Article
Chemistry, Physical
Kaiming Zhu, Zhanglin Chen, Hui Liu, Xin Yi, Yihuan Wang, Junjie Chen, Xuanyi Yuan, Guanghua Liu
Summary: A series of CaAlSiN3:Ln (Ln=Eu, Ce, Dy, Pr, Tb, Gd, Sm, Tm, Nd) phosphors were successfully prepared by combustion synthesis, and their polychromatic visible afterglow emissions were observed. CaAlSiN3:Eu2+ and CaAlSiN3:Ce3+ showed the best red and yellow long persistent luminescence with persistent times of 4980 s and 4860 s, respectively. Eu2+, Ce3+ co-doped CaAlSiN3 exhibited enhanced red long persistent luminescence with a persistent time of 6300 s, attributed to a more appropriate trap depth distribution.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Ravi P. N. Shankar, Fabio Orlandi, Pascal Manuel, Weiguo Zhang, P. Shiv Halaysyamani, A. Sundaresan
Summary: The study investigates the structural, magnetic, and electrical properties of a new family of doubly ordered perovskites NaLnNiWO(6) synthesized under high-pressure and high-temperature conditions. These materials exhibit a unique crystal structure with antiferromagnetic order of Ni2+ ion moments and a polar structure without electric polarization but with dielectric anomalies.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Inorganic & Nuclear
Gopabandhu Panigrahi, Subhendu Jana, Mohd Ishtiyak, S. Narayanswamy, Pinaki P. Bhattacharjee, K. V. Ramanujachary, Manish K. Niranjan, Jai Prakash
Summary: Three new isostructural quaternary tellurides, Ba(2)Ln(1-x)Mn(2)Te(5) (Ln = Pr, Gd, and Yb), were synthesized by the molten-flux method at 1273 K, and they crystallize in the monoclinic crystal system with partially filled Ln sites. These structures do not contain any homoatomic or metallic bonding.
DALTON TRANSACTIONS
(2021)
Article
Chemistry, Inorganic & Nuclear
Mudithangani T. K. Kolambage, George Wetzel, Kelliann Koehler, Colin D. McMillen, Joseph W. Kolis
Summary: The phase space of reactions between rare earth oxides and ReO2 under high temperature hydrothermal conditions was investigated. Different materials, such as Ln2ReO5, Ln3ReO7, and Ln6ReO12, were obtained, showing a variety of rhenium oxidation states.
JOURNAL OF SOLID STATE CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Andrey Aslandukov, Pascal L. Jurzick, Maxim Bykov, Alena Aslandukova, Artem Chanyshev, Dominique Laniel, Yuqing Yin, Fariia I. Akbar, Saiana Khandarkhaeva, Timofey Fedotenko, Konstantin Glazyrin, Stella Chariton, Vitali Prakapenka, Fabrice Wilhelm, Andrei Rogalev, Davide Comboni, Michael Hanfland, Natalia Dubrovinskaia, Leonid Dubrovinsky
Summary: A series of isostructural Ln(3)O(2)(CN3) compounds were successfully synthesized under high-pressure high-temperature conditions. The crystal structure of these compounds was determined and confirmed using SCXRD, XANES measurements, and DFT calculations. It was also found that the unit cell volumes and compressibility of the compounds were influenced by the lanthanide contraction phenomenon. Additionally, the stabilization of the CN35- guanidinate anion at ambient conditions provides new opportunities in inorganic and organic synthetic chemistry.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Joana M. F. Barros, Glauber J. T. Fernandes, Marcio D. S. Araujo, Dulce M. A. Melo, Amanda D. Gondim, Valter J. J. Fernandes Jr, Antonio S. Araujo
Summary: Nanostructured lanthanide-silica materials of the Ln-SiO2 type were synthesized by hydrothermal method using cetyltrimethylammonium as a template. The materials were characterized and their properties were found to be influenced by the incorporation of lanthanides. The stability of the materials at high temperatures demonstrated their potential for adsorption and catalysis applications.
Article
Electrochemistry
Yanxing Zhang, Wei Wang, Yudong Wang, Nengneng Xu, Guang Tian, Tolga N. Karsili, Jinbo Yang, Xiao Dong Zhou
Summary: Praseodymium nickelate (PNO) is a promising electrode for oxygen reduction reactions in solid oxide fuel cells, but it undergoes phase transformation during operation. The formation of peroxide species due to oxygen and praseodymium vacancies limits oxygen ion migration, decreasing ORR activity. La, Nd, and Pm are proposed as potential substitutes in PNO to achieve a stable structure.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2021)
Article
Chemistry, Physical
Brian A. . Wuille Bille, Anna C. Kundmann, Frank E. Osterloh, Jesus M. Velazquez
Summary: Lanthanoid oxysulfides were synthesized and characterized, and their electronic and photophysical properties were thoroughly discussed. The oxysulfides were found to have direct band gaps and exhibit n-type semiconductor behavior, with mid-band gap states possibly arising from 4f orbitals and crystal structure defects. These findings suggest possible applications of the oxysulfides in photoelectrochemical and photovoltaic energy conversion.
CHEMISTRY OF MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Min Hee Joo, So Jeong Park, Sung-Min Hong, Choong Kyun Rhee, Youngku Sohn
Summary: In this study, a large dataset of lanthanide (III) ions' electrochemical behaviors and electrodeposition on bare and terpyridine-functionalized Ti sheets was established. The experimental results demonstrated that the electrodeposited lanthanide materials were similar lanthanide complexes, which could be valuable for understanding lanthanide ions' electrochemical behaviors and improving recovery methods.
MATERIALS TODAY COMMUNICATIONS
(2021)
Article
Chemistry, Inorganic & Nuclear
Tatiana A. . Pomelova, Charlene Delacotte, Natalia Kuratieva, Pierric Lemoine, Stephane Cordier, SangJun Park, Thierry Guizouarn, Vincent Pelletier, Regis Gautier, Nikolay G. Naumov
Summary: This work presents the synthesis, crystal and electronic structures, and magnetic properties of new quaternary sulfides Cs2Ln3CuS8 (Ln = La-Nd, Sm-Tb). These sulfides are prepared using a reactive flux method and exhibit a new type of structure (C2/m space group) with a layer-like crystal structure. The Cs2Gd3CuS8 compound shows significant magnetic refrigerating properties with a mass entropy change (-Delta SM) of 19.5 J kg-1 K-1 at 3.5 K and Delta H = 5 T.
INORGANIC CHEMISTRY
(2023)
Article
Materials Science, Multidisciplinary
Bei Huang, Wang Zhu, Lizhong Sun, Zengsheng Ma
Summary: In this paper, first-principles calculations are conducted to investigate the properties of rare-earth tantalates Ln3Ta5O15 compounds. The results demonstrate that tetragonal Ln3Ta5O15 compounds have low thermal conductivity, compatible coefficients of thermal expansion, high melting points, excellent mechanical properties, and good thermal shock resistance, making them potential candidates for new thermal barrier coatings.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Victor L. Vinograd, Andrey A. Bukaemskiy, Giuseppe Modolo, Guido Deissmann, Dirk Bosbach
Summary: The study introduces a unified structural-thermodynamic model to investigate the dependence of oxygen on fluorite solid solutions. It identifies contrasting structural and thermodynamic changes due to doping with different elements, which are associated with lattice parameters and oxidation resistance.
FRONTIERS IN CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Ceren Kutahyali Aslani, Vladislav V. Klepov, Mahmoud A. A. Aslani, Hans-Conrad Zur Loye
Summary: The detailed structural analysis and luminescence properties of novel iodates Ln(2)(IO3)(3)(IO4) were successfully obtained via mild hydrothermal synthesis. The structures were determined by single-crystal X-ray diffraction, with the band gaps of La-2(IO3)(3)(IO4) and Nd-2(IO3)(3)(IO4) estimated to be 3.0 and 3.4 eV. La-2(IO3)(3)(IO4) was used as a host matrix for Eu, Tb, and Dy doping to introduce luminescence.
CRYSTAL GROWTH & DESIGN
(2021)
Article
Materials Science, Multidisciplinary
A. Mitrofanova, E. A. Fortalnova, M. G. Safronenko, E. D. Politova
Summary: The phase formation in the Ln(2)Bi(3)FeTi(3)O(15) series was investigated, and it was observed that a layered perovskite structure was formed after annealing. The synthesis temperature did not affect the phase composition, except for the Gd-containing sample where the perovskite structure was partially destroyed and a pyrochlore phase based on Bi2Ti2O7 was formed. Differential thermal analysis showed reversible anomalies, indicating phase transitions with changes in crystal lattice symmetry for the perovskite-like phase and order-disorder type transition for the pyrochlore structure.
Article
Chemistry, Physical
A. V. Shlyakhtina, N. V. Lyskov, I. V. Kolbanev, A. N. Shchegolikhin, O. K. Karyagina, L. G. Shcherbakova
Summary: The study focused on the structure and proton conductivity of rhombohedral La6-xMoO12-delta (x = 0.5, 0.6, 0.7, 1) lanthanum molybdates produced by mechanical activation and thermal annealing. It was found that an increase in molybdenum concentration in the La6-xMoO12-delta series led to a decrease in both rhombohedral distortion and proton conductivity. The optimal composition of La6-xMoO12-delta (x = 0.5) exhibited a proton conductivity of approximately 4.0 x 10(-5) S/cm at 500 degrees C in wet air.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Polymer Science
Hanna Huebner, Bart-Jan Niebuur, Oliver Janka, Lea Gemmer, Marcus Koch, Tobias Kraus, Guido Kickelbick, Bernd Stuhn, Markus Gallei
Summary: This study focuses on the synthesis of amorphous-crystalline block copolymers and the influence of their self-assembled structures on the crystallinity and crystallization behavior of PDMSB. It is found that the confinement conditions under different morphologies affect the crystallization of PDMSB.
MACROMOLECULAR CHEMISTRY AND PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Simon Keilholz, Roman Paul, Leonhard Yuuta Dorsch, Holger Kohlmann
Summary: The reduction of WO3 and V2O5 with hydrogen was studied using in situ X-ray powder diffraction. The intermediates V4O9, V6O13, and VO2 were identified in the reduction of V2O5, while H0.23WO3 and W10O29 were found as intermediates in the reduction of WO3. The intermediates of V2O5 cannot be prepared as single phases, unlike those of WO3 which can be isolated. Heating and flow rates had minimal influence on the formation of intermediates.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Mana Abdirahman Mohamed, Stefanie Arnold, Oliver Janka, Antje Quade, Volker Presser, Guido Kickelbick
Summary: Inorganic-organic hybrid materials with redox-active components were synthesized by precipitating ammonium heptamolybdate (AHM) with para-phenylenediamine (PPD) in an aqueous reaction. The scalable microjet process was employed to produce submicrometer particles with high purity and reproducibility on a large scale. By varying the molybdate-to-organic ligand ratio and pH, two different crystalline hybrid products were obtained. The electrochemical behavior of the hybrid materials was tested, and one of them exhibited exceptional capacity for lithium-ion battery applications.
Article
Chemistry, Multidisciplinary
Anna Michaely, Oliver Janka, Elias C. J. Giesselmann, Robert Haberkorn, Haakon T. A. Wiedemann, Christopher W. M. Kay, Guido Kickelbick
Summary: This study investigates the fast mechanochemical reduction of rutile-type TiO2 and H-Nb2O5 to their partially reduced black counterparts using NaH and LiH as reducing agents. The milling time and oxide to reducing agent ratio significantly influence the amount of reduced metal ions in the materials. LiH shows a higher reducing potential than NaH for both oxides. The intercalation of Li+ into the structure of the oxides was confirmed by PXRD, Rietveld refinements, and Li-6 solid-state NMR spectroscopy. The reduced oxides exhibit a decreased band gap, the presence of unpaired electrons, and enhanced photocatalytic performance compared to the pristine oxides.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Inorganic & Nuclear
Olga Yu. Vekilova, Doreen. C. C. Beyer, Shrikant Bhat, Robert Farla, Volodymyr Baran, Sergei. I. I. Simak, Holger Kohlmann, Ulrich Haussermann, Kristina Spektor
Summary: This study investigates the formation of K2SiH6 at high pressures using in situ synchrotron diffraction experiments. K2SiH6 adopts the trigonal (NH4)2SiF6 structure type at pressures of 6.5-13 GPa, remaining stable up to 725°C at 13 GPa. At room temperature, K2SiH6 transitions into an ambient pressure recoverable cubic form below 6.7 GPa. K2SiH6 is a semiconductor with a band gap of around 2 eV, and while metallic variants can be obtained by partial substitution of Si by Al or P, the calculated superconducting transition temperatures are below 1 K.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Stefan Engel, Elias C. J. Giesselmann, Lukas E. Schank, Gunter Heymann, Kristina Brix, Ralf Kautenburger, Horst Philipp Beck, Oliver Janka
Summary: The binary alkaline-earth aluminides AEAl(2) and AEAl(4) have been synthesized and studied with various techniques. Different crystal structures were observed for the compounds, and the structural relation between different polymorphs was established. High-pressure/high-temperature phase of SrAl2 was prepared, and its structural and spectroscopic parameters were determined. Al-27 solid-state magic angle spinning NMR experiments and quantum chemical calculations were conducted to validate the crystal structure and explore the composition's influence on electron transfer and NMR characteristics.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Elias C. J. Giesselmann, Mathis Radzieowski, Samir F. Matar, Oliver Janka
Summary: During the synthesis of Sc4AuAl, a solid solution Sc2Au0.5Al0.5 in the PbCl2-type structure formed instead. The existence range and structure types formed for different compositions of Sc2Au1-x Al x with x = 0, 0.25, 0.5, 0.75, and 1 were investigated. X-ray diffraction studies revealed that Sc2Al and nominal Sc2Au0.25Al0.75 crystallized in the hexagonal Ni2In-type structure, while Sc2Au0.5Al0.5, Sc2Au0.75Al0.25, and Sc2Au crystallized in the orthorhombic PbCl2-type structure.
INORGANIC CHEMISTRY
(2023)
Review
Chemistry, Inorganic & Nuclear
Stefan Engel, Elias C. J. Giesselmann, Rainer Poettgen, Oliver Janka
Summary: In most europium compounds, Eu atoms are in the divalent oxidation state and have a high effective magnetic moment due to the isoelectronic relationship between Eu2+ and Gd3+. However, trivalent intermetallic Eu compounds are extremely rare, with less than 20 examples known in the literature. This mini-review provides a summary of the known binary and ternary Eu compounds, highlighting their crystal-chemical characteristics, magnetic properties, Eu-151 Mossbauer spectroscopic behavior, and valence phase transitions.
REVIEWS IN INORGANIC CHEMISTRY
(2023)
Review
Chemistry, Inorganic & Nuclear
Elias C. J. Giesselmann, Rainer Poettgen, Oliver Janka
Summary: The structural chemistry of Laves phases, especially their superstructures induced by coloring and distortions, is discussed in this article. The more complex Komura phases are derived from the classical Laves phases MgCu2, MgZn2, and MgNi2. Different possibilities for their description are summarized. In the second part, the superstructures are discussed based on their respective prototypes, illustrating crystal chemical relationships using the Barnighausen formalism.
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
(2023)
Review
Chemistry, Inorganic & Nuclear
Rainer Poettgen, Oliver Janka
Summary: This review summarizes the synthetic aspects, structural and crystal chemical peculiarities, as well as the physical properties of compounds in the CeCr2Al20 type family. The wide range of elemental combinations in this family makes it an interesting subject for structure-property investigations.
REVIEWS IN INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Simon Keilholz, Henning Uhlenhut, Andrea Gabke, Marleny Garcia-Schollenbruch, Holger Kohlmann
Summary: In the production of molybdenum, the reduction of molybdenum trioxide with hydrogen is a two-step process. In situ studies were conducted to understand the thermal behavior of molybdenum trioxide and the first reduction step to molybdenum dioxide. The reduction of MoO3 by hydrogen was investigated with varying parameters like heating rate, hydrogen flow, and potassium content. The formation of the intermediate γ-Mo4O11 was found to be influenced by the potassium content.
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
(2023)
Article
Chemistry, Multidisciplinary
Kristina Spektor, Holger Kohlmann, Dmitrii Druzhbin, Wilson A. Crichton, Shrikant Bhat, Sergei I. Simak, Olga Yu Vekilova, Ulrich Haeussermann
Summary: This study investigates the ternary Na-Si-H system and discovers a new hydridosilicate compound, Na3SiH7, which exhibits both double salt nature and polymorphism.
FRONTIERS IN CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Elias C. J. Giesselmann, Stefan Engel, Weronika Kostusiak, Yuemei Zhang, Petra Herbeck-Engel, Guido Kickelbick, Oliver Janka
Summary: The cubic Laves-phase aluminides REAl2 with RE = Sc, Y, La, Yb and Lu were synthesized using different methods and characterized. They all have the MgCu2 type structure and crystallize in the cubic crystal system with space group Fd3m. Spectroscopic techniques such as Raman and NMR were employed to investigate their properties. The results reveal that these aluminides exhibit only one signal in both Raman and NMR spectra due to the crystal structure. DFT calculations were performed to analyze the charge transfer and bonding situation in these compounds.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Multidisciplinary
Sandeep K. Gupta, Hannah H. Nielsen, Andreas M. Thiel, Emil A. . Klahn, Erxi Feng, Huibo B. Cao, Thomas C. Hansen, Eddy Lelievre, Arsen Gukasov, Iurii Kibalin, Sebastian Dechert, Serhiy Demeshko, Jacob Overgaard, Franc Meyer, Franc Meyer
Summary: In this study, a highly anisotropic single-ion magnet (SIM) with stability under ambient conditions was synthesized and comprehensively characterized. The influence of the ligand field on the degeneracy and population of d-orbitals in a specific coordination environment was investigated, providing important insights for the rational design and enhancement of magnetic anisotropy in SIMs.
Article
Materials Science, Multidisciplinary
John M. Wilkinson, Stephen J. Blundell, Sebastian Biesenkamp, Markus Braden, Thomas C. Hansen, Kacper Koteras, Wojciech Grochala, Paolo Barone, Jose Lorenzana, Zoran Mazej, Gasper Tavcar
Summary: KAgF3 is a quasi-one-dimensional quantum antiferromagnet with interesting structural and magnetic transitions. At low temperatures, it orders as an A-type antiferromagnet with an ordered moment. Previous magnetometry study provides evidence for an intermediate phase at T-N1 < T < T-N2, but its nature remains unknown.
