In the present study, additive-free, pH-driven, hydrothermal crystallization was used to obtain shape-tailored monoclinic BiVO photocatalysts. The as-prepared BiVO products were systematically characterized, uncovering their crystallographic, morphologic and optical properties, while their applicability was verified in the visible light-driven photodegradation of oxalic acid and rhodamine B. Monoclinic clinobisvanite was obtained in most cases, with their band gap values located between 2.1 and 2.4 eV. The morphology varied from large, aggregated crystals, individual microcrystals to hierarchical microstructures. It was found that the degradation efficiency values obtained in the case of oxalic acid were directly related to the presence of (040) crystallographic plane, while the degradation of rhodamine B was partially independent by the presence of this structural feature. The importance of (040) crystallographic plane was also demonstrated via the reduction of Cu to Cu, by analyzing the Raman spectra of the Cu containing samples, the mean primary crystallite size of Cu and Cu content. Furthermore, the presence of (040) crystallographic plane was directly proportional with the hydrodynamic properties of the powders as well.
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http://dx.doi.org/10.3390/molecules25204842 | DOI Listing |
J Phys Chem B
December 2024
EaStCHEM School of Chemistry, University of Edinburgh, Edinburgh EH9 3FJ, United Kingdom.
While relative binding free energy (RBFE) calculations using alchemical methods are routinely carried out for many pharmaceutically relevant protein targets, challenges remain. For example, open-source tools do not support the easy setup and simulation of metalloproteins, particularly when ligands directly coordinate to the metal site. Here, we evaluate the performance of RBFE methods for KPC-2, a serine-β-lactamase (SBL), and two nonbonded metal parameter setups for VIM-2, a metallo-β-lactamase (MBL) with two active site zinc ions.
View Article and Find Full Text PDFJ Struct Biol
December 2024
Joint Institute for Nuclear Research, Dubna, Moscow Region 141980, Russia. Electronic address:
The global crystallographic texture of calcite and aragonite in the shells of the bivalves Bathymodiolus thermophilus, Mytilus galloprovincialis, M. edulis and M. trossulus was studied by means of neutron diffraction.
View Article and Find Full Text PDFSmall
September 2024
Sichuan Research Center of New Materials, Institute of Chemical Materials, China Academy of Engineering Physics, Chengdu, 610200, China.
Bismuth vanadate (BiVO) exhibits large absorption efficiency for hard X-rays, which endows it with a robust capacity to attenuate X-ray radiation across a broad energy range. The anisotropic properties of BiVO allow for the manipulation of their physical and chemical characteristics through crystallographic orientation and exposed facets. In this study, the issue of heavy recombination caused by sluggish electron transport in BiVO is successfully addressed by enhancing the abundance of the (040) crystal face ratio using a Co crystal face exposure agent.
View Article and Find Full Text PDFJ Phys Condens Matter
July 2023
Materials Science & Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, United States of America.
YbBOis a member of the orthoborate family of materials which contains a triangular arrangement of Ybions. Here we study the physical properties of YbBOwith neutron diffraction, inelastic neutron scattering, specific heat, and ac susceptibility measurements. The neutron diffraction measurements confirm that our samples of YbBOcrystallize in the monoclinic space groupC2/c(#15) which contains two crystallographically distinct Ybsites decorating a slightly distorted triangular lattice.
View Article and Find Full Text PDFSmall
May 2023
Department of Materials Science and Engineering, City University of Hong Kong, Kowloon, 999077, Hong Kong.
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