Article
Chemistry, Inorganic & Nuclear
Tobias A. Teichtmeister, Christian Paulsen, Sebastian J. Ambach, Klaus Wurst, Lkhamsuren Bayarjargal, Wolfgang Schnick, Hubert Huppertz
Summary: Here, we report the high-pressure/high-temperature synthesis of Tb3B10O17(OH)5 using a modified Walkertype multianvil device. The crystal structure of this rare-earth borate was determined by single-crystal X-ray diffraction methods and found to belong to the orthorhombic space group Pmn21 (no. 31), with unit cell parameters of a = 16.2527(4), b = 4.4373(1), and c = 8.8174(2) Å. The compound was characterized using infrared spectroscopy, energy-dispersive X-ray spectroscopy, second harmonic generation (SHG) measurements, and temperature-dependent X-ray powder diffraction. Tb3B10O17(OH)5 decomposes to /g-Tb(BO2)3 above 460 degrees C, and the formation of & mu;-TbBO3 was observed with increasing temperatures, which transforms to z-TbBO3 upon cooling.
JOURNAL OF SOLID STATE CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Tobias A. Teichtmeister, Lkhamsuren Bayarjargal, Gunter Heymann, Hubert Huppertz
Summary: Monoclinic Tb3B12O19(OH)7 was obtained through multianvil high-pressure/high-temperature syntheses, and its crystal structure was investigated using various techniques.
SOLID STATE SCIENCES
(2023)
Article
Chemistry, Inorganic & Nuclear
Tobias A. Teichtmeister, Lkhamsuren Bayarjargal, Klaus Wurst, Gunter Heymann, Hubert Huppertz
Summary: We describe the synthesis of a novel praseodymium molybdenum borate compound under high-pressure/high-temperature conditions. The compound, Pr3Mo4B6O24(OH)(3), exhibits monoclinic crystal system and presents a new structure type. The structure was determined through single-crystal structure determination and subsequently confirmed by powder X-ray diffraction, second harmonic generation measurement, single-crystal infrared, and Raman spectroscopic investigation.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2023)
Article
Multidisciplinary Sciences
Cong Hu, Meng Cheng, Wenqi Jin, Jian Han, Zhihua Yang, Shilie Pan
Summary: The design of new materials with special performances, especially deep-ultraviolet nonlinear optical materials, is challenging due to the difficulty in balancing large bandgaps and strong second harmonic generation responses. Cation variation influences the structure frameworks and electronic structures, leading to uncontrollable properties of designed materials. This study proposes a novel approach to characterize the role of cations and explores the influences of cation variation on property changes. A feasible strategy of designing deep-ultraviolet nonlinear optical materials by substituting barium for lead has been concluded, achieving property optimization in fluorooxoborates.
Article
Chemistry, Multidisciplinary
Haotian Qiu, Fuming Li, Zhi Li, Zhihua Yang, Shilie Pan, Miriding Mutailipu
Summary: This article reports two new borate halides with moderate birefringence and small walk-off angle, which are caused by the nonparallel arrangement of clusters. This study is of great significance for understanding the properties of borates and improving their applications.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Inorganic & Nuclear
Tobias A. Teichtmeister, Michael M. Hladik, Hubert Huppertz
Summary: The new compound Tb2SiB2O8 was synthesized at high pressure and high temperature (11 GPa, 1300 degrees C). This rare earth borosilicate has an orthorhombic crystal structure with the space group Pbcn (no. 60) and unit cell parameters of a = 13.2480(3) Å, b = 4.3904(1) Å, and c = 9.1611(3) Å. It is composed of corner-sharing [BO4] tetrahedra forming infinite chains, which are connected to layers via [SiO4] tetrahedra. The layers are connected via [TbO7] polyhedra.
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES
(2023)
Article
Materials Science, Multidisciplinary
Elisabeth Selb, Toni Buttlar, Oliver Janka, Martina Tribus, Stefan G. Ebbinghaus, Gunter Heymann
Summary: A new high-pressure phase of Co3TeO6 was obtained through high-pressure/high-temperature multianvil synthesis, exhibiting good magnetic and magnetoelectric properties with stable structure and semiconductor nature.
JOURNAL OF MATERIALS CHEMISTRY C
(2021)
Article
Chemistry, Physical
Victor Atuchin, Alexey Subanakov, Aleksandr Aleksandrovsky, Bair Bazarov, Jibzema Bazarova, Alexander Krylov, Maxim Molokeev, Aleksandr Oreshonkov, Alexey Pugachev
Summary: A new noncentrosymmetric alkali rare-earth double borate, Rb3SmB6O12, was discovered in the ternary system Rb2O-Sm2O3-B2O3. It has a three-dimensional framework structure with [B5O10](5-) groups linked to Sm-O polyhedra and SmO6 octahedra. Rb3SmB6O12 exhibits good thermal stability and nonlinear optical response.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Multidisciplinary
Sergey Rashchenko, Anton F. Shatskiy, Mark A. Ignatov, Anton Arefiev, Konstantin D. Litasov
Summary: A new non-centrosymmetric crystal K2Ca3(CO3)(4) was synthesized, belonging to the extended M-5(XO3)(4) structural type. It was found that cation-substituted derivatives of K2Ca3(CO3)(4) can be synthesized at significantly lower pressures, indicating potential for further research in this area.
Article
Chemistry, Inorganic & Nuclear
Zhikang Chen, Kewang Zhang, Zijian Li, Fangfang Zhang, Zhihua Yang, Shilie Pan
Summary: Three mixed-alkali-metal fluorooxoborates with similar structures were acquired in a closed system. They exhibit moderate birefringence and large band gaps on the order of 7.0 eV, suitable for deep-ultraviolet (DUV) applications.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Yu Huang, Ting-kun Jiang, Bing-Ping Yang, Chun-Li Hu, Zhi Fang, Jiang-Gao Mao
Summary: In this study, two new indium iodate-nitrates were designed by integrating hybrid anionic functional units, showing large birefringence and wide band gaps. The synergistic effect of IO3 and NO3 anionic groups played an important role in determining these properties. The structural changes introduced by isovalent substitution greatly enhanced the birefringence, providing an interesting approach for the discovery of new optical materials.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Liying Ren, Linhong Cheng, Xiaoyan Zhou, Jinxuan Ren, Liling Cao, Ling Huang, Xuehua Dong, Yuqiao Zhou, Daojiang Gao, Guohong Zou
Summary: Two new birefringent materials were successfully synthesized, and the birefringence was enhanced by regulating the arrangement. Detailed analysis showed that the ideal spatial arrangement could induce strong optical anisotropy, providing a new idea for designing high-quality birefringent materials.
INORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Chemistry, Inorganic & Nuclear
Wenjuan Ma, Jie Zhang, Feng Yu, Bin Dai
Summary: In this study, two new zincoborates NaK5Zn2(B5O10)2 and fi-K3ZnB5O10 were successfully synthesized with regulated polymerization degree of B-O units and structural arrangement. The transmittance spectra and theoretical calculations showed that these compounds exhibit excellent properties in the deep ultraviolet range, with NaK5Zn2(B5O10)2 having the potential to be used as a deep-UV waveplate material. The reason for the higher birefringence of fi-K3ZnB5O10 was analyzed from a structural perspective.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Sergey N. Volkov, Sergey M. Aksenov, Valentina A. Yukhno, Rimma S. Bubnova, Alexey Povolotskiy, Maxim Yu Arsent'ev, Valery L. Ugolkov, Maria G. Krzhizhanovskaya
Summary: Temperature-dependent structural investigations were conducted on layered pentaborate NaSr[B5O9], showing slightly anisotropic thermal expansion behavior and an increase in monoclinic beta angle above 600 degrees C. The structure type strongly depends on the ionic radii difference between alkaline A(+) and alkaline-earth B2+ cations. Furthermore, ab initio calculations revealed the instability of the compound KCa[B5O9] due to size mismatch of the K+ and Ca2+ cations.
CRYSTAL GROWTH & DESIGN
(2022)
Review
Chemistry, Multidisciplinary
Zhihua Yang, Shilie Pan
Summary: With the rapid development of computer technology, material design and crystal-structural prediction based on density functional theory have become one top-down strategy to accelerate the process of advanced materials discovery. This review outlines several examples for material design and prediction driving the discovery of deep-ultraviolet nonlinear optical materials, discussing the computer-aided platform and property-driven multistage design process. Despite grand challenges, it is hoped that the computer-aided strategy will enhance the ability to identify promising nonlinear optical candidates.
MATERIALS CHEMISTRY FRONTIERS
(2021)
Article
Chemistry, Inorganic & Nuclear
Caleb J. Bennett, Helen E. A. Brand, Alexander K. L. Yuen, Maria K. Nicholas, Brendan J. Kennedy
Summary: The temperature dependence of the crystal structure of Potassium Hexaiodoplatinate(IV) between 80 and 500 K is studied. Different crystal structures are observed at different temperatures, including monoclinic, tetragonal, and cubic structures. Accurate determination of the structures of K2PtI6 is important for further theoretical and practical research.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Zhuo Zeng, Jiangfu Zheng, Xiaoming Li, Changzheng Fan, Rongying Zeng, Wenqing Tang
Summary: An efficient method for phosphate removal from wastewater is urgently needed due to the environmental issue caused by excessive phosphorus. In this study, calcium aluminum layered double hydroxides (CaAl-LDHs) and six amino acid intercalated calcium aluminum layered double hydroxides (CaAl-amino acid-LDHs) were prepared and compared for their phosphate adsorption performance. L-Aspartic acid intercalated calcium aluminum layered double hydroxides (CaAl-Asp-LDHs) exhibited the highest phosphate adsorption capacity and faster removal rate compared to CaAl-LDHs. The phosphate adsorption mechanism on CaAl-Asp-LDHs involved electrostatic attraction, hydrogen bonds, complexation, and ion exchange. This environmentally friendly material shows promising potential for efficient phosphate removal from aquatic environments.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Rouzbeh Aghaei Hakkak, Thomas Schleid
Summary: The novel guanidinium hydro-closo-borates with [BnHn]2- (n = 10 and 12) anions were successfully synthesized via direct reaction. The crystal structures exhibit hydrogen bonding interactions and have the potential to facilitate H2 generation.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Liqiang Ma, Pengpeng Wei, Jingfang Li, Liye Liang, Guangming Li
Summary: A novel catalyst, H4PVMo2W9O40@rht-MOF-1, was developed using a one-pot hydrothermal method. It exhibited high efficiency and reusability in esterification reactions.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Liudmila A. Gorelova, Valentiva A. Yukhno, Maria G. Krzhizhanovskaya, Oleg S. Vereshchagin
Summary: Two new Ga-Ge disordered feldspar-related compounds were successfully synthesized using melt crystallization methods. Their stability and thermal expansion properties were studied under high-temperature conditions. The results showed that both compounds are stable within the studied temperature range and exhibit anisotropic thermal expansion.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Seifeddine Bdey, Nesrine Boussadoune, Francois Allard, Jacques Huot, Gabriel Antonius, Noura Fakhar Bourguiba, Pedro Nunez
Summary: The structure of a novel arsenate compound Na3Al3(AsO4)4 has been determined using X-ray diffraction. The crystal exhibits a monoclinic space group with suitable pathways for Na+ ion migration. The accuracy of the structural model was confirmed using various validation tools and density functional theory calculations.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Amit Kumar Atri, Ujwal Manhas, Sumit Singh, Irfan Qadir, Shikha Sharma, Preteek Sharma, Devinder Singh
Summary: This study synthesizes new oxygen deficient triple layered Ruddlesden-Popper (RP) phases via sol-gel method and investigates the effects of Cr3+ doping on their structural, optical, magnetic, and photocatalytic properties. The experimental results demonstrate that Cr3+ doping alters the interactions and leads to excellent photocatalytic performance in some phases.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Dat Le Thanh, Amandine Guiet, Emmanuelle Suard, Romain Berthelot
Summary: In this study, FeNb11O29 powder samples were prepared using a microwave-assisted solid-state synthesis method for the first time. The samples obtained rapidly from submicrometric oxide precursors showed enhanced cycling performance, possibly due to the easier ionic diffusion occurring in the smaller particles.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Raimund Ziegler, Felix R. S. Purtscher, Thomas S. Hofer, Gunter Heymann, Hubert Huppertz
Summary: We have successfully synthesized a new tellurium borate crystal under high-pressure and high-temperature conditions. The crystal structure and theoretical calculations have been thoroughly discussed.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Subhendu Jana, Eric A. Gabilondo, Paul A. Maggard
Summary: This study reports the synthesis and characterization of two previously unknown multinary selenides, Ba8Hf2Se11(Se-2) and Ba9Hf3Se14(Se-2), which display unique structures and optoelectronic properties competitive with existing perovskite-type chalcogenides.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Fei Ruan, Chonggui Lei, Fenglong Zhang, Jinxiao Bao, Fen Zhou, Min Xie, Pengfei Xu, Jianquan Gao
Summary: Studying the diffusion properties of hydrogen is important for designing new proton conductors. In the past, the chemical diffusion coefficient of hydrogen in proton conductors was usually obtained through a manual calculation method, resulting in difficulty in controlling the calculation accuracy. To address this issue, a mathematical algorithm and C language computer program were developed to calculate the chemical diffusion coefficient based on Fick's second law and Romberg numerical integral. The algorithm showed high precision and powerful computing function, and has the potential to replace the manual calculation method in calculating the chemical diffusion coefficient for hydrogen in proton conductors.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Deepika Shanubhogue, Suraj Mangavati, Ashok Rao, Ru-Ting Tsao, Yung-Kang Kuo
Summary: In this study, the effect of Y doping at the Sn-site on the structural, electrical, and low-temperature thermoelectric properties of the Cu2SnSe3 system is investigated. Y-doped compounds Cu2Sn1-xYxSe3 show reduced electrical resistivity, enhanced power factor, and decreased thermal conductivity, resulting in higher ZT values.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Wei Hong, Min Qing, Xun He, Lei Wang, Yu Pu, Qiyu Li, Zhimin He, Qin Dong, Rong Li, Xinglong Gou
Summary: This study developed a simple method to prepare SnS2 nanosheets and assembled them with MXene to form SnS2/MXene. The composite material exhibited abundant active sites, superior electron/ion transfer kinetics, and a unique 2D interlayer structure, resulting in high specific capacity, outstanding rate capability, and excellent cycling stability, with potential applications in LIBs.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Heng-Yu Ruan, Xue-Qian Wu, Tian-Yu Zhang, Yi Yuan, Le Wang, Ya-Pan Wu, Qing-Wen Han, Ruan Chi, Dong-Sheng Li
Summary: Two isostructural metalorganic frameworks (MOFs), CTGU-36-Co and CTGU-36-Ni, were synthesized, and CTGU-36-Ni demonstrated high activity as a molecular electrocatalyst for the methanol oxidation reaction.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Rachid Fakhreddine, Ali Ouasri, Abderrahim Aatiq
Summary: This paper reports the synthesis, structure, and spectroscopic studies of three novel metal orthophosphate salts. The structures of these compounds were refined using X-ray powder diffraction data. The infrared and Raman analysis revealed their symmetries and the UV-visible investigation determined their optical properties.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)