Unearthing an ideal model to describe the role of defect sites for boosting photocatalytic CO reduction is rational and necessary, but it still remains a significant challenge. Herein, oxygen vacancies are introduced on the surface of Bi O Cl photocatalyst (Bi O Cl -OV) for fine-tuning the photocatalytic efficiency. The formation of oxygen vacancies leads to a new donor level near the conduction band minimum, which enables a faster charge transfer and higher carrier density. Moreover, oxygen vacancies can considerably reduce the energy for the formation of COOH* intermediates during CO conversion. As a result, the activity of Bi O Cl -OV for selective photoreduction of CO to CO is significantly improved, with a CO generation rate of 0.9 μmol h g , which is nearly 4 times higher than that of pristine Bi O Cl . This study reinforces our understanding of defect engineering in Bi-based photocatalysts and underscores the potential importance of implanting oxygen vacancies as an effective strategy for solar energy conversion.
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http://dx.doi.org/10.1002/cssc.201900621 | DOI Listing |
Nanomicro Lett
January 2025
College of Mechanical Engineering, Yangzhou University, Yangzhou, 225127, People's Republic of China.
The integration of dual-mesoporous structures, the construction of heterojunctions, and the incorporation of highly concentrated oxygen vacancies are pivotal for advancing metal oxide-based gas sensors. Nonetheless, achieving an optimal design that simultaneously combines mesoporous structures, precise heterojunction modulation, and controlled oxygen vacancies through a one-step process remains challenging. This study proposes an innovative method for fabricating zinc stannate semiconductors featuring dual-mesoporous structures and tunable oxygen vacancies via a direct solution precursor plasma spray technique.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Institute of Physical Chemistry, RWTH Aachen University, Landoltweg 2, 52074 Aachen, Germany.
We combine atomistic and continuum simulation methods to study the defect chemistry of a model grain boundary in UO. Using atomistic methods, we calculate the formation energies of oxygen interstitials, uranium vacancies, and hole polarons (U ions) across the Σ5(310)[001] symmetric tilt grain boundary. This information is then used as input in a continuum model of point-defect concentrations at the grain boundary and in its vicinity, taking into account electrostatic (space-charge) effects.
View Article and Find Full Text PDFNanomaterials (Basel)
January 2025
Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, UK.
We used density functional theory with a hybrid functional to investigate the structure and properties of [4H] (hydrogarnet) defects in -quartz as well as the reactions of these defects with electron holes and extra hydrogen atoms and ions. The results demonstrate the depassivation mechanisms of hydrogen-passivated silicon vacancies in -quartz, providing a detailed understanding of their stability, electronic properties, and behaviour in different charge states. While fully hydrogen passivated silicon vacancies are electrically inert, the partial removal of hydrogen atoms activates these defects as hole traps, altering the defect states and influencing the electronic properties of the material.
View Article and Find Full Text PDFNanomaterials (Basel)
January 2025
Center for Sustainable Future Technologies @POLITO, Istituto Italiano di Tecnologia, Via Livorno 60, 10144 Turin, Italy.
The electrochemical reduction of CO (CORR) to value-added products has garnered significant interest as a sustainable solution to mitigate CO emissions and harness renewable energy sources. Among CORR products, formic acid/formate (HCOOH/HCOO) is particularly attractive due to its industrial relevance, high energy density, and potential candidate as a liquid hydrogen carrier. This study investigates the influence of the initial oxidation state of tin on CORR performance using nanostructured SnO catalysts.
View Article and Find Full Text PDFNanomaterials (Basel)
January 2025
Department of Inorganic and Organic Chemistry, University Jaume I, Av. Vicent Sos Baynat s/n, 12071 Castellón de la Plana, Spain.
In this work, a series of BaMnCuO samples (x: 1, 0.9, 0.8, and 0.
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