Glasses of general formula 50Li(2)O : xSnO(2) : (10 -x)TiO(2) : 40P(2)O(5)(0.0 < or = x < or = 10) were investigated by differential scanning calorimetry, X-ray diffraction and ac impedance, (31)P solid-state NMR and IR spectroscopies. Three isotropic resonances can be identified in the (31)P NMR spectra, which have been assigned to various phosphate species. Analysis of the ratios of integrated intensities in the (31)P spectra leads to models for the Ti and Sn coordination environments. Both TiO(2) and SnO(2) are found to be predominantly network forming with Ti and Sn proposed to be in five- and four-coordinate environments respectively. Analysis of ac impedance spectra collected at low temperatures reveals two forms of permittivity dispersion, viz: high frequency conductivity dispersion and Cole-Cole type relaxation of permittivity. The activation energy of the relaxation frequency of the permittivity dispersion is equal to that of the dc conductivity, which is consistent with cooperative motion of lithium ions. The results also suggest that the observed increase in conductivity with temperature appears to be mainly due to an increase in mobility rather than increase in carrier concentration.
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http://dx.doi.org/10.1039/b401582g | DOI Listing |
Precis Chem
December 2024
State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China.
The interfacial proton transfer (PT) reaction on the metal oxide surface is an important step in many chemical processes including photoelectrocatalytic water splitting, dehydrogenation, and hydrogen storage. The investigation of the PT process, in terms of thermodynamics and kinetics, has received considerable attention, but the individual free energy barriers and solvent effects for different PT pathways on rutile oxide are still lacking. Here, by applying a combination of ab initio and deep potential molecular dynamics methods, we have studied interfacial PT mechanisms by selecting the rutile SnO(110)/HO interface as an example of an oxide with the characteristic of frequently interfacial PT processes.
View Article and Find Full Text PDFPhys Chem Chem Phys
December 2024
Univ. Artois, CNRS, Centrale Lille, Univ. Lille, UMR 8181, Unité de Catalyse et de Chimie du Solide (UCCS), F-62300 Lens, France.
The effects of biaxial tensile and compressive strain on the structural, electronic, and photocatalytic properties of tetragonal [001] (SnO)/(TiO) superlattices have been theoretically explored using density functional theory (DFT) calculations. Various stacking periodicities between SnO layers and TiO layers, including ( = ), (, 1), and (1, ) were studied in the context of water splitting for hydrogen production. The results reveal that the (1, ) stacking periodicity exhibit the highest bulk modulus, Poisson's ratio, and Debye temperature values.
View Article and Find Full Text PDFSci Rep
December 2024
Department of Chemistry, University of Gujrat, Gujrat, 50700, Pakistan.
This study investigates the photodegradation of Acid Violet 49 in an aqueous medium under UV, UV/HO and combined with photo catalyst (UV/HO/TiO, UV/HO/ZnO, and UV/HO/SnO). The impact of all operational parameters including catalytic dosage, peroxidation (HO), pH and dye concentration were evaluated. The degradation efficiency of AV49 was enhanced up to 96% with the alternative photocatalyst UV/HO/ZnO under the circumstances of 0.
View Article and Find Full Text PDFACS Appl Mater Interfaces
December 2024
Department of Earth Science & Engineering, Imperial College London, London SW7 2AZ, U.K.
This study proposes the heterojunction photocatalyst, Sn-doped TiO/Ti-doped SnO (herein named SnTiO), as a promising alternative to pure TiO. SnTiO demonstrates improved light harvesting efficiency over TiO by generating longer-lived electron-hole (e-h) pairs, while also displaying a smaller band gap compared to pure TiO. Consequently, we show that it is a promising candidate for the photocatalytic oxidation (PCO) of As to the less toxic and more readily removable form As.
View Article and Find Full Text PDFJ Mol Model
November 2024
Laboratory of Theoretical Chemistry, Faculty of Chemistry and Biology, University of Santiago de Chile (USACH), Santiago, Chile.
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