Article
Biochemistry & Molecular Biology
Jan Rysavy, Robert Matyas, Zdenek Jalovy, Jaroslav Maixner, Ales ka, Stanislav Brandejs, Jiri Nesveda
Summary: The reinvestigation of tetrazene single crystalline material through X-ray methods revealed a slightly different structure compared to previous data. The newly described C form was found to be the primary reaction product, requiring the combined action of temperature and water over time to transition to the A form. Differences between sensitivities to mechanical stimuli of the two modifications were investigated and found to be industrially insignificant.
Article
Chemistry, Multidisciplinary
Alexander A. Kushtaev, Nikolay Yudin, Natalia N. Kondakova, Natalia N. Ilicheva, Tuan Q. Vu, Vitold L. Zbarskiy
Summary: The polymorphism of 1,1-diamino-2,2-dinitroethene (FOX-7, DADNE) was examined using X-ray powder diffraction (XRD), differential scanning calorimetry (DSC), thermo gravimetric analysis (TGA), and IR-spectroscopy, leading to the discovery of two previously unknown polymorph modifications - epsilon and zeta. The epsilon-FOX-7 was synthesized through hydrolysis and demonstrated stability in the temperature range of 273-378 K, while the zeta-polymorph could be obtained by heating epsilon-FOX-7 to 378-380 K with a reversible transition to epsilon occurring at 361.7 +/- 3.1 K.
Article
Physics, Condensed Matter
Sho Kakizawa, Chikara Shito, Yuichiro Mori, Hiroyuki Saitoh, Katsutoshi Aoki, Hiroyuki Kagi
Summary: Iron reacts with hydrogen to form hydrides at high temperatures and pressures, with three different phases present. Studies have shown phase transitions at temperatures and pressures significantly different from those predicted by the conventional phase diagram. New phase boundaries were found to be higher in temperature than traditional boundaries.
SOLID STATE COMMUNICATIONS
(2021)
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
Spectroscopy
Weihong Xue, Kuan Zhai, Hu Wang, Xiang Wu, Wen Wen, Shuangmeng Zhai
Summary: The Raman spectra and X-ray diffraction patterns of Mg2P2O7 polymorphs were investigated at different temperatures, revealing the temperature dependence of their Raman vibrations and force constant evolution. The study provides valuable data on the thermal properties of Mg2P2O7 polymorphs.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Chemistry, Physical
S. P. Kandare, B. Joseph, Mala N. Rao, S. S. Dahiwale, S. D. Dhole, Rekha Rao
Summary: Raman spectroscopic and synchrotron powder diffraction measurements were used to study the pressure-induced phase transitions in nano-crystalline Cu2ZnSnS4, revealing a different sequence of transitions compared to bulk Cu2ZnSnS4. The volume data for the ordered kesterite phase was obtained, and the mechanical instability of the disordered kesterite phase leading to a second structural transition was identified.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
Rama Srinivas Varanasi, Motomichi Koyama, Hiroyuki Saitoh, Reina Utsumi, Toyoto Sato, Shin-ichi Orimo, Eiji Akiyama
Summary: The phase transformations and microstructure changes during the depressurization of non-hydrogenated and hydrogenated Fe-Mn-Si-Cr alloy were investigated. Understanding the effects of hydrogenation on the stability of the austenite phase in Fe-based alloys is crucial.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Physical
R. Utsumi, M. Morimoto, H. Saitoh, T. Watanuki, T. Sato, S. Takagi, S. Orimo
Summary: The researchers synthesized metal hydrides comprising only metals with low hydrogenation affinity which cannot form metal hydrides below 1 GPa. By clarifying the hydrogenation reaction processes of FexMo1-x alloys, they were able to classify the reaction process into three types and synthesize two novel hydrides, one of which has metal elements at the vertices of hexagonal close-packed lattices.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Metallurgy & Metallurgical Engineering
Clement Pechberty, Antoine Klein, Bernard Fraisse, Lorenzo Stievano, Romain Berthelot
Summary: Different polymorphs of Mg-Sn and Mg-Pb intermetallic compounds were prepared by high-energy mechanical alloying, among which the cubic polymorphs Mg2Sn and Mg2Pb were found to be preferentially formed during alloying process and showed compatibility with the electrolyte.
JOURNAL OF MAGNESIUM AND ALLOYS
(2022)
Article
Metallurgy & Metallurgical Engineering
Clement Pechberty, Antoine Klein, Bernard Fraisse, Lorenzo Stievano, Romain Berthelot
Summary: Different polymorphs of Mg-Sn and Mg-Pb intermetallic compounds were prepared by high-energy mechanical alloying. The cubic polymorphs Mg2Sn and Mg2Pb exhibited superior alloying and dealloying performance, while other polymorphs acted as by-products or intermediate phases in the electrochemical process.
JOURNAL OF MAGNESIUM AND ALLOYS
(2022)
Article
Chemistry, Physical
Kaitong Liu, Jian Han, Tuohetijiang Baiheti, Fuming Li, Zhonglei Wei, Zhihua Yang, Miriding Mutailipu, Shilie Pan
Summary: The study focuses on the discovery of a series of new fluorooxoborate phases BaBOF3, with the α- and Cc-BaBOF3 phases showing nonlinear optical effects and short deep-UV absorption edges, indicating their potential use as nonlinear optical materials. Research further demonstrates the influence of B-O/F interactions on creating new phases and enriches the crystal chemistry of fluorooxoborates.
CHEMISTRY OF MATERIALS
(2021)
Article
Multidisciplinary Sciences
Ulrich Burkhardt, Aimo Winkelmann, Horst Borrmann, Andreea Dumitriu, Markus Koenig, Grzegorz Cios, Yuri Grin
Summary: This study investigates the assignment of enantiomorphs using diffraction methods for X-rays and electrons. By comparing experimental and simulated Kikuchi patterns, enantiomorphs in polycrystalline materials of beta-Mn and Pt2Cu3B can be accurately determined.
Article
Materials Science, Ceramics
V. Sedykh, V. Rusakov, O. Rybchenko, A. Gapochka, K. Gavrilicheva, O. Barkalov, S. Zaitsev, V. Kulakov
Summary: The changes in substituted La0.5Sr0.5FeO3_ & gamma; orthoferrite under vacuum annealing in the temperature range of 200-650°C were investigated using X-ray diffraction, Mössbauer spectroscopy, and Raman spectroscopy. The annealing process resulted in a transition from rhombohedral to cubic structure at 650°C. The presence of oxygen vacancies and Fe4+ ions in the local environment of Fe3+ ions contributed to the variations observed in the Mössbauer spectra.
CERAMICS INTERNATIONAL
(2023)
Review
Materials Science, Multidisciplinary
Hiroyuki Saitoh
Summary: This paper describes high-pressure synthetic studies on novel hydrides, including the synthesis of lithium-containing hydrides and aluminum-based alloy hydrides. In-situ synchrotron radiation X-ray diffraction measurements are used to explore synthetic conditions, investigate reaction mechanisms, and characterize the thermodynamic stabilities of the obtained hydrides. Theoretical calculations based on first-principles calculations enable the prediction of thermal stability and crystal structure of the target hydrides, leading to the rapid discovery of novel hydrides.
MATERIALS TRANSACTIONS
(2023)
Article
Spectroscopy
M. N. G. Ferreira Junior, W. Paraguassu, A. O. dos Santos, C. M. R. Remedios
Summary: Raman spectroscopy and synchrotron radiation X-ray diffraction were used to investigate the effect of pressure on MBANP. The results showed that MBANP undergoes conformational phase transition under high pressure, as confirmed by changes in the Raman spectra and X-ray diffraction experiments.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Chemistry, Multidisciplinary
Kaige Shi, Logesh Mathivathanan, Vadym A. Drozd, Raphael G. Raptis
CRYSTAL GROWTH & DESIGN
(2019)
Article
Nanoscience & Nanotechnology
Shah Najiba, Stephen J. Juhl, Manik Mandal, Cong Liu, Andriy Durygin, Jiuhua Chen, Yingwei Fei, Nasim Alem, Kai Landskron
SCRIPTA MATERIALIA
(2019)
Article
Chemistry, Physical
Hooman Sabarou, Vadym Drozd, Osama Awadallah, Andriy Durygin, Shadi Darvish, Dehua Huang, Yu Zhong
JOURNAL OF ALLOYS AND COMPOUNDS
(2019)
Article
Materials Science, Multidisciplinary
M. Pekala, K. Pekala, J. Szydlowska, V Drozd
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2019)
Article
Engineering, Chemical
Eduin Yesid Mora Mendoza, Armando Sarmiento Santos, Enrique Vera Lopez, Vadym Drozd, Andriy Durygin, Jiuhua Chen, Surendra K. Saxena
Article
Geochemistry & Geophysics
Ruilian Tang, Jiuhua Chen, Qiaoshi Zeng, Yan Li, Xue Liang, Bin Yang, Yu Wang
Article
Engineering, Multidisciplinary
Andrew Smith, Mohammad Asadikiya, Mei Yang, Jiuhua Chen, Yu Zhong
Article
Materials Science, Multidisciplinary
Andrew Smith, Mohammad Asadikiya, Jiuhua Chen, Yu Zhong
COMPUTATIONAL MATERIALS SCIENCE
(2020)
Article
Multidisciplinary Sciences
Jin Liu, Chenxu Wang, Chaojia Lv, Xiaowan Su, Yijin Liu, Ruilian Tang, Jiuhua Chen, Qingyang Hu, Ho-Kwang Mao, Wendy L. Mao
Summary: A new oxygen-excess phase, OE-phase, has been discovered at pressures greater than 40 gigapascal, forming when (Mg, Fe)-bearing hydrous materials are heated over 1500 kelvin. This phase contains excess oxygen due to interactions between oxygen atoms, providing evidence of the extraordinary oxidation power of water at high pressure. The emergence of OE-phase out of (Mg,Fe)-bearing hydrous materials at depths greater than 1000 km in the Earth's mantle may revise our understanding of deep-mantle redox chemistry.
NATIONAL SCIENCE REVIEW
(2021)
Article
Multidisciplinary Sciences
Qingyang Hu, Jin Liu, Jiuhua Chen, Bingmin Yan, Yue Meng, Vitali B. Prakapenka, Wendy L. Mao, Ho-Kwang Mao
Summary: The mineralogical transformations in the deep lower mantle under high pressure-temperature conditions with the presence of water were investigated. A previously unknown (Mg,Fe)O2Hx phase was discovered, storing excessive oxygen beyond the charge balance of maximum cation valences. This phase has important implications for extreme redox inhomogeneity, deep-oxygen reservoirs in the lower mantle, and modulating oxygen in the atmosphere.
NATIONAL SCIENCE REVIEW
(2021)
Article
Multidisciplinary Sciences
Ewelina Magos-Palasyuk, Aleksander Litwiniuk, Taras Palasyuk
SCIENTIFIC REPORTS
(2020)
Article
Physics, Multidisciplinary
Bing Li, Yang Ding, Duck Young Kim, Lin Wang, Tsu-Chien Weng, Wenge Yang, Zhenhai Yu, Cheng Ji, Junyue Wang, Jinfu Shu, Jiuhua Chen, Ke Yang, Yuming Xiao, Paul Chow, Guoyin Shen, Wendy L. Mao, Ho-Kwang Mao
Summary: The study utilized high-energy synchrotron radiation to investigate the electronic band properties of hydrogen under high pressure in a diamond-anvil cell, finding that the electronic band gap of hydrogen decreased linearly at 90 GPa pressure, with a density increase of 8.6 times.
PHYSICAL REVIEW LETTERS
(2021)
Editorial Material
Multidisciplinary Sciences
Jiuhua Chen
NATIONAL SCIENCE REVIEW
(2021)
Article
Geosciences, Multidisciplinary
Mingqiang Hou, Yu He, Bo Gyu Jang, Shichuan Sun, Yukai Zhuang, Liwei Deng, Ruilian Tang, Jiuhua Chen, Feng Ke, Yue Meng, Vitali B. Prakapenka, Bin Chen, Ji Hoon Shim, Jin Liu, Duck Young Kim, Qingyang Hu, Chris J. Pickard, Richard J. Needs, Ho-Kwang Mao
Summary: Under high pressure and temperature conditions, hydrogen in the pyrite-type FeO2Hx transitions to a diffusive state, leading to a superionic transition with increased electrical conductivity, fresh transport mechanisms for charge and mass, and impacts on the geophysical behaviors and geochemical processes of Earth's deep mantle.
Article
Chemistry, Physical
Yan Li, Meiyan Ye, Ruilian Tang, Jiuhua Chen, Xin Qu, Bin Yang, Xin Wang, Huijuan Yue, Pinwen Zhu
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2020)