Article
Spectroscopy
F. M. Rufino, D. L. M. Vasconcelos, P. T. C. Freire, R. C. Oliveira, C. M. R. Remedios, J. H. da Silva, F. G. Alabarse, J. A. Lima
Summary: Maleic acid was studied under high pressure conditions using Raman spectroscopy and powder synchrotron XRD. The results showed a decrease in lattice parameters and a reduction in unit cell volume. Changes in compressibility were observed at specific pressure points.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Spectroscopy
Wen Yang, Hui-li Wei, Tian-yi Yu, Jie Ding, Jun-ru Jiang, Jian Wang, Zhi-jun He, Hong-yang Zhu
Summary: In this study, the distinct behaviors of 4-azidobenzoic acid (4-ABA) under high pressure conditions (up to 18 GPa) were investigated. Raman spectroscopy and synchrotron angle-dispersive X-ray diffraction experiments revealed a phase transition of 4-ABA at 0.8-1.3 GPa and a conformational change at 6.3 GPa. The phase transition was attributed to the distortion of the benzene ring, while the conformational change was due to the alteration of hydrogen bonds. At pressures above 11.2 GPa, the interplanar distance of 4-ABA increased, as indicated by the movement of the (112) Bragg peak towards a low angle. Compression to 18.0 GPa resulted in the amorphization of 4-ABA, which is beneficial for nitrogen polymerization. This study provides insights into the evolution of azide groups under high pressure and contributes to the understanding of the mechanism of polymeric nitrogen formation.
JOURNAL OF RAMAN SPECTROSCOPY
(2023)
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
Spectroscopy
Yang Wen, Wei Huili, Yu Tianyi, Jiang Junru, Wang Jian, He Zhijun, Hou Xinmei, Cui Qiliang, Zhu Hongyang
Summary: The behavior of Diphenylphosphoryl azide (DPPA) under pressure was studied using in situ Raman scattering spectroscopy and synchrotron angle-dispersive X-ray diffraction. The study revealed that DPPA undergoes two phase transitions at 0.4 GPa and 1.3 GPa, accompanied by changes in molecular conformation and deformation of benzene rings. XRD results showed that DPPA remains in a liquid state during the phase transitions. The decompositon of the azide group occurs at 11.6 GPa, suggesting the potential formation of polymeric nitrogen. Understanding the behavior of the azide group under pressure is important for the synthesis of high energy density materials using DPPA.
JOURNAL OF RAMAN SPECTROSCOPY
(2022)
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
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
Materials Science, Ceramics
Irena Jankowska-Sumara, Jae-Hyeon Ko, Andrzej Majchrowski
Summary: Pb(Hf1-xSnx)O-3 single crystals with x = 0.08 were characterized using single-crystal X-ray diffraction and Raman scattering. Information about the structure of two intermediate phases and the optical phonons in the crystals were obtained. The study also revealed the control of soft modes on phase transitions in antiferroelectric phases.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2021)
Article
Chemistry, Inorganic & Nuclear
Sumit Ranjan Maity, Brajesh Tiwari, Martando Rath, M. S. Ramachandra Rao
Summary: A composition-driven structural phase transition in the ferroelectric PbZrxTi1-xO3 (PZT) system near the morphotropic phase boundary (MPB) has been investigated. The system exhibits a coexistence of tetragonal and rhombohedral phases. The Raman spectrum and photoluminescence emission spectrum provide insights into the structural transition and the resonance Raman effect in PZT ceramics.
JOURNAL OF SOLID STATE CHEMISTRY
(2023)
Article
Engineering, Chemical
Chitra Sivakumar, Jarvis A. Stobbs, Kaiyang Tu, Chithra Karunakaran, Jitendra Paliwal
Summary: This study investigates the molecular changes in roller-milled green lentil flours caused by mill settings and blending of fractions. The use of advanced techniques such as synchrotron X-rays, FTIR spectroscopy, and laser diffraction provides a deeper understanding of the particle size, crystallinity, and starch/protein quality differences between flour blends and streams. The development of a principal component analysis model allows for the classification of samples based on their carbohydrate and protein profiles. This research is crucial for the food industry to utilize pulse flours in the creation of nutritionally dense foods.
Article
Materials Science, Ceramics
Housei Akazawa
Summary: This report introduces a method to evaluate the crystallographic orientation and crystallinity of HAp thin films using Raman scattering spectroscopy. By analyzing the Raman spectra, the presence or absence of certain signals can indicate the orientation of HAp crystals. Another approach involves evaluating crystallinity based on the line width of specific Raman signals.
CERAMICS INTERNATIONAL
(2022)
Article
Spectroscopy
Joao Elias F. S. Rodrigues, Renilton C. Costa, Paulo S. Pizani, Antonio C. Hernandes, Jose A. Alonso
Summary: The structural ordering process plays a crucial role in complex perovskites for tuning various physical properties and is essential for designing high-performance devices. In this study, the coexistence of B-site 1:1 and 1:2 order types in mixed ordered A(3)CaNb(2)O(9) perovskite was investigated using Raman spectroscopy and high-resolution synchrotron X-ray powder diffraction. The results showed that Raman spectroscopy can be used as a rapid tool to probe the achievement of ordered, partially ordered, or disordered structures in complex perovskites.
JOURNAL OF RAMAN SPECTROSCOPY
(2022)
Article
Engineering, Mechanical
D. J. Shadle, M. P. Miller, K. E. Nygren
Summary: This study presents a framework for real-time monitoring of the evolution of a deforming polycrystal using principal component analysis (PCA) applied to X-ray diffraction image data. The researchers discovered correlations between PCA of the diffraction data and the physical processes in the polycrystal, which is significant for understanding fatigue failure processes.
INTERNATIONAL JOURNAL OF FATIGUE
(2022)
Article
Geosciences, Multidisciplinary
Yukai Zhuang, Xiaowan Su, Nilesh P. Salke, Zhongxun Cui, Qingyang Hu, Dongzhou Zhang, Jin Liu
Summary: Although nitrogen in the Earth's interior has received significant attention, it remains enigmatic in the Earth's core. This study conducted XRD and electrical conductivity experiments on iron nitrides, showing their stability up to 70 GPa and higher compressibility compared to iron carbides. The electrical and thermal conductivities of iron nitrides were found to be lower than iron carbides, indicating potential geophysical explanations for phenomena in the deep Earth.
GEOSCIENCE FRONTIERS
(2021)
Review
Metallurgy & Metallurgical Engineering
Youhong Peng, Kesong Miao, Wei Sun, Chenglu Liu, Hao Wu, Lin Geng, Guohua Fan
Summary: Characterizing the microstructure and deformation mechanism of metallic materials is crucial for understanding the microstructure-property relationship. Advanced synchrotron radiation facilities have enabled non-destructive visualization of full-field structural information in three dimensions, contributing to significant progress in recent decades. Future innovations in next-generation synchrotron radiation and emerging technologies hold great potential for further advancements in material characterization.
ACTA METALLURGICA SINICA-ENGLISH LETTERS
(2022)
Review
Chemistry, Physical
Yann Le Godec, Alexandre Courac
Summary: High-pressure synthesis, particularly in the range of 1 to several GPa, is a promising approach for exploring new compounds that are inaccessible to traditional chemical methods. In situ synchrotron X-ray diffraction is an important methodology in this field, allowing for rapid exploration of composition-pressure-temperature-time space. Large volume presses designed for in situ exploration have been developed for discovering and scaling stable or metastable compounds under traditional industrial pressure range.
Article
Materials Science, Multidisciplinary
Zhipeng Yan, Ketao Yin, Zhenhai Yu, Xin Li, Mingtao Li, Ye Yuan, Xiaodong Li, Ke Yang, Xiaoli Wang, Lin Wang
APPLIED MATERIALS TODAY
(2020)
Article
Chemistry, Physical
Hongyang Zhu, Yanmei Chen, Jianfu Li, Guangliang Cui, Xiaoli Wang
JOURNAL OF ALLOYS AND COMPOUNDS
(2020)
Article
Physics, Condensed Matter
Shishan Xin, Dianchen Du, Fangxu Wang, Qi Rui, Qinglin Wang, Xiaoliang Zhao, Jianfu Li, Dongjiang Yang, Hongyang Zhu, Xiaoli Wang
Summary: The properties of ZnN6 under high pressure were studied using first-principles calculations, revealing three different high-pressure phases. The I41md phase was found to be the most stable, with a promising energy density of about 4.70 kJ/g, making it a potential candidate for High Energy Density Materials (HEDMs).
PHYSICA B-CONDENSED MATTER
(2021)
Article
Physics, Multidisciplinary
Xiaofeng Wang, Qinglin Wang, Tianru Qin, Guozhao Zhang, Haiwa Zhang, Dandan Sang, Cong Wang, Jianfu Li, Xiaoli Wang, Cailong Liu
Summary: In this study, in situ impedance measurements, Raman measurements, and theoretical calculations were used to investigate the electrical transport and vibrational properties of polycrystalline phenanthrene. The results showed two phase transitions in the Raman spectra and an amorphous phase transformation above 12.1 GPa, with grain boundaries playing a dominant role in carrier transport. The dielectric performance of phenanthrene was effectively improved under pressure, and theoretical calculations revealed enhanced intramolecular interactions under compression, providing new insights into electrical properties and grain boundary effects in organic semiconductors at high pressure.
FRONTIERS IN PHYSICS
(2021)
Article
Physics, Multidisciplinary
Chunmei Fan, Shan Liu, Jingyi Liu, Binbin Wu, Qiqi Tang, Yu Tao, Meifang Pu, Feng Zhang, Jianfu Li, Xiaoli Wang, Duanwei He, Chunyin Zhou, Li Lei
Summary: This study observed an isostructural phase transition in solid nitrogen (lambda-N-2) under high pressure. The anomalies in lattice parameters, atomic volume, and Raman vibron modes are attributed to a slight reorientation of the nitrogen molecules, while maintaining the monoclinic symmetry. Ab initio calculations further confirmed these phenomena and proposed an optimized structure for the lambda-N-2 phase. In addition, a new high-pressure amorphous phase of eta'-N-2 was discovered during the investigation of the pressure-temperature phase diagram of nitrogen, providing valuable information about the crystallographic nature of dissociation transitions in diatomic molecular crystals (H-2, O-2, N-2, etc).
CHINESE PHYSICS LETTERS
(2022)
Article
Physics, Condensed Matter
Yixuan Li, Fubo Tian, Qingyan Zhou, Mengxin Yang, Youchun Wang, Changmin Shi, Xiaoli Wang
Summary: The density-functional theory was used to search for candidate structures of the Li-Ga-Te system below 100 GPa, resulting in the discovery of several new stable structures. Additionally, a new chemical valence state of Ga atoms under high pressure was found, indicating a change in valence state due to the dense accumulation of Li atoms and high pressure.
SOLID STATE COMMUNICATIONS
(2021)
Article
Physics, Multidisciplinary
Zhenzhen Xu, Qi Rui, Yanlei Geng, Jianfu LI, Qinglin Wang, Xiaolin Wang
Summary: This work reports the static pressure-induced decomposition of cadmium iodide into cadmium and iodine solids using a structure prediction approach combined with first-principles calculations. The decomposition of CdI2 into Cd and I occurs at 61.5GPa, contrary to the common intuition that pressure stabilizes and densifies materials. The increase in the enthalpy difference between the compound and the element, resulting from the increase in the Delta PV term and Delta U with pressure, contributes to the decomposition of CdI2. On the other hand, the decrease in charge transfer between atoms under pressure leads to a decrease in the Coulomb interaction, ultimately inducing the decomposition of CdI2 into Cd and I solids. This work represents a significant advancement in understanding the high-pressure behaviors of Cd-I systems and highlights the influence of pressure parameters in certain materials.
Article
Physics, Condensed Matter
Fangxu Wang, Qi Rui, Qiwen Jiang, Jianfu Li, Hongyang Zhu, Qinglin Wang, Xiaoli Wang
Summary: Through calculations and structure searching, this study investigates various structures of YN components and establishes corresponding pressure and composition diagrams as well as phase diagrams. The YN10 structure is found to have a high energy density under ambient conditions and better dynamic stability under high pressure.
SOLID STATE COMMUNICATIONS
(2022)
Article
Physics, Multidisciplinary
Jiani Lin, Fangxu Wang, Qi Rui, Jianfu Li, Qinglin Wang, Xiaoli Wang
Summary: A structural search predicts the existence of a novel alkaline earth nitride, BeN4, with a square planar N-4(2-) ring. This compound exhibits a unique chemical bonding pattern and has potential as a high-energy-density material.
MATTER AND RADIATION AT EXTREMES
(2022)
Article
Materials Science, Multidisciplinary
Qinglin Wang, Xiaofeng Wang, Jianfu Li, Tianru Qin, Dandan Sang, Jiaoli Liu, Feng Ke, Xiaoli Wang, Yinwei Li, Cailong Liu
Summary: The conduction behavior of cesium azide under high-pressure was studied, revealing that grain boundaries play a crucial role in improving the conductivity of metal azides under high pressure.
JOURNAL OF MATERIALS CHEMISTRY C
(2021)
Article
Chemistry, Physical
Jiani Lin, Dong Peng, Qinglin Wang, Jianfu Li, Hongyang Zhu, Xiaoli Wang
Summary: This research presents a new stable phase C2/m-ScN5 and previously reported ScN3 in the Sc-N system, both of which exhibit high energy density and stability under ambient conditions. The chemical bonding analysis reveals that nitrogen atoms in the N-6(6-) chains are connected by covalent bonds.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Yue Li, Huanpeng Bu, Qinglin Wang, Jiani Lin, Xiaoli Wang, Jianfu Li, Pinwen Zhu, Hongyang Zhu
Article
Materials Science, Multidisciplinary
Mingtao Li, Kailang Xu, Ming Xu, Yifei Fang, Zhipeng Yan, Nana Li, Zhenhai Yu, Jinbo Zhang, Curtis Kenney-Benson, Xiaoli Wang, Lin Wang
Article
Chemistry, Multidisciplinary
Qinglin Wang, Dandan Sang, Shitai Guo, Xiaoli Wang, Wenjun Wang, Bingyuan Zhang, Haiquan Hu, Quli Fan, Cailong Liu
Article
Physics, Multidisciplinary
Jianfu Li, Shitai Guo, Zuoqin Zhu, Jiani Li, Haiyan Lv, Hongzhe Pan, Hongyang Zhu, Xiaoli Wang