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- Hamed, Tareq Abu, et al.
(author)
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Multiscale in modelling and validation for solar photovoltaics
- 2018
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In: EPJ Photovoltaics. - : EDP Sciences. - 2105-0716. ; 9
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Journal article (peer-reviewed)abstract
- Photovoltaics is amongst the most important technologies for renewable energy sources, and plays a key role in the development of a society with a smaller environmental footprint. Key parameters for solar cells are their energy conversion efficiency, their operating lifetime, and the cost of the energy obtained from a photovoltaic system compared to other sources. The optimization of these aspects involves the exploitation of new materials and development of novel solar cell concepts and designs. Both theoretical modeling and characterization of such devices require a comprehensive view including all scales from the atomic to the macroscopic and industrial scale. The different length scales of the electronic and optical degrees of freedoms specifically lead to an intrinsic need for multiscale simulation, which is accentuated in many advanced photovoltaics concepts including nanostructured regions. Therefore, multiscale modeling has found particular interest in the photovoltaics community, as a tool to advance the field beyond its current limits. In this article, we review the field of multiscale techniques applied to photovoltaics, and we discuss opportunities and remaining challenges.
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| 2. |
- Gericke, Sabrina Maria, et al.
(author)
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In Situ H2 Reduction of Al2O3-Supported Ni- and Mo-Based Catalysts
- 2022
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In: Catalysts. - : MDPI. - 2073-4344. ; 12:7
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Journal article (peer-reviewed)abstract
- Nickel (Ni)-promoted Molybdenum (Mo)-based catalysts are used for hydrotreatment processes in the chemical industry where the catalysts are exposed to high-pressure H2 at elevated temperature. In this environment, the catalyst transforms into the active phase, which involves the reduction of the oxide. Here, we report on the first in situ study on the reduction of alumina supported Ni- and Mo-based catalysts in 1 mbar H2 using ambient-pressure X-ray photoelectron spectroscopy (APXPS). The study confirms that mixing Ni and Mo lowers the reduction temperature of both Ni- and Mo-oxide as compared to the monometallic catalysts and shows that the MoO3 reduction starts at a lower temperature than the reduction of NiO in NiMo/Al2O3 catalysts. Additionally, the reduction of Ni and Mo foil was directly compared to the reduction of the Al2O3-supported catalysts and it was observed that the reduction of the supported catalysts is more gradual than the reduction of the foils, indicating a strong interaction between the Ni/Mo and the alumina support. © 2022 by the authors.
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| 6. |
- Ternero, Pau, et al.
(author)
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Effect of the carrier gas on the structure and composition of Co–Ni bimetallic nanoparticles generated by spark ablation
- 2023
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In: Journal of Aerosol Science. - : Elsevier BV. - 0021-8502. ; 170
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Journal article (peer-reviewed)abstract
- Spark ablation is a versatile technique for producing pure size-selected nanoparticles. The carrier gas used in spark ablation affects the nanoparticles’ generation, crystalline structure, and chemical composition. The comprehension of this phenomenon can contribute to the design of nanoparticles with tailored properties. In this paper, we evaluate the effects of reducing (95%N2 + 5%H2), inert (N2), and oxidative (air) carrier gases in a spark ablation setup with Co–Ni alloyed electrodes. The agglomerates’ particle size distribution, morphology, structure, and composition were highly dependent on the carrier gas, especially its relative oxygen content. The agglomerates were then sintered into compacted particles. Three different crystalline structures and chemical compositions were observed with X-ray diffraction and confirmed with transmission electron microscopy for the compacted particles. For 95%N2 + 5%H2 and air, single-phase (Co,Ni) and (Co,Ni)O particles were identified, respectively, whereas for N2, two-phase (Co,Ni) and (Co,Ni)O particles were obtained. This work opens up new possibilities of tuning the structure and composition, i.e., distribution of metallic and oxide phases, of the produced particles and thus tailor their properties for specific applications by simply changing the carrier gas.
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| 7. |
- Franzén, Sara, et al.
(author)
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Compositional tuning of gas-phase synthesized Pd–Cu nanoparticles
- 2023
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In: Nanoscale Advances. - 2516-0230. ; 5:22, s. 6069-6077
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Journal article (peer-reviewed)abstract
- Bimetallic nanoparticles have gained significant attention in catalysis as potential alternatives to expensive catalysts based on noble metals. In this study, we investigate the compositional tuning of Pd–Cu bimetallic nanoparticles using a physical synthesis method called spark ablation. By utilizing pure and alloyed electrodes in different configurations, we demonstrate the ability to tailor the chemical composition of nanoparticles within the range of approximately 80 : 20 at% to 40 : 60 at% (Pd : Cu), measured using X-ray fluorescence (XRF) and transmission electron microscopy energy dispersive X-ray spectroscopy (TEM-EDXS). Time-resolved XRF measurements revealed a shift in composition throughout the ablation process, potentially influenced by material transfer between electrodes. Powder X-ray diffraction confirmed the predominantly fcc phase of the nanoparticles while high-resolution TEM and scanning TEM-EDXS confirmed the mixing of Pd and Cu within individual nanoparticles. X-ray photoelectron and absorption spectroscopy were used to analyze the outermost atomic layers of the nanoparticles, which is highly important for catalytic applications. Such comprehensive analyses offer insights into the formation and structure of bimetallic nanoparticles and pave the way for the development of efficient and affordable catalysts for various applications.
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| 9. |
- Hedmer, Maria, et al.
(author)
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Real-Time Emission and Exposure Measurements of Multi-walled Carbon Nanotubes during Production, Power Sawing, and Testing of Epoxy-Based Nanocomposites
- 2022
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In: Annals of Work Exposures and Health. - : Oxford University Press (OUP). - 2398-7308 .- 2398-7316. ; 66:7, s. 878-894
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Journal article (peer-reviewed)abstract
- The use of manufactured nanomaterials is increasing globally. Although multi-walled carbon nanotubes (CNTs) are used in a wide range of applications, only limited data are available on emissions and exposures during CNT composite production. No exposure data using portable aethalometers in the personal breathing zone (PBZ) to monitor occupational exposure to CNTs have yet been published. The aim of this study was to characterize emissions of and exposures to CNTs during CNT composite production, sawing, and shear testing. We also investigated whether real-time aethalometer measurements of equivalent black carbon (eBC) could be used as a proxy filter sampling of elemental carbon (EC). The presence of CNTs as surface contamination in the production facility was monitored since this could contribute to airborne exposure.Methods: During CNT composite production in an industrial setting including both chemical and manufacturing laboratories, different work tasks (WTs) were studied with a combination of directreading instruments (aethalometer, aerodynamic particle sizer, condensation particle counter) and filter-based methods. Measurements were performed to monitor concentrations in the emission zone (EZ), PBZ, and background zone. The filter samples were analysed for EC and fibre concentration of CNTs using scanning electron microscopy (SEM). Additionally, surfaces in the facility were tape sampled for monitoring of CNT contamination, and analysed with SEM.Results: Clear eBC peaks were observed in the PBZ during several WTs, most clearly during open handling of CNT powder. Power sawing emitted the highest particle number concentration in the EZ of both nanoparticles and coarse particles, but no individual airborne CNTs, agglomerates, or aggregates were detected. Airborne CNTs were identified, for example, in a filter sample collected in the PBZ of a worker during mixing of CNT epoxy. The airborne CNT particles were large agglomerates which looked like porous balls in the SEM images. Significant EC exposures were found in the inhalable fraction while all respirable fractions of EC were below detection. The highest inhalable EC concentrations were detected during the composite production. No significant correlation was found between inhalable EC and eBC, most likely due to losses of large EC containing particles in the sampling lines and inside the eBC monitor. In total, 39 tape samples were collected. Surface contamination of CNTs was detected on eight surfaces in the chemical and manufacturing laboratories, mainly in the near-field zone. Elongated CNT-like features were detected in the sawdust after sawing of CNT composite.Conclusions: Characterization of a workplace producing CNT composite showed that open handling of the CNT powder during weighing and mixing of CNT powder material generated the highest particle emissions and exposures. The portable direct-reading aethalometer provided time-resolved eBC exposure data with complementary information to time-integrated EC filter samples by linking peak exposures to specific WTs. Based on the results it was not possible to conclude that eBC is a good proxy of EC. Surface contamination of CNTs was detected on several surfaces in the near-field zone in the facility. This contamination could potentially be resuspended into the workplace air, and may cause secondary inhalation exposure.
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| 10. |
- Hontañón, Esther, et al.
(author)
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A green dry route for antibacterial nanofinishing of textiles
- 2015
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In: Proceedings of the World Congress on New Technologies (NewTech 2015).
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Conference paper (peer-reviewed)abstract
- In this paper, an aerosol-based process is proven for imparting antibacterial property to textiles. Nanoparticles of copper and silver are produced by means of glow discharge between two electrodes in nitrogen at atmospheric pressure and passed through fabrics of cotton and polyester which act as filter media. The bactericidal performance of the nanofinished fabrics is assessed against Gram-positive Staphylococcus aureus and Gramnegative Klebsiella pneumonia bacteria. Nanoparticle loads of about 0.3 g/m2 (~ 0.2 wt %) give strong antibacterial activity to the fabrics regardless of particle composition and size. Higher loads do not enhance the bactericide property but affect the colour and hand feel of the fabrics. Cotton and polyester fabrics with low loads (<0.3 g/m2) of small silver nanoparticles (<10 nm) show different bactericidal behaviour. Polyester fabrics attain good antibacterial activity for SA and KP, which is retained (KP) or decreases (SA) after washing. Cotton fabrics show hardly bactericidal property but, in some cases, it increases after washing.
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