Quaternary sulfides MPb8In17S34 (M = Cu, Ag, Au) were synthesized at 1123 K from their elements in stoichiometric ratios. These compounds crystallize in monoclinic space group P2(1)/m. The crystal structures feature combinations of 2[InS2] (NaCl111-type) and [MPb2In3S6] (NaCl100-type) slabs. These compounds are semiconductors with band gaps near 1.3 eV.
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http://dx.doi.org/10.1021/ic051447h | DOI Listing |
Sci Rep
January 2025
Department of Materials Science and Engineering, Kyoto University, Sakyo, Kyoto, 606-8501, Japan.
The discovery of novel materials is crucial for developing new functional materials. This study introduces a predictive model designed to forecast complex multi-component oxide compositions, leveraging data derived from simpler pseudo-binary systems. By applying tensor decomposition and machine learning techniques, we transformed pseudo-binary oxide compositions from the Inorganic Crystal Structure Database (ICSD) into tensor representations, capturing key chemical trends such as oxidation states and periodic positions.
View Article and Find Full Text PDFChemistry
January 2025
Osaka University, Institute for Open and Transdisciplinary Research Initiatives (OTRI), 1-6 Yamada-oka, 565-0871, Suita, JAPAN.
Considering the demand for organosulfur materials and the challenges associated with currently used oxidation processes, in this study, we evaluated the counter-cation of sodium chlorite (Na+ClO2-) with tetrabutylammonium chloride (Bu4N+Cl-) to synthesise tetrabutylammonium chlorite (Bu4N+ClO2-). Bu4N+ClO2- exhibited good solubility in organic solvents like chloroform (1.6 g mL-1) and ethyl acetate (0.
View Article and Find Full Text PDFDalton Trans
December 2024
Department of Chemistry, Indian Institute of Technology Hyderabad, Kandi, Sangareddy, Telangana 502284, India.
Depending on their bandgaps, mixed metal layered chalcogenides are potential candidates for thermoelectric and photovoltaic applications. Herein, we reported the exploratory synthesis of Sr-Zr-Cu- ( = S/Se) systems, resulting in the identification of two novel quaternary chalcogenides: SrZrCuS and SrZrCuSe. These isoelectronic compounds (SrZrCu) crystallized in two different structural types.
View Article and Find Full Text PDFSmall
November 2024
Nanotechnology & Advanced Materials Engineering, Sejong University, 209 Neungdong-ro, Gwangjin-gu, Seoul, 143-747, South Korea.
Significant research has focused on doping third-party elements into representative Li-Argyrodites, which typically consist of a metal cation, a sulfide anion, and a halide. These efforts have generally been limited to doping or substituting a single element at each atomic site in the Argyrodite structure, resulting in, at most, binary combinations at each site. Multi-elemental doping or substitution poses a challenge due to the so-called combinatorial explosion issue.
View Article and Find Full Text PDFInorg Chem
December 2024
Department of Chemistry, University of Oxford, Inorganic Chemistry Laboratory, South Parks Road, Oxford OX1 3QR, United Kingdom.
BaFeSbS and BaFeBiS are two isostructural quaternary sulfides that crystallize in the space group with four formula units per unit cell. BaFeSbS has lattice parameters = 12.08609(3) Å, = 8.
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