Article
Chemistry, Inorganic & Nuclear
Qing Li, Haonan Liu, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongping Wu
Summary: This research reports the fourth polymorph of KMoO3(IO3), i.e., delta-KMoO3(IO3), to investigate the influence of different packing patterns of basic building units on the structures and properties. The study shows that the polarization of delta-KMoO3(IO3) mainly comes from IO3 units. Further measurements reveal that delta-KMoO3(IO3) exhibits a large second-harmonic generation response, a wide band gap, and a broad mid-infrared transparency region, indicating the effective approach of adjusting the arrangement of ?-shaped basic building units in rational design of NLO crystals.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Luke T. Menezes, Eliana Gage, Abdeljalil Assoud, Mingli Liang, P. Shiv Halasyamani, Holger Kleinke
Summary: The new noncentrosymmetric (NCS) quaternary oxyselenide Sr6Ge3OSe11 was discovered through the strategy of partial isovalent anion substitution. Sr6Ge3OSe11 crystallizes in the NCS trigonal space group P3m1 with lattice parameters of a = 10.268(5) angstrom, c = 6.363(3) angstrom, Z = 1. Spectroscopic studies revealed that Sr6Ge3OSe11 has a wide transparent range in the IR region and an optical band gap of 2.39 eV. The nonlinear optical (NLO) properties of this compound, including the second order nonlinear susceptibilities and phase-matchability, were calculated and measured experimentally.
CHEMISTRY OF MATERIALS
(2023)
Article
Biochemistry & Molecular Biology
Rory Elliott, Aoife A. Ryan, Aviral Aggarwal, Nianyong Zhu, Friedrich W. Steuber, Mathias O. Senge, Wolfgang Schmitt
Summary: Metal-organic frameworks (MOFs) are a rapidly expanding class of materials with diverse potential applications, with 'rod MOFs' representing an underexplored subclass. In this study, two new 2D porphyrinic rod MOFs, PROD-1 and PROD-2, were prepared using a Cu-II complex, showcasing promising structural attributes for future photocatalytic investigations.
Article
Chemistry, Multidisciplinary
Naoki Tarutani, Riona Sato, Wataru Yamazaki, Kiyofumi Katagiri, Kei Inumaru, Takamasa Ishigaki
Summary: The study introduces a new method for synthesizing organic-inorganic hybrid nanoparticles through intercalated acrylate polymerization, resulting in thermally robust mesoporous structures that can be formed at 200 degrees Celsius. Electrochemical characterization indicates improved diffusion of molecules/solvent in these materials.
Article
Chemistry, Inorganic & Nuclear
Meng-Yao Chao, Qing Li, Wen-Hua Zhang, David J. Young
Summary: Secondary building units in metal-organic frameworks, such as the linear trinuclear SBUs denoted as M-3, are essential both structurally and in terms of performance. While M-3 clusters are common, they are rarely discussed as a class and exhibit unprecedented metal diversity and ligand tolerance. Some M-3-based MOFs are stable under demanding conditions and can be used in applications like flue gas separation.
DALTON TRANSACTIONS
(2021)
Article
Chemistry, Physical
Jin Chen, Chun-Li Hu, Yi-Lin Li, Qian-Qian Chen, Bing-Xuan Li, Jiang-Gao Mao
Summary: This study reports two alkali metal molybdenum(VI) iodates with different structural features and optical properties, especially the polar γ-KMoO3(IO3) showing a very large second-harmonic generation effect and high laser-induced damage threshold under 1064 nm laser radiation.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Crystallography
Ivana Cisarova, Petra Becker, Irena Matulkova, Ivan Nemec, Petr Nemec, Ladislav Bohaty
Summary: This article investigates the growth and structure of large single crystals of polar tetragonal thallium antimony(III) tartrate dihydrate. It also presents a new monoclinic antimony(III) tartrate crystal structure.
CRYSTAL RESEARCH AND TECHNOLOGY
(2023)
Article
Chemistry, Inorganic & Nuclear
Jonas Gosch, Diletta Morelli Venturi, Erik Svensson Grape, Cesare Atzori, Lorenzo Dona, Felix Steinke, Tobias Otto, Tim Tjardts, Bartolomeo Civalleri, Kirill A. Lomachenko, A. Ken Inge, Ferdinando Costantino, Norbert Stock
Summary: The use of V-shaped linker molecules, H2ODB and H2CDB, resulted in the discovery of two isoreticular Ce(IV)-based metal-organic frameworks (MOFs) denoted CAU-58. The synthesis approach in acetonitrile proved effective in accessing Ce(IV)-MOF structures with infinite rod-shaped inorganic building units. The MOFs exhibited high thermal stabilities and reversible water adsorption, and CAU-58-ODB showed enhanced photocatalytic activity under UV light.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Jonas Gosch, Diletta Morelli Venturi, Erik Svensson Grape, Cesare Atzori, Lorenzo Dona, Felix Steinke, Tobias Otto, Tim Tjardts, Bartolomeo Civalleri, Kirill A. Lomachenko, A. Ken Inge, Ferdinando Costantino, Norbert Stock
Summary: The use of V-shaped linker molecules led to the discovery of two Ce(IV)-based MOFs synthesized using a novel acetonitrile solvent approach. The structures of the MOFs were determined using 3D ED, PXRD, and DFT calculations. The MOFs exhibited high thermal stability, and their catalytic activity for the degradation of methyl orange was studied, with CAU-58-ODB showing enhanced photocatalytic activity under UV light.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Subhadip Mallick, Weiguo Zhang, Maria Batuk, Alexandra S. Gibbs, Joke Hadermann, P. Shiv Halasyamani, Michael A. Hayward
Summary: KBiNb2O7 is prepared by cation exchange reactions and has a polar, layered, perovskite structure with a high level of defects.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Multidisciplinary
Mengmeng Ding, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu
Summary: Metal iodates are attracting research interest for their potential application as nonlinear optical crystals; exploration is mainly focused on complex cation iodates; while iodates with multiple anion groups are rarely reported, this study successfully synthesized a noncentrosymmetric alkaline-metal iodate-sulfate, Na-7(IO3)(SO4)(3).
CHEMICAL COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Jacek Abramczyk
Summary: This article presents a novel approach to shaping complex roof structures by constructing polyhedral networks through algorithms, discussing the design of shell units' shape and location to effectively control static-strength properties, allowing for surpassing the limitations of traditional roof structures.
Article
Chemistry, Multidisciplinary
Tatsuya Sudo, Shohei Yamashita, Natsumi Koike, Hidehiro Kamiya, Yohei Okada
Summary: Nanoparticles are prone to aggregation, making it important to enhance their dispersibility for applications. Organic ligands with oleyl groups have been found to be good dispersants in less polar solvents due to their inefficient shell packing and inhibition of crystallization between particles. However, ligands with oleyl structures may contain impurities that could affect the properties of the nanoparticles. This study investigates the relationship between ligand structure and dispersibility using phosphonic acid ligands, revealing that the regio- and stereochemistries of the ligand's C=C double bond, as well as the choice of solvent, play a key role in enhancing dispersibility.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Matthias Lehmann, Maximilian Baumann, Martin Lambov, Alexey Eremin
Summary: The self-assembly of umbrella-shaped mesogens with subphthalocyanine cores and oligo(thienyl) arms of different lengths was explored for their application as light-harvesting and photoconducting materials. The molecules form liquid crystalline columns in polar columnar phases, showing broad absorption in the visible range but weak emission of the Q-band. This makes them attractive for use in the field of photoconductive materials.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Multidisciplinary Sciences
C. Tortello, A. Folgueira, J. M. Lopez, F. Didier Garnham, E. Sala Lozano, M. S. Rivero, G. Simonelli, D. E. Vigo, S. A. Plano
Summary: This study aimed to investigate the influence of external zeitgebers on chronotype and sleep during a winter campaign at the Argentine Antarctic station. The main findings showed a decrease in sleep duration and a delay in chronotype and social jetlag during the polar night, indicating the impact of social cues and lack of natural light on circadian rhythms.
SCIENTIFIC REPORTS
(2023)
Article
Biochemistry & Molecular Biology
Prashanth Sandineni, Hooman Yaghoobnejad Asl, Weiguo Zhang, P. Shiv Halasyamani, Kartik Ghosh, Amitava Choudhury
Summary: In this study, the syntheses of two lithium-vanadium oxide-fluoride compounds were reported, crystallized from the same reaction mixture through a time variation experiment. A low temperature hydrothermal route allowed the formation of a metastable phase, which transformed to a structurally different phase upon extended heating. Non-centrosymmetric crystals are highly desirable in solid-state chemistry for their second-harmonic-generation response.
Article
Chemistry, Physical
Ceng Han, Alasdair J. Bradford, Jason A. McNulty, Weiguo Zhang, P. Shiv Halasyamani, Alexandra M. Z. Slawin, Finlay D. Morrison, Stephen L. Lee, Philip Lightfoot
Summary: This study reports the influence of positional isomerism on the crystal structures of copper halide perovskites. Two polar ferromagnetic compounds with significant crystal structure differences and enhanced physical properties are successfully synthesized. This finding inspires the design of high-performance multifunctional copper-based materials.
CHEMISTRY OF MATERIALS
(2022)
Article
Chemistry, Inorganic & Nuclear
Subhadip Mallick, Weiguo Zhang, Maria Batuk, Alexandra S. Gibbs, Joke Hadermann, P. Shiv Halasyamani, Michael A. Hayward
Summary: KBiNb2O7 is prepared by cation exchange reactions and has a polar, layered, perovskite structure with a high level of defects.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Physical
Chloe A. Fuller, James Iain Murrell, Douglas A. Blom, Thomas Vogt, Weiguo Zhang, P. Shiv Halasyamani, Ivana Radosavljevic Evans, John S. O. Evans
Summary: The Ba3-xSrxYGa2O7.5 family of perovskite-related compounds exhibits complex structural evolution and conductivity variations influenced by microstructural effects. Ba-rich samples show mixed proton and oxide ion conductivity in moist atmospheres, while Sr-rich samples act primarily as oxide ion conductors under dry conditions.
CHEMISTRY OF MATERIALS
(2022)
Article
Chemistry, Inorganic & Nuclear
Ari T. Barton, Mingli Liang, Andrew J. Craig, Weiguo Zhang, Stanislav S. Stoyko, Anne N. Radzanowski, Delenn Fingerlow, P. Shiv Halasyamani, Joseph H. MacNeil, Jennifer A. Aitken
Summary: The new compounds Li2Mg2Si2S6 and Li2Mg2Ge2S6 with a new structure type featuring staggered, ethane-like units have been successfully prepared. These compounds show large optical bandgaps and exhibit second harmonic generation responses. The electronic band structures indicate that these compounds are indirect bandgap semiconductors.
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
(2022)
Article
Chemistry, Inorganic & Nuclear
Sergei A. Novikov, Yimin Lu, Weiguo Zhang, P. Shiv Halasyamani, Shruti Hariyani, Jakoah Brgoch, Vladislav V. Klepov, zur Loye Hans-Conrad, Yurij Mozharivskyj
Summary: Single crystals of three new compounds were synthesized and characterized for their structures and properties. These compounds show potential applications in light conversion and red-emitting phosphors.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Euan A. S. Scott, Eleni Mitoudi Vagourdi, Mats Johnsson, Vanessa Cascos, Filbin John, Dave Pickup, Alan V. Chadwick, Hania Djani, Eric Bousquet, Weiguo Zhang, P. Shiv Halasyamani, Emma E. McCabe
Summary: By replacing oxide ions with fluoride, divalent magnetic cations can be introduced to Aurivillius oxides, showing potential for multiferroic properties. Challenges associated with reduced polar displacements in fluoride-based systems were revealed in our research.
CHEMISTRY OF MATERIALS
(2022)
Article
Chemistry, Inorganic & Nuclear
Mohammad Usman, Matthew S. Christian, Gregory Morrison, Mark D. Smith, Weiguo Zhang, Theodore M. Besmann, P. Shiv Halasyamani, Hans-Conrad zur Loye
Summary: Single crystals of two new rubidium ferrites, RbFeSiO4 and RbFeGeO4, were successfully grown via a melt method. RbFeSiO4 showed higher second harmonic generation intensity than α-SiO2. Ion exchange experiments also revealed the possibility of replacing rubidium metal ion with potassium and cesium in the crystals.
SOLID STATE SCIENCES
(2022)
Article
Chemistry, Inorganic & Nuclear
Ming-Li Liang, Matthew Lacroix, Ce Tao, Michael J. Waters, James M. Rondinelli, P. Shiv Halasyamani
Summary: The synthesis and optical properties of noncentrosymmetric (NCS) gamma-Cs2I4O11 were reported, which was obtained through IO4 polyhedral rearrangements from centrosymmetric (CS) beta-Cs2I4O11. Trifluoroacetic acid (TFA) played a key role in the synthesis as a structure-directing agent. The material exhibited strong second-harmonic-generation (SHG) response and was type I phase matchable.
INORGANIC CHEMISTRY
(2023)
Article
Materials Science, Multidisciplinary
Zhaowei Hu, Lili Liu, Ruixin Zhang, Qun Jing, Huan Wang, Jindan Tian, Jiayue Xu, P. Shiv Halasyamani
Summary: The construction of new functional crystals by integrating multiple structural motifs has been achieved. Two compounds with good crystal growth habits and promising UV birefringent properties were synthesized.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Nanoscience & Nanotechnology
Megan A. Cassingham, Yang G. Goh, Eric T. McClure, Taylor L. Hodgkins, Weiguo Zhang, Mingli Liang, Jahan M. Dawlaty, Peter I. Djurovich, Ralf Haiges, P. Shiv Halasyamani, Christopher N. Savory, Mark E. Thompson, Brent C. Melot
Summary: We report the growth and photophysical characterization of two polar hybrid lead halide phases, methylenedianiline lead iodide and bromide, (MDA)Pb2I6 and (MDA)Pb2Br6, respectively. The noncentrosymmetric crystal structure of these phases leads to highly oriented molecular dipole moments, resulting in second harmonic generation (SHG) upon excitation at 1064 nm. The size dependence of the SHG signal indicates that the bromide exhibits a stronger phase-matching response while the iodide exhibits a significantly weaker non-phase-matching signal. Fluorescence from (MDA)Pb2Br6 is observed around 630 nm below 75 K, whereas (MDA)Pb2I6 exhibits very weak luminescence. The contrasting optical properties are attributed to differences in the character of the halide sublattice, with the increased polarizability of the iodide ions reducing the local electric field in the crystals.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Fenghua Ding, Kent J. Griffith, Weiguo Zhang, Shaoxin Cui, Chi Zhang, Yiran Wang, Kendall Kamp, Hongwei Yu, P. Shiv Halasyamani, Zhihua Yang, Shilie Pan, Kenneth R. Poeppelmeier
Summary: An NCS and chiral mixed-alkali-metal borate with a linear BO2- unit was synthesized and characterized. The structure includes three types of basic building units, [BO2], [BO3], and [BO4], with sp-, sp2-, and sp3-hybridization of boron atoms, respectively. This study expands the small family of NCS structures with the rare linear BO2- unit and highlights the existence of two enantiomers in achiral Sohncke space groups, which has been generally overlooked in NLO materials.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Editorial Material
Optics
P. Shiv Halasyamani
Summary: A nonlinear optical crystal enables the generation of harmonic radiation in the deep ultraviolet region, extending below 200 nm.
Article
Materials Science, Multidisciplinary
Haonan Liu, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, P. Shiv Halasyamani, Hongwei Yu
Summary: KBBF is currently the only material capable of producing deep-ultraviolet coherent light, but its rigid growth characteristics and high toxicity make safe growth a major challenge. This study reports a new chemically benign deep-ultraviolet nonlinear optical crystal RBPO, which inherits the structural genes of KBBF and demonstrates comparable optical properties. RBPO can overcome the processing limitations of KBBF and has the potential to become the next generation of deep-ultraviolet nonlinear optical crystals.
ACS MATERIALS LETTERS
(2023)
Article
Chemistry, Physical
Chloe A. Fuller, Matthias J. Gutmann, Chris D. Ling, Chun-Hai Wang, Weiguo Zhang, P. Shiv Halasyamani, Ivana Radosavljevic Evans, John S. O. Evans
Summary: The structure and composition of La-silicate apatite oxide ion conductor, La10Si6O27, have been thoroughly investigated. It was found that there is extensive positional disorder and La vacancies in the crystal, but no evidence of excess oxide ions. Through experimental measurements and structure models, the actual composition of the crystal was determined and found to be in agreement with the structural features.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)