Academic Journal
Computational assessment of the potential of cross-catalytic coprecipitating systems for the bottom-up design of nanocomposites
| العنوان: | Computational assessment of the potential of cross-catalytic coprecipitating systems for the bottom-up design of nanocomposites |
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| المؤلفون: | Rouillard, Joti, Maier, Britta, Cölfen, Helmut, García-Ruiz, Juan Manuel |
| بيانات النشر: | Royal Society of Chemistry (UK) |
| سنة النشر: | 2023 |
| المجموعة: | Digital.CSIC (Consejo Superior de Investigaciones Científicas / Spanish National Research Council) |
| مصطلحات موضوعية: | Coprecipitation, Silica, Textures, Biomorphs, Bottom-up design, Catalyse, Catalytic effects, Chemical systems, Computational approach, Materials design, Precipitation reaction, Self-organization process, Simple++, Nanocomposites |
| الوصف: | The production of nanocomposites is often economically and environmentally costly. Silica-witherite biomorphs, known for producing a wealth of life-like shapes, are nanocomposites entirely formed through self-organization processes. Behind these precipitates are two precipitation reactions that catalyze each other. Using a simple computational approach, we show here that this type of chemical system - defined here as Cross-Catalytic Coprecipitating Systems (CCCSs) - is of great interest to material design. Provided that cross-catalytic effects are sufficient to overcome the precipitation thresholds for each phase, all CCCSs can be expected to self-organize into nanocomposite materials through a one-pot, one-step synthesis protocol. Symmetry-breaking events generating various complex, ordered textures are predicted in CCCSs involving crystalline phases. While high levels of stochasticity lead to a loss of ordering, coprecipitation is found to be robust to diffusion or advection in the solution. This model shows that a couple of chemical reactions can generate a range of complex textures - with possibly distinct physical/chemical properties. Cross-catalytic coprecipitating systems consequently represent a promising avenue for producing nanocomposites with complex textures at reduced economic and environmental costs. |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | unknown |
| تدمد: | 2516-0230 |
| Relation: | Publisher's version; http://dx.doi.org/10.1039/d3na00271c; Sí; Nanoscale Advances 5: 6148-6154 (2023); http://hdl.handle.net/10261/342774 |
| DOI: | 10.1039/d3na00271c |
| الاتاحة: | http://hdl.handle.net/10261/342774 https://doi.org/10.1039/d3na00271c |
| Rights: | open |
| رقم الانضمام: | edsbas.4706E460 |
| قاعدة البيانات: | BASE |
Full Text Finder | تدمد: | 25160230 |
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| DOI: | 10.1039/d3na00271c |