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Crystal growth, structural phase transitions and optical gap evolution of FAPb(BrCl) hybrid perovskites (FA: formamidinium ion, CH(NH)).
Discov Nano
January 2025
Instituto de Ciencia de Materiales de Madrid, CSIC, Cantoblanco, 28049, Madrid, Spain.
Chemically tuned organic-inorganic hybrid halide perovskites based on bromide and chloride anions CH(NH)Pb(BrCl) (CH(NH): formamidinium ion, FA) have been crystallized and investigated by neutron powder diffraction (NPD), single crystal X-ray diffraction (SCXRD), scanning electron microscopy (SEM) and UV-vis spectroscopy. FAPbBr and FAPbCl experience successive phase transitions upon cooling, lowering the symmetry from cubic to orthorhombic phases; however, these transitions are not observed for the mixed halide phases, probably due to compositional disorder. The band-gap engineering brought about by the chemical doping of FAPb (BrCl) perovskites (x = 0.
View Article and Find Full Text PDFBoosting Adsorption and Selectivity of Acetylene by Nitro Functionalisation in Copper(II)-Based Metal-Organic Frameworks.
Angew Chem Int Ed Engl
December 2024
College of Chemistry and Molecular Engineering, Beijing National Laboratory for Molecular Sciences, Peking University, Beijing, 100871, China.
Purification and storage of acetylene (CH) are important to many industrial processes. The exploitation of metal-organic framework (MOF) materials to address the balance between selectivity for CH vs carbon dioxide (CO) against maximising uptake of CH has attracted much interest. Herein, we report that the synergy between unsaturated Cu(II) sites and functional groups, fluoro (-F), methyl (-CH), nitro (-NO) in a series of isostructural MOF materials MFM-190(R) that show exceptional adsorption and selectivity of CH.
View Article and Find Full Text PDFToxic, radioactive, and disordered: a total scattering study of TlTcO.
Phys Chem Chem Phys
December 2024
School of Chemistry, The University of Sydney, Sydney, New South Wales 2006, Australia.
Article Synopsis
- A detailed study on TlTcO, a potential nuclear waste matrix, shows a phase transition from orthorhombic to tetragonal below 600 K, consistent with earlier research using X-ray diffraction.
- Observations from neutron powder diffraction revealed anomalies like large atomic displacements at low temperatures and a decrease in Tc-O bond distance with heating, suggesting changes in local structure symmetry.
- Density functional theory supports a monoclinic model for better energy efficiency, indicating that Tl's lone pairs are 'frozen' at low temperatures but become active and cause structural shifts upon heating, affecting the material's overall properties.
High-Pressure Behaviors of Hydrogen Bonds in Fluorine-Doped Brucite.
Inorg Chem
November 2024
National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki305-0044, Japan.
Brucite, Mg(OH) (3̅1, = 1), is a prototype material for studying hydrogen bonds in solid hydroxides. In this study, substitutional effects of fluorine (F) on the hydrogen-bonding geometries of hydrogenated and deuterated brucite were investigated under ambient conditions and at high pressure using combined experimental methods of neutron powder diffraction, Raman spectroscopy, and infrared (IR) spectroscopy. Under ambient conditions, neutron powder diffraction results showed that F substitution decreased the donor-acceptor distance and increased the hydroxyl covalent bond lengths of both hydrogenated and deuterated brucite, strengthening the hydrogen bond.
View Article and Find Full Text PDFAmmonia Storage in Metal-Organic Framework Materials: Recent Developments in Design and Characterization.
Acc Mater Res
October 2024
Department of Chemistry, University of Manchester, Manchester, M13 9PL, U.K.
Since the advent of the Haber-Bosch process in 1910, the global demand for ammonia (NH) has surged, driven by its applications in agriculture, pharmaceuticals, and energy. Current methods of NH storage, including high-pressure storage and transportation, present significant challenges due to their corrosive and toxic nature. Consequently, research has turned towards metal-organic framework (MOF) materials as potential candidates for NH storage due to their potential high adsorption capacities and structural tunability.
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