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Iskalni niz: "ključne besede" (spectroscopy) .

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1.
Mineral CO₂ Sequestration in Industrial Waste Materials : a comparative study using FTIR, TGA and calcimetry
Sara Tominc, Majda Pavlin, Maruša Mrak, Vilma Ducman, Ognjen Lj. Rudić, Cyrill Vallazza-Grengg, 2026, objavljeni znanstveni prispevek na konferenci

Povzetek: Mineral CO2 sequestration is a promising approach for reducing greenhouse gas emissions by storing CO2 in stable forms permanently. This process involves capturing CO2 and converting it into solid carbonates through mineralisation. Waste ashes and slags, by-products of waste incineration and steel production, are promising materials for CO2 sequestration, due to their high alkalinity and reactive mineral phases. In this study, the CO2 sequestration potentials of different metallurgical slags and incineration ashes from Austria and Slovenia were analysed using Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), and calcimetry. Biomass ash (A1) showed the highest sequestration capacity of 153.7 g CO2 per kg of ash.
Ključne besede: CO2 sequestration capacity, enhanced carbonation, thermogravimetric analysis, calcimetry, Fourier transform infrared spectroscopy
Objavljeno v DiRROS: 15.05.2026; Ogledov: 59; Prenosov: 44
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Probabilistic electrochemical impedance spectroscopy-based fault diagnosis of solid oxide electrolysis cell systems under variable operating conditions
Luka Žnidarič, Đani Juričić, Bertrand Morel, Žiga Gradišar, 2026, izvirni znanstveni članek

Povzetek: This work presents a probabilistic diagnostic framework for solid oxide electrolyser cell systems based on electrochemical impedance spectroscopy. Instead of assuming a fixed operating point, the framework explicitly accounts for variations in operating conditions. Spectral data are deconvoluted using an equivalent circuit model whose parameters are obtained via variational Bayes inference, resulting in probabilistic estimates. Parameters inferred under nominal (healthy) operating conditions are then described by a Gaussian process model and subsequently used to check for faults. Specifically, deviations from nominal behaviour are quantified by means of the Wasserstein distance, which measures the discrepancy between the predicted and experimentally obtained parameter distributions. These distance-based residuals form a set of features that enable fault detection and fault isolation using a support vector classifier. The complete framework is validated on data from a 6-cell solid oxide electrolyser short stack collected over a 90-day experimental campaign comprising more than 600 electrochemical impedance spectroscopy spectra. On the test set, the proposed approach achieved 97% accuracy for fault detection and 96% accuracy for multiclass fault isolation under variable operating conditions, demonstrating robust diagnostic performance in dynamically operated solid oxide electrolysis cell systems.
Ključne besede: solid oxide electrolysis cell, hydrogen production, electrochemical impedance spectroscopy, Wasserstein distance, support vector classifier, fault diagnosis
Objavljeno v DiRROS: 23.04.2026; Ogledov: 178; Prenosov: 124
.pdf Celotno besedilo (3,03 MB)
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Green inhibition of microbiologically influenced corrosion on 316L stainless steel by Artemisia annua extract
Gloria Zlatić Jelić, Ivana Martinović, Zora Pilić, Janez Kovač, Marcela Romić, 2026, izvirni znanstveni članek

Povzetek: 316L stainless steel is widely used in marine and biomedical applications. However, its protective Cr-rich passive film can be destabilized by microbiologically influenced corrosion (MIC). Here, a multidisciplinary approach combining electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PP), optical profilometry, ATR-FTIR, X-ray photoelectron spectroscopy (XPS), and ICP-OES was used to investigate corrosion behavior and passive film chemistry of 316L stainless steel (SS) exposed to Pseudomonas aeruginosa in artificial seawater, and to evaluate the inhibitory effect of an aqueous Artemisia annua extract (AAE). Exposure to P. aeruginosa, resulted in a marked decrease in film resistance, increased corrosion current density, enhanced Fe dissolution, and pronounced surface pitting. Although biotic exposure increased the apparent oxide thickness, XPS analysis revealed the formation of a chemically heterogeneous and less protective surface layer. In contrast, the addition of AAE significantly mitigated these effects by stabilizing a Cr-enriched passive film, increasing charge-transfer resistance, reducing jcor, and suppressing localized attack. ATR-FTIR confirmed adsorption of phenolic acids from AAE, while XPS depth profiling revealed stabilization and thickening of the passive layer. The inhibition efficiency of AAE, evaluated by PP, EIS, and ICP-OES, ranged from 65% to 83%, demonstrating consistent protective behavior across all methods. These results indicate that A. annua extract acts as a plant-derived corrosion inhibitor that preserves the functional stability of the Cr-rich passive film under MIC conditions, offering a promising strategy for corrosion mitigation in marine environments.
Ključne besede: biofilm formation, electrochemical impendance spectroscopy, seawater corrosion, ATR-FTIR spectroscopy, X‑ray photoelectron spectroscopy, passive film stability
Objavljeno v DiRROS: 20.03.2026; Ogledov: 258; Prenosov: 175
.pdf Celotno besedilo (6,59 MB)
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Molecular dynamics in tetrafluoridoborate salts of divalent metals studied by nuclear magnetic resonance spectroscopy
Anton Gradišek, Kristian Radan, Matic Lozinšek, 2026, izvirni znanstveni članek

Povzetek: Fluoridoborate (BF4−) salts are linchpins across synthesis and catalysis, key constituents of ionic liquids, and promising electro-lytes and additives in next-generation multivalent rechargeable batteries. Despite this reach, quantitative links between crystalchemistry and anion motion remain scarce. Here, we present a molecular dynamics study of four such salts, namely M(BF4 ) 2(M = Ca 2+, Sr 2+, Ba 2+, Cd2+), by means of nuclear magnetic resonance spectroscopy (NMR). We measured the temperature depen-dence of static 19 F NMR spectra and spin-lattice relaxation and determined the values of activation energies for the thermally-activated reorientations for the BF4− tetrahedra. We draw a comparison with systems with similar geometries, such as thewell-studied complex metal borohydrides.
Ključne besede: fluorides, metal tetrafluoridoborates, molecular dynamics, nuclear magnetic resonance spectroscopy
Objavljeno v DiRROS: 13.03.2026; Ogledov: 241; Prenosov: 192
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Brain oxygenation monitoring during neonatal stabilization and resuscitation and its potential for improving preterm infant outcomes : a systematic review and meta-analysis with Bayesian analysis
Marlies Bruckner, Thomas Suppan, Ena Suppan, Bernhard Schwaberger, Berndt Urlesberger, Katharina Goeral, Marlene Hammerl, Tina Perme, Eugene M. Dempsey, Laila Springer, 2025, pregledni znanstveni članek

Povzetek: Neonatal stabilization and resuscitation in preterm infants are critical interventions. Cerebral tissue oxygen saturation (CrSO2) measured with near-infrared spectroscopy monitoring offers potential benefits by providing real-time information on brain oxygenation. This systematic review aimed to determine if CrSO2-monitoring to guide neonatal resuscitation after birth can improve survival without cerebral injury. A systematic search of MEDLINE, Google Scholar, EMBASE, the Cumulative Index of Nursing and Allied Health Literature, Clinical Trials.gov, and the Cochrane Central Register of Controlled Trials was performed through December 2024. We included only human studies that investigated CrSO2-guided interventions during neonatal resuscitation after birth in preterm infants. A meta-analysis was performed using individual patient data and the Bayesian method. The main outcome assessed was survival without cerebral injury (Study registration:PROSPERO CRD42024512148). Two studies were identified, including a total of 667 preterm infants with less than 34 weeks of gestation, describing CrSO2-guided interventions during neonatal resuscitation. The meta-analysis revealed a high probability of treatment superiority for NIRS-guided interventions that demonstrated improved outcomes compared to standard care, with a 4.5% increase in the rate of survival without cerebral injury (93% probability) and 4.2% reduction of IVH of any grade (94% probability). The risk of bias can be described as low.Conclusion:This meta-analysis suggests that CrSO2-guided interventions may offer a meaningful advantage in preterm infant resuscitation after birth, improving survival without brain injury. The analysis indicates a high probability of a clinically important benefit. This warrants consideration in clinical practice. What is Known:center dot Studies have shown that near-infrared spectroscopy can monitor brain oxygenation in preterm infants immediately after birth.What is New:center dot This is the first meta-analysis to examine the impact of near-infrared spectroscopy based interventions on neonatal resuscitation outcomes.center dot Interventions based on monitoring preterm infants' cerebral oxygenation may improve their chances of surviving without severe brain injury, compared to standard care.
Ključne besede: brain oxygenation, cerebral tissue oxygen saturation, delivery room, NIRS, near-infrared spectroscopy, neonatal resuscitation, neonatal stabilization, neonates, preterm infants
Objavljeno v DiRROS: 24.02.2026; Ogledov: 330; Prenosov: 150
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Simultaneous shifts in pressure and electric field boost the caloric response in ferroelectrics
Ming Zeng, Ivana Goričan, Silvo Drnovšek, Hana Uršič Nemevšek, Josel Lluis Tamarit, 2025, izvirni znanstveni članek

Povzetek: Solid-state caloric effects driven by external fields promise sustainable cooling and heating but their implementation requires performance enhancement. Multicaloric effects, induced by multiple fields, offer unique avenues for improvement. Here, the unexplored multicaloric potential of ferroelectrics driven simultaneously by electric field and pressure is investigated. For this purpose, unprecedented experiments of dielectric spectroscopy and calorimetry under these two fields are conducted on the archetypal electrocaloric material lead scandium tantalate ceramics. This allows analysis of the pressure–electric field phase space and the cross-coupling response of this multivariable system. More importantly, the multicaloric response offers opportunities unachievable with one field: caloric effects on decompression from 250 MPa triple if an electric field of ∼6 kV cm−1 is simultaneously applied. Conversely, reversible caloric effects, unrealizable under low electric fields, reach 2 J K−1 kg−1 if a decompression from 250 MPa is simultaneously performed. Also, tuning pressure between 0 and 300 MPa shifts the caloric response to span over 20 K below room temperature, meeting household requirements. Our study not only demonstrates the viability and novelty of multivariate calorimetry and dielectric spectroscopy; more importantly, it also reveals the impact of the multicaloric response in ferroelectrics, promising new opportunities and physical insights in this broad material family.
Ključne besede: multicaloric effects, experiments of dielectric spectroscopy
Objavljeno v DiRROS: 16.01.2026; Ogledov: 384; Prenosov: 249
.pdf Celotno besedilo (3,14 MB)
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