Article
Crystallography
Wanyue Peng, Sviatoslav Baranets, Svilen Bobev
Summary: Crystals of a new ternary compound, Ca3InAs3, have been successfully synthesized in the Ca-In-As family. The compound crystallizes in the orthorhombic space group and has InAs4 tetrahedra as the smallest building motifs. Electronic structure calculations confirm the opening of a bandgap and show intermediate covalent/ionic interactions between Ca and As, as well as strong covalent features of the In-As interactions.
Article
Multidisciplinary Sciences
Tanjin He, Haoyan Huo, Christopher J. Bartel, Zheren Wang, Kevin Cruse, Gerbrand Ceder
Summary: By text-mining 29,900 solid-state synthesis recipes from the scientific literature, we established a knowledge base that enables the recommendation of precursor materials for the synthesis of a novel target material. Our data-driven approach learns the chemical similarity of materials and mimics human synthesis design, achieving a success rate of at least 82% when proposing precursor sets for unseen test target materials.
Article
Chemistry, Multidisciplinary
V. Nikolov, R. Nikolova, N. Petrova, I. Koseva, N. Kuvandjiev
Summary: The pseudo-ternary system Li2O.MoO3-CaO-GeO2 was investigated, and the concentration and temperature ranges of crystallization of a new compound Li2CaGe6O14 were experimentally determined. Single crystals of this compound were successfully grown and its structure was solved using single crystal XRD investigation. The chemical composition was confirmed using electron probe microanalyses (EPMA) and solid state synthesis. DSC measurements and analyses of the Li2CaGe6O14 melting processes were conducted to understand its thermal behavior.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2022)
Article
Materials Science, Multidisciplinary
Monique Tillard
Summary: Single crystals of Pt2Ga17Ta3 were successfully grown in a high-temperature experiment, exhibiting a hexagonal symmetry with a unit cell composed of triangular prisms Pt@Ga6 and complex units Ta3@Ga20 built from three interpenetrating Ta@Ga10Ta2 distorted icosahedra. The compound primarily binds through metallic interactions and is considered to be stable.
COMPUTATIONAL MATERIALS SCIENCE
(2021)
Article
Multidisciplinary Sciences
Marina Abe, Ryo Suzuki, Keiichi Hirano, Haruhiko Koizumi, Kenichi Kojimaa, Masaru Tachibana
Summary: The growth of high-quality protein crystals is essential for protein structure analysis. Twisting is identified as one of the main residual defects in high-quality crystals, determining their perfection. The handedness of twisting may be attributed to the interaction of chiral protein molecules with asymmetric units in crystal forms. This study provides insights into the growth mechanism and control of high-quality crystals.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Physics, Multidisciplinary
Qian Zhao, Ying-Hao Zhu, Si Wu, Jun-Chao Xia, Peng-Fei Zhou, Kai-Tong Sun, Hai-Feng Li
Summary: A YCrO3 single crystal with an orthorhombic structure and antiferromagnetic behavior was successfully grown using the floating-zone method. The simultaneous occurrence of antiferromagnetism and weak ferromagnetism was observed, along with strong local lattice distortions.
Article
Medicine, Research & Experimental
Hironori Suzuki, Masahito Matsushima, Masataka Ito, Shuji Noguchi
Summary: Sulfur K-edge X-ray absorption near-edge spectroscopy (XANES) can be used to distinguish crystal polymorphs of active pharmaceutical ingredients (APIs) containing sulfur atoms. The shape of XANES spectra is influenced by the C-S-C bond angle of molecules and intermolecular hydrogen bonds and S-S interaction, while the peak energy values can vary with hydrogen bonds and S-S interaction. Linear combination fitting of XANES spectra can quantify the ratio of crystal forms in mixed powders, demonstrating the utility of XANES measurements for evaluating crystal polymorphism in pharmaceutical formulations containing sulfur atoms.
MOLECULAR PHARMACEUTICS
(2022)
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
Chemistry, Physical
Ritesh Verma, Ankush Chauhan, Khalid Mujasam Batoo, Muhammad Hadi, Emad H. Raslan, Rajesh Kumar, Muhammad Farzik Ijaz, Abdulaziz K. Assaifan
Summary: The synthesis of vanadium-doped BCZT ceramic oxides was reported in this paper, confirming the existence of a solubility limit of V in BCZT ceramics. Analysis revealed the influence of crystal structure and formation of oxygen vacancies on the luminescence and electrical properties of the material.
JOURNAL OF ALLOYS AND COMPOUNDS
(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, Inorganic & Nuclear
Jerome Lelievre, Michael Josse, Pascal Marchet
Summary: The structural study of (K0.5Bi0.5)ZrO3 compound (KBZ) revealed a cubic ABO(3) perovskite structure, with a linear increase in lattice parameter above room temperature and no phase transition or decomposition observed up to 1273 K. Differential Scanning Calorimetry (DSC) and dielectric losses below room temperature require further investigation. Although KBZ is difficult to sinter, it does not exhibit relaxor behavior in dielectric properties despite the mixed occupancy of A-site ions. However, electrostriction is observed at room temperature, suggesting that KBZ may be an interesting material with improved sintering.
SOLID STATE SCIENCES
(2023)
Article
Chemistry, Physical
A. Kaiba, Mohammed H. Geesi, P. Guionneau, Yassine Riadi, Talal A. Aljohani, Ammar Elsanousi, Oussama Ouerghi
Summary: A new organic-inorganic hybrid material with a two-dimensional perovskite structure has been successfully synthesized and characterized using micro-Raman spectroscopy technique. The compound's structure was solved, showing a combination of [Cd-0.5 Cl-3](-) anions, organic +NH3(CH2)CO2H cations, and water molecules forming hydrogen-bonding network for cohesion.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Physical
Galina M. Kuz'micheva, Liudmila I. Ivleva, Irina A. Kaurova, Evgeny Khramov, Victor B. Rybakov, Maksim E. Doroshenko
Summary: Pure and Tm3+-doped Ca-3(VO4)(2) crystals were grown by the Czochralski method, with X-ray diffraction analysis revealing the crystal compositions and the locations of Tm3+ ions. Spectral analysis showed octahedral coordination for Tm3+ ions and tetrahedral coordination for V5+ ions. The spectral-luminescent properties of CVO:1.0 wt%Tm crystal are consistent with structural results obtained.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
Xiuyu Wang, Zhinan Qi, Tao Tao, Binxin Leng, Wen Xu, Jiajun Ma, Mingming Wang
Summary: Pure Sn(MoO4)(2) nano-sized particles and Ni-doped samples were synthesized by co-precipitation method, showing high ethanol sensitivity after thermal treatment. Ni doping can further improve the ethanol sensitivity, possibly due to the crystalline structure and the role of Ni.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Materials Science, Multidisciplinary
Tahir Murtaza, Raju Kalaivanan, G. Madeswaran, Khasimsaheb Bayikadi, Raman Sankar
Summary: In this study, single crystal growth, structural, and magnetic properties of Na2M2TeO6 (M = Co, Ni) and Na2Cu2TeO6 compounds were investigated. The self-flux method was used for single crystal growth, and X-ray diffraction was utilized to examine crystal structure and magnetic properties. The anisotropic behavior and magnetic phase transitions were observed in the honeycomb spin-lattice compounds, indicating distinct magnetic interactions within the crystal structure.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2021)
Article
Materials Science, Multidisciplinary
A. Aly, M. Ghali, A. Osman, M. K. El Nimr
Summary: This study reports the discovery of naturally occurring luminescent graphene quantum dots (GQDs) in coconut water for the first time. The GQDs were identified through various measurements and were found to have dual sizes and emit different wavelengths of light. The GQDs were also utilized as an efficient optical sensor for aniline liquid detection.
MATERIALS RESEARCH BULLETIN
(2024)
Article
Materials Science, Multidisciplinary
Zehua Chen, Wencheng Ma, Qinglu Fan, Yanhua Liu, Min Sun, Shuo Wang
Summary: The nanoscale e-VOPO4 materials were successfully prepared by hydrothermal synthesis and calcination, showing high purity and suitable particle size. It exhibited satisfactory electrochemical performance as cathode material for sodium ion batteries, making it a potential candidate for high energy storage systems.
MATERIALS RESEARCH BULLETIN
(2024)
Article
Materials Science, Multidisciplinary
Tao Liu, Yahui Liu, Le Ling, Zhongxi Sheng, Zao Yi, Zigang Zhou, Yongjia Yang, Bin Tang, Qingdong Zeng, Tangyou Sun
Summary: In this paper, a terahertz (THz) micronano device that can switch between bimodal absorption and plasmon-induced transparency (PIT) is proposed. The device consists of layers of graphene, silica, and vanadium dioxide, and has a simple structure, easy tuning, and wide-angle absorption. The device achieves perfect absorption at specific frequencies and is highly sensitive to environmental refractive index. It also has the functions of a three-frequency asynchronous optical switch and slow light effect.
MATERIALS RESEARCH BULLETIN
(2024)
Article
Materials Science, Multidisciplinary
Xiaobo Luo, Songhan Hu, Qiudong Duan, Dacheng Zhou, Jialin Chen, Yugeng Wen, Jianbei Qiu
Summary: The exploration of solar light absorption by a material is important in photonics and optoelectronics. This study reveals the potential of Ba3-xGa2O6:xBi3+ as a promising candidate for various photonic and optoelectronic applications, and demonstrates the use of the material in double-sided laser printing for three-dimensional optical imaging.
MATERIALS RESEARCH BULLETIN
(2024)
Article
Materials Science, Multidisciplinary
Hemin Wang, Yanling Hao, Lele Xiang, Xiaosi Qi, Lei Wang, Junfei Ding, Yunpeng Qu, Jing Xu, Wei Zhong
Summary: This study designed Fe3O4-FeCO3/MWCNTs/RGO MCNCs composites and fabricated large-scale samples using hydrothermal and freeze-drying methods. The microstructural investigation showed that these materials had a mixed-dimensional structure, which improved impedance matching features, polarization, and conduction loss abilities, leading to significantly enhanced electromagnetic absorption properties.
MATERIALS RESEARCH BULLETIN
(2024)
Article
Materials Science, Multidisciplinary
Zhenshan Yu, Hao Chen, Xuequan Chen, Yu-Sheng Lin
Summary: This study presents a silicon dielectric metamaterial (SDM) composed of two outer symmetric semi-circular rings and two inner symmetric split-ring resonators (SRRs). The electromagnetic responses of the SDM device in different modes were studied through numerical simulations and experiments. Increasing the structure height of the SDM device resulted in red-shifted resonances and stronger intensities. This study provides a new design strategy for the development of frequency filtering, polarization switching, and resonance modulation characteristics in THz-wave applications.
MATERIALS RESEARCH BULLETIN
(2024)
Article
Materials Science, Multidisciplinary
Yiming Qi, Na Zhang, Meng Zong, Yangxianzi Liu, Weixing Chen
Summary: This study prepares dielectric/carbon fiber based nanocomposites wave-absorbing materials using liquid diffusion and high temperature carbonization strategies. By tuning the element type, drying mode, and filling amount, the electromagnetic parameters and absorbing properties can be adjusted. The best synthesized sample shows excellent absorbing performance, making it suitable for a wide range of electromagnetic wave absorption applications.
MATERIALS RESEARCH BULLETIN
(2024)
Article
Materials Science, Multidisciplinary
Carlos D. Gonzales-Lorenzo, T. K. Gundu Rao, Alberto A. Ccollque-Quispe, Jorge Ayala-Arenas, Monise B. Gomes, Betzabel N. Silva-Carrera, Roseli F. Gennari, Valeria S. Pachas, F. Monzon-Macedo, H. Loro, Jose F. D. Chubaci, Nilo F. Cano, Rene R. Rocca, Shigueo Watanabe
Summary: In this study, CaSiO3 doped with different ppm of Eu was synthesized using the devitrification method. Various physical properties were analyzed, revealing that the intensity and temperature of the high-temperature TL peak increased with higher dopant amounts. Fluorescence measurements indicated the presence of Eu2+ and Eu3+ ions in the samples. EPR spectra confirmed the existence of two defect centers.
MATERIALS RESEARCH BULLETIN
(2024)
Article
Materials Science, Multidisciplinary
Yanning Qu, Xinyang Li, Mei Cui, Renliang Huang, Wanquan Ma, Yunting Wang, Rongxin Su, Wei Qi
Summary: In this study, a new molybdenum disulfide/N,S-doped carbon quantum dots (MoS2/N,S-CQDs) heterojunction with enhanced light absorption and electrons transfer di-functional properties was constructed via a facile one-pot hydrothermal method. The heterojunction showed remarkable efficiencies in degrading methylene blue (MB) and malachite green (MG) in an actual water system under simulated sunlight irradiation. The facile synthetic technique and effective multifunctional properties of the composite have the potential for further research and industrial applications.
MATERIALS RESEARCH BULLETIN
(2024)
Article
Materials Science, Multidisciplinary
Jiayi Wang, Penggang Ren, Xueyan Zhao, Zhengyan Chen, Yanling Jin, Zengping Zhang
Summary: In this study, a novel homojunction photocatalyst was developed by combining defective g-C3N4 and flaked g-C3N4, which showed excellent degradation performance and cycling stability, and exhibited practicality in several simulation experiments.
MATERIALS RESEARCH BULLETIN
(2024)
Article
Materials Science, Multidisciplinary
Jing Yan, Xiaoxiao Zhao, Weixing Chen, Panbo Liu
Summary: This research presents a self-templated strategy to prepare a spherical superstructure of carbon nanorods through material modification and pyrolysis. The resulting material exhibits a large controllable radius of curvature and shows excellent microwave absorbing properties due to its high specific surface area and mesoporous structure.
MATERIALS RESEARCH BULLETIN
(2024)
Review
Materials Science, Multidisciplinary
Qinglin Zeng, Zepeng Lv, Shaolong Li, Bin Yang, Jilin He, Jianxun Song
Summary: Liquid metal batteries possess stable safety performance, high rate performance, and thermal stability. The electrolyte, an important component of the battery, plays a significant role in achieving these remarkable performance characteristics. This paper reviews the important research progress of liquid metal batteries electrolyte and discusses the influence of different electrolyte types on energy efficiency. It also highlights the limitations and challenges of existing electrolytes and proposes key development directions for liquid metal electrolytes.
MATERIALS RESEARCH BULLETIN
(2024)
Article
Materials Science, Multidisciplinary
Song Wu, Junli Wang, Xuanbing Wang, Di Jiang, Jinlong Wei, Xiaoning Tong, Zhenwei Liu, Qingxiang Kong, Naixuan Zong, Ruidong Xu, Linjing Yang
Summary: In this study, a composite electrode composed of Ti/TiH2/beta-PbO2_Mn3O4@C was fabricated and investigated for zinc electrowinning. The composite electrode exhibited low overpotential, Tafel slope, icorr, and high voltage stability, outperforming most reported Ti-based PbO2 electrode materials. The excellent catalytic activity can be attributed to the low resistance and porous interlayer of TiH2 nanosheets, as well as the addition of Mn3O4@C micro-flakes to the active layer.
MATERIALS RESEARCH BULLETIN
(2024)
Article
Materials Science, Multidisciplinary
E. Tsoutsoumanos, T. Karakasidis, N. Laskaris, P. G. Konstantinidis, G. S. Polymeris, G. Kitis
Summary: This study investigates the correlation between nanocrystal dimensions and thermoluminescence signal magnitude through simulations conducted in Python. Two mathematical models, OTOR and IMTS, were used to derive theoretical luminescence signals. The obtained results were compared with experimental data and a thorough comparative discussion was conducted.
MATERIALS RESEARCH BULLETIN
(2024)
Article
Materials Science, Multidisciplinary
Vishnu Aggarwal, Sudhanshu Gautam, Aditya Yadav, Rahul Kumar, Bipul Kumar Pradhan, Brajesh S. Yadav, Govind Gupta, Senthil Kumar Muthusamy, Sumeet Walia, Sunil Singh Kushvaha
Summary: Recently, there has been a great demand for highly responsive photodetectors that can detect a wide range of wavelengths. Researchers have successfully fabricated a broadband metal-semiconductor-metal photodetector by integrating sputtered Bi2Se3 with laser molecular beam epitaxy grown GaN film. This photodetector shows high responsivity in both the ultraviolet and near-infrared regions.
MATERIALS RESEARCH BULLETIN
(2024)