Chemical Potential Analysis as an Alternative to the van’t Hoff Method: Hypothetical Limits of Solar Thermochemical Hydrogen

Journal of the American Chemical Society, Journal Year: 2024, Volume and Issue: 146(20), P. 14114 - 14127

Published: May 13, 2024

The van't Hoff method is a standard approach for determining reaction enthalpies and entropies, e.g., in the thermochemical reduction of oxides, which an important process solar fuels numerous other applications. However, by analyzing oxygen partial pressure

Language: Английский

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Sr0.85Ce0.15Fe0.67Co0.33-xCuxO3 perovskite oxides: effect of B-site copper codoping on the physicochemical, catalytic and antibacterial properties upon UV or thermal activation

Frontiers in Environmental Engineering, Journal Year: 2023, Volume and Issue: 2

Published: Sept. 4, 2023

Perovskite-type compounds have found application in environmental remediation and clean energy production, fundamental sectors for sustainable development. A challenge these materials is the fine-tuning of their chemical composition chemical-physical characteristics, example, microstructure, morphology ability to form oxygen vacancies, through introduction dopant elements. In this work, we studied effect Cu doping at B-site a Ce, Co-doped strontium ferrate perovskite with Sr 0.85 Ce 0.15 Fe 0.67 Co 0.33 O 3-δ . Indeed, 0.23 0.10 0.13 0.20 powders, where was codoped both cobalt copper, were synthesised by solution combustion synthesis characterised physical-chemical properties multi-analytical approach, assess behaviour when subjected different activation methods. The two perovskites tested 1) as catalysts oxidation soot after high temperatures, 2) antibacterial agents ambient conditions or activated UV exposure low-temperature excitation induce generation reactive species. Results demonstrated that react differently various stimuli increasing amount together presence segregated ceria phase, influenced materials’ features performances. knowledge gained on structure-properties relationships can inspire other research studies oxides multifunctional benefit environment, society economy.

Language: Английский

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Local Ordering, Distortion, and Redox Activity in (La_0.75Sr_0.25)(Mn_0.25Fe_0.25Co_0.25Al_0.25)O₃ Investigated by a Computational Workflow for Compositionally Complex Perovskite Oxides

Chemistry of Materials, Journal Year: 2024, Volume and Issue: 36(10), P. 4990 - 5001

Published: May 13, 2024

Mixing multiple cations can result in a significant configurational entropy, offer new compositional space with vast tunability, and introduce computational challenges. For applications such as the two-step solar thermochemical hydrogen (STCH) generation techniques, we demonstrate that using density functional theory (DFT) combined Metropolis Monte Carlo method (DFT-MC) efficiently sample possible cation configurations compositionally complex perovskite oxide (CCPO) materials, (La0.75Sr0.25)(Mn0.25Fe0.25Co0.25Al0.25)O3 an example. In presence of oxygen vacancies (VO), DFT-MC simulations reveal increase local site preference (short-range ordering), compared to more random mixing without VO. Co is found be redox-active element VO preferentially generated next due stretched Co-O bonds. A clear definition vacancy formation energy (Evf) proposed for CCPO ensemble structures evolved parallel from independent paths. By combining distribution Evf interactions into statistical model, nonstoichiometry (δ), under STCH thermal reduction oxidation conditions, predicted experiments. Similar experiments, δ used extract enthalpy entropy van't Hoff method, providing direct comparisons experimental results. This procedure provides full predictive workflow obtain ordering or fully structures, understand redox activity each element, predict thermodynamic properties CCPOs, screening design these materials at conditions.

Language: Английский

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Entropy Engineering Strategies for Optimizing Solid Oxide Cell Air Electrode Performance: A Review

Journal of Alloys and Compounds, Journal Year: 2024, Volume and Issue: 1010, P. 177585 - 177585

Published: Nov. 14, 2024

Language: Английский

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Cobalt oxyhydroxide co-catalyst loaded onto Al:SrTiO3 surface to boost photocatalytic performance

Materials Chemistry and Physics, Journal Year: 2024, Volume and Issue: 332, P. 130274 - 130274

Published: Dec. 12, 2024

Language: Английский

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