiko Maki, Masaki Takata, Yuzuru Miyazaki
Summary: A study on Mg3Sb2 revealed it to be heavily disordered with Frenkel defects and charge-neutral defect complexes. This compound exhibits exotic n-type dopability and a deviation from the standard temperature dependency in terms of thermal conductivity.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Geosciences, Multidisciplinary
S. Dominijanni, C. A. McCammon, E. Ohtani, D. Ikuta, T. Sakamaki, T. Ishii, G. Criniti, L. S. Dubrovinsky, S. Khandarkhaeva, T. Fedotenko, K. Glazyrin, H. Uchiyama, H. Fukui, A. Q. R. Baron
Summary: The elastic properties of B2-Fe0.67Ni0.06Si0.27 alloy were investigated under high pressure using inelastic X-ray scattering and powder X-ray diffraction. The results were compared with the preliminary reference Earth model, and showed consistency in wave velocities and densities.
GEOPHYSICAL RESEARCH LETTERS
(2022)
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
Chemistry, Physical
Robin Turnbull, Daniel Errandonea, Vanesa Paula Cuenca-Gotor, Juan Angel Sans, Oscar Gomis, Alfonso Gonzalez, Placida Rodriguez-Hernandez, Catalin Popescu, Marco Bettinelli, Karuna K. Mishra, Francisco Javier Manjon
Summary: This study presents an experimental-theoretical investigation of the structural and vibrational properties of YBO3, revealing highly anisotropic compressibility and pressure response of its Raman modes. The findings suggest the importance of considering non-hydrostatic effects in interpreting the bulk modulus of YBO3.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
N. E. Volkova, M. Bazueva, D. T. Aisarinova, A. D. Alkhamova, L. Ya Gavrilova, V. A. Cherepanov, A. Maignan
Summary: The study investigated 96 samples in the Ba1-xPrxFe1-yCoyO3-delta system, establishing the compositional boundaries of stability for three types of crystal structure. The cubic and orthorhombic perovskites' unit cell parameters were refined, and the oxygen content was found to increase with Pr and Fe contents. A pseudo-phase diagram outlining the stability ranges for all three types of complex oxides was generated.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
Robin Turnbull, Daniel Errandonea, Juan Angel Sans, Vanesa Paula Cuenca-Gotor, Rosario Isabel Vilaplana, Jordi Ibanez, Catalin Popescu, Agata Szczeszak, Stefan Lis, Francisco Javier Manjon
Summary: This study reports high-pressure X-ray diffraction studies on nanocrystals of GdBO3 and YBO3, as well as the determination of pressure-volume equations of state at room temperature. The experimental results show that the isothermal bulk moduli of GdBO3 and YBO3 are significantly smaller than previous findings, consistent with known systematics and ab initio calculations. The discussion also highlights potential experimental and analytical errors that could lead to unreliable conclusions reported elsewhere.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Multidisciplinary Sciences
G. Fabbris, D. Meyers, Y. Shen, V. Bisogni, J. Zhang, J. F. Mitchell, M. R. Norman, S. Johnston, J. Feng, G. S. Chiuzbaian, A. Nicolaou, N. Jaouen, M. P. M. Dean
Summary: Ruddlesden-Popper and reduced Ruddlesden-Popper nickelates are potential substitutes for high-temperature superconducting cuprates, but the extent of their similarity has been contested. Resonant inelastic x-ray scattering (RIXS) has been crucial in studying their electronic and magnetic excitations, but inconsistent results among different samples and the absence of publicly available data have hindered detailed comparisons. To address this, we present open RIXS data on La4Ni3O10 and La4Ni3O8.
Article
Nanoscience & Nanotechnology
B. D. Klee, B. Paulus, J. Link Vasco, S. Hosokawa, J. R. Stellhorn, S. Hayakawa, S. Dehnen, W-C Pilgrim
Summary: The microscopic structure of a new infrared-driven amorphous white-light-generating material was investigated using X-ray diffraction, EXAFS and Reverse Monte Carlo simulation. The results suggest that structural disorder is a prerequisite for the observed nonlinear optical effect. The distorted molecular cores act as crystallization inhibitors. Sulfur atoms form a uniform vibrational network, which may enhance the material's ability to absorb infrared radiation.
SCRIPTA MATERIALIA
(2022)
Article
Physics, Condensed Matter
Atsushi Togo, Hiroyuki Hayashi, Terumasa Tadano, Satoshi Tsutsui, Isao Tanaka
Summary: This study measured and calculated the longitudinal-optical mode phonon branches of KCl and NaCl using inelastic x-ray scattering (IXS) and first-principles phonon calculation. The calculated spectral functions provided higher resolutions and showed multiple peaks, while the LO modes along the Gamma-L paths were found to be disconnected.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2022)
Article
Chemistry, Physical
Ashley Weiland, Matthew G. Frith, Saul H. Lapidus, Julia Y. Chan
Summary: Flux growth synthesis is an advantageous method for growing single crystals of both congruently melting and metastable phases. Determining synthetic parameters for new crystalline phases is complex, requiring consideration of factors such as starting material purity, morphology, and heating profile variables. In situ monitoring of crystallite growth can elucidate reaction intermediates and growth mechanisms.
CHEMISTRY OF MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Thomas Kroll, Michael L. Baker, Samuel A. Wilson, Marcus Lundberg, Amelie Juhin, Marie-Anne Arrio, James J. Yan, Leland B. Gee, Augustin Braun, Tsu-Chien Weng, Dimosthenis Sokaras, Britt Hedman, Keith O. Hodgson, Edward Solomon
Summary: 1s2p resonant inelastic X-ray scattering (1s2p RIXS) has been successful in determining the differential orbital covalency (DOC) in highly covalent iron environments, but the presence of non-centrosymmetric environments with metal-oxo bonds introduces 4p character into 3d orbitals, impacting electronic structure analysis. This study examines the effects of 4p mixing on 1s2p RIXS spectra using binuclear oxo bridged Fe(III) complexes and elucidates the selective nature of the mixing for enhancing L-edge XAS analysis in terms of DOC. Additionally, the study provides structural insights from biferric model studies for peroxo bridged biferric enzyme intermediates.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Inorganic & Nuclear
Sirine Hawech, Isabelle Ledoux-Rak, Amel Ben Slimane, Nasreddine Ennaceur
Summary: In this study, a new hybrid material C18H12KNO11.H2O was successfully synthesized and characterized. The crystal structure was determined to be in a monoclinic system, and the thermal study confirmed the stability of the crystal up to 240°C. Additionally, second-order non-linear optical measurements showed potential for its use as a frequency doubling material.
INORGANIC CHEMISTRY COMMUNICATIONS
(2022)
Article
Physics, Multidisciplinary
Jingui Xu, Dongzhou Zhang, Sergey N. Tkachev, Przemyslaw K. Dera
Summary: Single-crystal x-ray diffraction (SCXRD) is crucial for studying crystal structures and phase transitions under high pressure. The PX2 program at the GSECARS 13-BM-C beamline offers state-of-the-art experimental capabilities for determining crystal structures under extreme conditions using SCXRD.
MATTER AND RADIATION AT EXTREMES
(2022)
Article
Chemistry, Inorganic & Nuclear
Zungang Zhu, Shengcai Wu, Yongfu Long, Lu Zhang, Xin Xue, Yue Yin, Benjun Xu
Summary: The study found that silicon doping can inhibit the transformation of anatase to ruffle titanium dioxide, leading to an increase in phase transition temperature and activation energy. Experimental results suggest that the crystal growth process is controlled by the growth of the interface.
JOURNAL OF SOLID STATE CHEMISTRY
(2021)
Article
Polymer Science
Xiang Shi, Pierre-Antoine Albouy, Pascale Launois
Summary: This study presents a different view that the evolution of X-ray patterns reflects changes in crystalline texture rather than polymorphism. This enables a quantitative description of X-ray fiber patterns but also highlights some fundamental structural issues.
Article
Chemistry, Physical
Mohammed Dahmani, Abdelkader Et-Touhami, Abderrahmane Yahyi, Tarik Harit, Driss Eddike, Monique Tillard, Redouane Benabbes
Summary: A series of new ditriphenyltin(IV) dicarboxylate complexes have been synthesized and characterized, showing improved antifungal activity compared to the corresponding ligands. The presence of triphenyltin moiety greatly enhances the antifungal activity, approaching the level of commercial fungicides. The molecular structures of some complexes have been confirmed by single crystal X-ray diffraction, providing insights into their coordination geometry.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Multidisciplinary
P. Armand, C. Reibel, D. Granier, M. Tillard
Summary: Crystals of the rare earth double molybdate KYb(MoO4)(2) were grown by spontaneous nucleation from a K2Mo4O13 flux. The material has been characterized using various analytical methods, revealing its crystal structure and magnetic properties. The temperature-dependent magnetic susceptibility of KYb(MoO4)(2) follows a Curie-Weiss law with a Weiss constant of -52 K.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2021)
Article
Chemistry, Inorganic & Nuclear
M. Tillard, P. Hermet, A. Haidoux, D. Granier, P. Armand
Summary: This study investigated the preparation and X-ray crystal structure, vibrational properties, and density functional theory calculations of colorless KSbGe3O9, revealing its unique structure and properties, and providing detailed information about the substance.
JOURNAL OF SOLID STATE CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Monique Tillard, Abel Haidoux, Dominique Granier, Lea Daenens, Pascale Armand
Summary: The germanate CsSbGe3O9 crystallizes in the orthorhombic system with a three-dimensional network built up of germanate tetrahedra and Sb atoms adopting octahedral coordination. The structure was determined from single-crystal X-ray diffraction data, with a more in-depth analysis carried out in comparison with similar compounds. The monovalent cation Cs+ is located in the channels of the 3-D network.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Organic
Ibrahim Bouabdallah, Tarik Harit, Yahya Rokni, Mahmoud Rahal, Monique Tillard, Driss Eddike, Abdeslam Asehraou, Fouad Malek
Summary: The synthesis of a new C,C-linked functionalized bipyrazole and its catalytic application as complexes with copper(II) salts for the oxidation of 3,5-di-tert-butylcatechol has been reported.
Article
Chemistry, Inorganic & Nuclear
M. Tillard, D. Granier, C. Reibel, L. Daenens, P. Armand
Summary: Crystals of barium molybdates BaKYb(MoO4)(3) and BaMoO4 were obtained through high-temperature flux experiments, characterized using EDS, Raman spectroscopy, and X-ray diffraction. BaMoO4 crystallizes in tetragonal symmetry while the new triple molybdate BaKYb(MoO4)(3) adopts a monoclinic lattice structure, both showing unique coordination polyhedra and distorted tetrahedra. Investigation of magnetic properties was conducted to examine low-temperature magnetic ordering.
JOURNAL OF SOLID STATE CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
P. Armand, D. Granier, C. Reibel, M. Tillard
Summary: In this study, two triple molybdates were obtained using high-temperature flux technique, and their properties were investigated through X-ray diffraction, Raman spectroscopy, and magnetic measurements. The crystal structures of Er-based and Tm-based triple molybdates were characterized and showed distinct lattice dimensions. The magnetic susceptibility measurements indicated that both compounds exhibit an antiferromagnetic behavior.
SOLID STATE SCIENCES
(2022)
Article
Chemistry, Inorganic & Nuclear
M. Tillard, D. Granier, L. Daenens, C. Reibel, P. Armand
Summary: Millimeter-sized single crystals of RbYb(MoO4)(2), H2O monohydrate were successfully grown using the high-temperature self-flux method. The crystal possesses a layered structure and specific crystalline properties. Raman investigation reveals a weak vibration, while magnetic characterizations suggest antiferromagnetic behavior at low temperatures.
JOURNAL OF SOLID STATE CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Pascale Armand, Dominique Granier, Monique Tillard
Summary: In this study, millimeter-sized crystals of Ge1-xSixO2 were successfully synthesized using the high-temperature flux method. These crystals exhibit a non-centrosymmetric alpha-quartz-type structure and low defect levels. The complete mutual solubility between alpha-SiO2 and alpha-GeO2 was confirmed.
JOURNAL OF SOLID STATE CHEMISTRY
(2023)
Article
Polymer Science
Romain Tavernier, Lerys Granado, Monique Tillard, Louis Van Renterghem, Thomas-Xavier Metro, Frederic Lamaty, Leila Bonnaud, Jean-Marie Raquez, Ghislain David, Sylvain Caillol
Summary: A highly reactive 2-substituted benzoxazine monomer, Ph-fa[2]PhOH, was designed to lower the ROP temperature of commercial benzoxazine resins, resulting in significant improvement in resin properties.
Article
Chemistry, Multidisciplinary
Ibrahim Bouabdallah, Tarik Harit, Mahmoud Rahal, Fouad Malek, Monique Tillard, Driss Eddike
Summary: The study compared the crystal structures of different diisopropyl bipyrazoles, and used Density Functional Theory (DFT) calculations to investigate molecular geometries and global reactivity parameters.
ACTA CHIMICA SLOVENICA
(2021)
Article
Chemistry, Physical
J. Zamora, T. Bautista, N. S. Portillo-Velez, A. Reyes-Montero, H. Pfeiffer, F. Sanchez-Ochoa, H. A. Lara-Garcia
Summary: Experimental and DFT studies were conducted on the structural, magnetic, and optical properties of RFeO3 perovskites. The perovskites exhibited an orthorhombic crystal structure and weak ferromagnetic behavior. They were confirmed to be semiconductors with a bandgap of approximately 2.1 eV.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Xianxiang Lv, Jing Jin, Weiguang Yang
Summary: By depositing TiN and TiO2 surface layers on AlSi films, the electrochemical performance of silicon-based anodes can be significantly improved, suppressing volume expansion and promoting the formation of a stable SEI layer.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Sharafat Ali, Haider Ali, Syedul Hasnain Bakhtiar, Sajjad Ali, Muhammad Zahid, Ahmed Ismail, Pir Muhammad Ismail, Amir Zada, Imran Khan, Huahai Shen, Rizwan Ullah, Habib Khan, Mohamed Bououdina, Xiaoqiang Wu, Fazal Raziq, Liang Qiao
Summary: The construction and optimization of redox-heterojunctions using a bifunctional phosphate as an electron-bridge demonstrated significant improvements in photo catalytic activity, including enhanced dispersion, reduced interfacial migration resistance, and increased abundance of active-sites.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Ren-Ni Luan, Na Xu, Chao-Ran Li, Zhi-Jie Zhang, Yu-Sheng Zhang, Jun Nan, Shu-Tao Wang, Yong-Ming Chai, Bin Dong
Summary: Extensive research has revealed that oxygen evolution reaction (OER) in alkaline conditions involves dynamic surface restructuring. The development and design of sulfide/oxide pre-catalysts can reasonably adjust the composition and structure after surface reconstruction, which is crucial for OER. This study utilized a simple two-step hydrothermal method to achieve in situ S leaching and doping, inducing the composition change and structure reconstruction of CoFe oxides. The transformed FeOOH and CoOOH exhibited excellent OER activity and could be easily mass-produced using low-cost iron based materials and simple methods.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Jun'an Lai, Daofu Wu, Peng He, Kang An, Yijia Wang, Peng Feng, WeiWei Chen, Zixian Wang, Linfeng Guo, Xiaosheng Tang
Summary: Zero-dimensional organic-inorganic metal halides (OMHs) are gaining attention in the fabrication of light-emitting diodes due to their broad emission band and high photoluminescence quantum yield. This work synthesized a zero-dimensional organic tetraphenylphosphonium bismuth chloride (TBC) that showed efficient blue light emission, with the emission mechanism attributed to the transition of Bi3+ ions. White light-emitting diodes (WLEDs) were fabricated using TBC, along with green-emitting and red-emitting single crystals, achieving single-component white emissions. These findings demonstrate the different emission mechanism of ns2 ions-based OMHs and highlight the potential of bismuth-based OMHs in WLEDs applications.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Xuewei Liang, Yunhai Su, Taisen Yang, Zhiyong Dai, Yingdi Wang, Xingping Yong
Summary: The revolutionary design concept of high-entropy alloys has brought new opportunities and challenges to the development of advanced metal materials. In this work, AlCrCuFe2NiTix high-entropy flux cored wires were prepared by combining the design idea of a high-entropy alloy with the characteristics of flux cored wire. AlCr-CuFe2NiTix high-entropy surfacing alloys were prepared using gas metal arc welding technology. The wear properties of the alloys were analyzed, and the phase composition, microstructure, strengthening mechanism, and wear mechanism were discussed. The results show that the alloys exhibit a dendritic microstructure with BCC/B2 + FCC phases. Increasing Ti content leads to the precipitation of Laves phase. The alloys show improved microhardness and wear resistance due to the precipitation of coherent B2 and Laves phases. However, excessive Ti addition results in the increase of Laves phase and reduced wear resistance of the alloys.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
M. Vadivel, M. Senthil Pandian, P. Ramasamy, Qiang Jing, Bo Liu
Summary: This work presents the enhanced photocatalytic and electrochemical performance of g-C3N4 assisted PAA on CoFe2O4 ternary nanocomposites. The incorporation of PAA and g-C3N4 improves the separation efficiency of photogenerated charge carriers, resulting in superior photocatalytic degradation and high specific capacitance values.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Vibhu T. Sivanandan, Ramany Revathy, Arun S. Prasad
Summary: In this study, pure and doped cobalt ferrite nanoparticles were prepared using the sol-gel auto-combustion method with the aid of lemon juice as eco-fuel. The crystal structure, lattice parameter, crystallite size, microstrain, optical parameters, and room temperature magnetic properties of the samples were analyzed. The effect of doping on the magnetic properties was also investigated.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Qing Guo, Bowen Zhang, Benzhe Sun, Yang Qi
Summary: This study prepared ZnO films with various nonpolar preferred orientations using conventional chemical bath deposition method and characterized their growth process and mechanism. It was found that the type and concentration of nitrate could control the preferred orientation and surface roughness of ZnO films. Additionally, ZnO films with different preferred orientations exhibited different optical properties.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Chong Zhang, Yan Liu, Zhaoyan Wang, Hang Yang
Summary: In this study, six bimetallic FeCo particles were synthesized via the hydrothermal method at different Fe:Co ratios. The Fe:Co ratio not only modulates the composition of the particles but also influences their structure and magnetic properties. The FeCo alloys showed a transformation from an Fe-based structure to a Co-based structure with increasing Co content. The Fe:Co ratio of 1:1 and 3:1 resulted in particles with the highest and lowest saturation magnetization, respectively.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Jianning Zhang, Jing Li, Yiren Wang, Xiaodong Mao, Yong Jiang
Summary: We conducted a study on the formation of ultra-fine Y-Ti-Ta-O nano-oxides in Ta+B micro-alloyed 13CrWTi-ODS alloys using electron microscopy and first-principles calculations. The Y-Ti-Ta-O nano-oxides were found to be mainly Y2(Ti,Ta)2O7, with an average size of 7 nm and a number density of 6.8 x 1023 m-3. Excess boron was found to enhance the adhesion of some low-sigma grain boundaries but weaken the Fe/Y2Ti2O7 interface, while excess tantalum enhanced the Fe/Y2Ti2O7 interface but caused serious degradation of grain boundaries.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Yirong Fang, Pei Cheng, Hang Yuan, Hao Zhao, Lishu Zhang
Summary: A new composite system of nitrogen-doped reduced graphene oxide and black phosphorus quantum dots has been developed for tumor therapy, showing improved electrochemical properties and stability. The system generates hydrogen peroxide and hydroxyl radical to effectively kill tumor cells.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Xiufang Qin, Yuanli Ma, Hui Zhang, Ting Zhang, Fang Wang, Xiaohong Xu
Summary: The structure and magnetism of cobalt ferrites after Mn2+-Tb3+ co-doping were studied. Co-doped samples exhibited cubic spinel structure and spherical shape of ferrite nanoparticles. The redistribution of Co2+ and Fe3+ ions between octahedral and tetrahedral sites was observed due to Mn2+-Tb3+ co-doping. The coercivity and magnetization saturation of co-doped samples were significantly improved, leading to a maximum energy product that is 190% higher than that of the un-doped sample.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Ho Yeon Lee, Wonjong Yu, Yoon Ho Lee
Summary: Recently, there has been an increasing interest in developing ultra-fine nanostructured electrodes with extensive reaction areas to enhance the performance and low-temperature operation of solid oxide fuel cells. The use of a refined approach involving co-sputtering metal alloys and oxide targets has demonstrated the feasibility of nano-columnar structures in perovskite-based electrodes, expanding the temperature range of thin film electrodes. This study systematically examines the effects of chamber pressure control in the co-sputtering process and identifies the intricate relationship between sputtering pressure and film structure. By fine-tuning the columnar growth in the electrode, significant improvements in performance and thermo-mechanical properties were achieved, resulting in high-performance all-sputtered solid oxide fuel cells.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Qianyun Bai, Xiaoxiao Yan, Da Liu, Kang Xiang, Xin Tu, Yanhui Guo, Renbing Wu
Summary: This study proposes a simple method to develop a non-precious transition metal-based electrocatalyst with high catalytic activity and robustness for the hydrogen evolution reaction. The as-synthesized electrode exhibits a low overpotential and high current density, indicating its potential in energy conversion.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
