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Gielis, J.; Brasili, S. |
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Proceedings of the 1st International Symposium on Square Bamboos and the Geometree (ISSBG 2022) |
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ME3 Book as editor |
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2023 |
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xi, 175 p. |
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ME3 Book as editor; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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2023-11-29 |
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978-90-833839-0-3 |
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UA @ admin @ c:irua:201049 |
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9077 |
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Author |
Poppe, R. |
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Title |
Refining short-range order parameters from diffuse electron scattering |
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Doctoral thesis |
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2023 |
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iv, 150 p. |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Electrons, X-rays and neutrons that pass through a thin crystalline sample will be diffracted. Diffraction patterns of crystalline materials contain Bragg reflections (sharp discrete intensity maxima) and diffuse scattering (a weak continuous background). The Bragg reflections contain information about the average crystal structure (the type of atoms and the average atomic positions), whereas the diffuse scattering contains information about the short-range order (deviations from the average crystal structure that are ordered on a local scale). Because the properties of many materials depend on the short-range order, refining short-range order parameters is essential for understanding and optimizing material properties. The refinement of short-range order parameters has previously been applied to the diffuse scattering in single-crystal X-ray and single-crystal neutron diffraction data but not yet to the diffuse scattering in single-crystal electron diffraction data. In this work, we will verify the possibility to refine short-range order parameters from the diffuse scattering in single-crystal electron diffraction data. Electron diffraction allows to acquire data on submicron-sized crystals, which are too small to be investigated with single-crystal X-ray and single-crystal neutron diffraction. In the first part of this work, we will refine short-range order parameters from the one-dimensional diffuse scattering in electron diffraction data acquired on the lithium-ion battery cathode material Li1.2Ni0.13Mn0.54Co0.13O2. The number of stacking faults and the twin percentages will be refined from the diffuse scattering using a Monte Carlo refinement. We will also describe a method to determine the spinel/layered phase ratio from the intensities of the Bragg reflections in electron diffraction data. In the second part of this work, we will refine short-range order parameters from the three-dimensional diffuse scattering in both single-crystal electron and single-crystal X-ray diffraction data acquired on Nb0.84CoSb. The correlations between neighbouring vacancies and the displacements of Sb and Co atoms will be refined from the diffuse scattering using a Monte Carlo refinement and a three-dimensional difference pair distribution function refinement. The effect of different experimental parameters on the spatial resolution of the observed diffuse scattering will also be investigated. Finally, the model of the short-range Nb-vacancy order in Nb0.84CoSb will also be applied to LiNi0.5Sn0.3Co0.2O2. |
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UA @ admin @ c:irua:200610 |
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9084 |
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Author |
Vervloessem, E. |
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Title |
The role of pulsing and humidity in plasma-based nitrogen fixation : a combined experimental and modeling study |
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Doctoral thesis |
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Year |
2023 |
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358 p. |
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Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Nitrogen (N) is an indispensable building block for all living organisms as well as for pharmaceutical and chemical industry. In a nutshell, N is needed for plants to grow and beings to live and nitrogen fixation (NF) is the process that makes N available for plants as food by converting N2 into a reactive form, such as ammonia (NH3) or nitrogen oxides (NOx), upon reacting with O2 and H2. The aim of this thesis is to elucidate (wet) plasma-based nitrogen fixation with a focus on (1) the role of pulsing in achieving low energy consumption, (2) the role of H2O as a hydrogen source in nitrogen fixation and (3) elucidation of nitrogen fixation pathways in humid air and humid N2 plasma in a combined experimental and computational study. Furthermore, this thesis aims to take into account the knowledge-gaps and challenges identified in the discussion of the state of the art. Specifically, (1) we put our focus on branching out to another way of introducing water into the plasma system, i.e. H2O vapor, (2) we de-couple the problem for pathway elucidation by starting with characterization of the chosen plasma, next a simpler gas mixture and building up from there, (3) we include modelling, though not under wet conditions and (4) we focus on also analyzing species and performance outside liquid H2O. Firstly, based on the reaction analysis of a validated quasi-1D model, we can conclude that pulsing is indeed the key factor for energy-efficient NOx- formation, due to the strong temperature drop it causes. Secondly, the thesis shows that added H2O vapor, and not liquid H2O, is the main source of H for NH3 generation. Related to this, we discuss how the selectivity of plasma-based NF in humid air and humid N2 can be controlled by changing the humidity in the feed gas. Interestingly, NH3 production can be achieved in both N2 and air plasmas using H2O as a H source. Lastly, we identified a significant loss mechanism for NH3 and HNO2 that occurs in systems where these species are synthesized simultaneously, i.e. downstream from the plasma, HNO2 reacts with NH3 to form NH4NO2, which decomposes into N2 and H2O. This reduces the effective NF when not properly addressed, and should therefore be considered in future works aimed at optimizing plasma-based NF. In conclusion, this thesis adds further to the current state of the art of plasma-based NF both in the presence of H2O and in dry systems. |
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UA @ admin @ c:irua:197038 |
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9088 |
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Author |
Peeters, H. |
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Title |
Solar active photocatalytic self-cleaning coatings based on plasmon-embedded titania |
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Doctoral thesis |
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2023 |
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XX, 125 p. |
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Keywords |
Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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UA @ admin @ c:irua:201390 |
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9093 |
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Author |
Dingenen, F. |
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Title |
Solar-driven H2 production from seawater using stabilized plasmon-enhanced photocatalysts |
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Doctoral thesis |
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2023 |
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XXXVIII, 210 p. |
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Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
As natural gas prices proved to be very volatile, sustainable alternatives are highly needed. Water-derived H2 was revealed as a promising substitute, allowing to produce a green energy carrier with a minimum of harmful emissions. Direct splitting of earth-abundant seawater provides an eco-friendly route for the production of clean H2, but is hampered by selectivity and stability issues due to the presence of salts.Photocatalytic seawater splitting is particularly promising for this purpose, as it seems less affected by adversary seawater effects and might rely on free and renewable solar power. Unfortunately, the benchmark photocatalyst, TiO2, still suffers from its low solar light activity. It is only actived upon illumination with energetic ultraviolet light (<5% of the sunlight). In order to broaden the activity window to the visible light, the concept of the 'plasmonic rainbow' was explored. Here, TiO2 is modified with various gold-silver composites that possess the unique optical phenomenon of Surface Plasmon Resonance (SPR). This phenomenon enables the absorption of light at very specific wavelengths, depending on the metal type, size, shape and dielectric environment. The light energy might then be converted into hot carriers, strong local electromagnetic fields and/or heat. By combining multiple composites with various sizes and compositions, a broadband absorption could be obtained, resulting in significantly enhanced activity in photocatalytic model reactions under simulated sunlight. The major disadvantage of these plasmonic nanoparticles is their tendency to oxidize and deactivate. To overcome this, polymer shell stabilization strategies were found to be effective to protect the metal cores. Both conductive and non-conductive polymers were studied. For the former, a mix-and-wait strategy generating polyaniline shells of 2-5 nm was used, whille the latter was based on a Layer-by-Layer approach, allowing (sub) nanometer thickness control. For the actual H2 production experiments, the plasmonic loading was optimized in a pure water:methanol scavenger (7:1) mixture and initially the stabilization strategies proofed to be effective for simulated seawater (0.5M NaCl), even after 2 years. However, in real seawater, the activity decreased drastically due to aggregation of the photocatalyst in the presence of multivalent cations. Finally, facile immobilization strategies using 3D printing showed to be able to yield stable, solar active photocatalyst for real seawater splitting. |
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UA @ admin @ c:irua:203196 |
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9094 |
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Grünewald, L.; Chezganov, D.; De Meyer, R.; Orekhov, A.; Van Aert, S.; Bogaerts, A.; Bals, S.; Verbeeck, J. |
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Title |
Supplementary Information for “In-situ Plasma Studies using a Direct Current Microplasma in a Scanning Electron Microscope” |
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2023 |
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Dataset; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Supplementary information for the article “In-situ Plasma Studies using a Direct Current Microplasma in a Scanning Electron Microscope” containing the videos of in-situ SEM imaging (mp4 files), raw data/images, and Jupyter notebooks (ipynb files) for data treatment and plots. Link to the preprint: https://doi.org/10.48550/arXiv.2308.15123 Explanation of the data files can be found in the Information.pdf file. The Videos folder contains the in-situ SEM image series mentioned in the paper. If there are any questions/bugs, feel free to contact me at lukas.grunewaldatuantwerpen.be |
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UA @ admin @ c:irua:203389 |
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9100 |
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Author |
Biondo, O. |
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Title |
Towards a fundamental understanding of energy-efficient, plasma-based CO<sub>2</sub> conversion |
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Doctoral thesis |
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2023 |
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221 p. |
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Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Plasma-based CO2 conversion is worldwide gaining increasing interest. The aim of this work is to find potential pathways to improve the energy efficiency of plasma-based CO2 conversion beyond what is feasible for thermal chemistry. To do so, we use a combination of modeling and experiments to better understand the underlying mechanisms of CO2 conversion, ranging from non-thermal to thermal equilibrium conditions. Zero-dimensional (0D) chemical kinetics modelling, describing the detailed plasma chemistry, is developed to explore the vibrational kinetics of CO2, as the latter is known to play a crucial role in the energy efficient CO2 conversion. The 0D model is successfully validated against pulsed CO2 glow discharge experiments, enabling the reconstruction of the complex dynamics underlying gas heating in a pure CO2 discharge, paving the way towards the study of gas heating in more complex gas mixtures, such as CO2 plasmas with high dissociation degrees. Energy-efficient, plasma-based CO2 conversion can also be obtained upon the addition of a reactive carbon bed in the post-discharge region. The reaction between solid carbon and O2 to form CO allows to both reduce the separation costs and increase the selectivity towards CO, thus, increasing the energy efficiency of the overall conversion process. In this regard, a novel 0D model to infer the mechanism underlying the performance of the carbon bed over time is developed. The model outcome indicates that gas temperature and oxygen complexes formed at the surface of solid carbon play a fundamental and interdependent role. These findings open the way towards further optimization of the coupling between plasma and carbon bed. Experimentally, it has been demonstrated that “warm” plasmas (e.g. microwave or gliding arc plasmas) can yield very high energy efficiency for CO2 conversion, but typically only at reduced pressure. For industrial application, it will be important to realize such good energy efficiency at atmospheric pressure as well. However, recent experiments illustrate that the microwave plasma at atmospheric pressure is too close to thermal conditions to achieve a high energy efficiency. Hence, we use a comprehensive set of advanced diagnostics to characterize the plasma and the reactor performance, focusing on CO2 and CO2/CH4 microwave discharges. The results lead to a deeper understanding of the mechanism of power concentration with increasing pressure, typical of plasmas in most gases, which is of great importance for model validation and understanding of reactor performance. |
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UA @ admin @ c:irua:197213 |
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9108 |
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Author |
Hofer, C.; Mustonen, K.; Skakalova, V.; Pennycook, T.J. |
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Picometer-precision few-tilt ptychotomography of 2D materials |
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A1 Journal article |
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2023 |
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2D materials |
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10 |
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3 |
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035029-7 |
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A1 Journal article; Electron microscopy for materials research (EMAT) |
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From ripples to defects, edges and grain boundaries, the 3D atomic structure of 2D materials is critical to their properties. However the damage inflicted by conventional 3D analysis precludes its use with fragile 2D materials, particularly for the analysis of local defects. Here we dramatically increase the potential for precise local 3D atomic structure analysis of 2D materials, with both greatly improved dose efficiency and sensitivity to light elements. We demonstrate light atoms can now be located in complex 2D materials with picometer precision at doses 30 times lower than previously possible. Moreover we demonstrate this using WS2, in which the light atoms are practically invisible to conventional methods at low doses. The key advance is combining the concept of few tilt tomography with highly dose efficient ptychography in scanning transmission electron microscopy. We further demonstrate the method experimentally with the even more challenging and newly discovered 2D CuI, leveraging a new extremely high temporal resolution camera. |
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001013151600001 |
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2023-06-12 |
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2053-1583 |
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UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.5 |
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OpenAccess |
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Most recent IF: 5.5; 2023 IF: 6.937 |
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Call Number |
UA @ admin @ c:irua:197809 |
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8915 |
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Rakesh Roshan, S.C.; Yedukondalu, N.; Pandey, T.; Kunduru, L.; Muthaiah, R.; Rajaboina, R.K.; Ehm, L.; Parise, J.B. |
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Effect of atomic mass contrast on lattice thermal conductivity : a case study for alkali halides and alkaline-earth chalcogenides |
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A1 Journal article |
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2023 |
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ACS applied electronic materials |
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5 |
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11 |
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5852-5863 |
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A1 Journal article; Condensed Matter Theory (CMT) |
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Lattice thermal conductivity (kappa(L)) is of great scientific interest for the development of efficient energy conversion technologies. Therefore, microscopic understanding of phonon transport is critically important for designing functional materials. In our previous study (Roshan et al., ACS Applied Energy Mater. 2021, 5, 882-896), anomalous kappa(L) trends were predicted for rocksalt alkaline-earth chalcogenides (AECs). In the present work, we extended it to alkali halides (AHs) and conducted a thorough investigation to explore the role of atomic mass contrast on lattice dynamics and phonon transport properties of 36 binary compounds (20 AHs + 16 AECs). The calculated spectral and cumulative kappa(L) reveal that low-lying optical phonon modes significantly boost kappa(L) alongside acoustic phonons in materials where the atomic mass ratio approaches unity and cophonocity nears zero. Phonon scattering rates are relatively low for materials with a mass ratio close to one, and the corresponding phonon lifetimes are higher, which enhances kappa(L). Phonon lifetimes play a critical role, outweighing phonon group velocities, in determining the anomalous trends in kappa(L) for both AHs and AECs. To further explore the role of atomic mass contrast in kappa(L), the effect of tensile lattice strain on phonon transport has also been investigated. Under tensile strain, both group velocities and phonon lifetimes decrease in the low frequency range, leading to a decrease in kappa(L). This work provides insights on how atomic mass contrast can tune the contribution of optical phonons to kappa(L) and its implications on scattering rates by either enhancing or suppressing kappa(L). These insights would aid in the selection of elements for designing new functional materials with and without atomic mass contrast to achieve relatively high and low kappa(L) values, respectively. |
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001096792500001 |
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2023-10-26 |
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2637-6113 |
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UA @ admin @ c:irua:201198 |
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9026 |
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Yedukondalu, N.; Pandey, T.; Roshan, S.C.R. |
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Effect of hydrostatic pressure on lone pair activity and phonon transport in Bi₂O₂S |
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A1 Journal article |
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2023 |
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ACS applied energy materials |
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6 |
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4 |
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2401-2411 |
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A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Dibismuth dioxychalcogenides, Bi2O2Ch (Ch = S, Se, Te), are a promising class of materials for next-generation electronics and thermoelectrics due to their ultrahigh carrier mobility and excellent air stability. An interesting member of this family is Bi2O2S, which has a stereochemically active 6s2 lone pair of Bi3+ cations, heterogeneous bonding, and a high mass contrast between its constituent elements. In the present study, we have used first-principles calculations in combination with Boltzmann transport theory to systematically investigate the effect of hydrostatic pressure on lattice dynamics and phonon transport properties of Bi2O2S. We found that the ambient Pnmn phase has a low average lattice thermal conductivity (kappa l) of 1.71 W/(m K) at 300 K. We also predicted that Bi2O2S undergoes a structural phase transition from a low-symmetry (Pnmn) to a high-symmetry (I4/mmm) structure at around 4 GPa due to centering of Bi3+ cations with pressure. Upon compression, the lone pair activity of Bi3+ cations is suppressed, which increases kappa l by almost 3 times to 4.92 W/ (m K) at 5 GPa for the I4/mmm phase. The computed phonon lifetimes and Gru''neisen parameters show that anharmonicity decreases with increasing pressure due to further suppression of the lone pair activity and strengthening of intra-and intermolecular interactions, leading to an average room-temperature kappa l of 12.82 W/(m K) at 20 GPa. Overall, this study provides a comprehensive understanding of the effect of hydrostatic pressure on the stereochemical activity of the lone pair of Bi3+ cations and its implications on the phonon transport properties of Bi2O2S. |
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2023-02-08 |
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2574-0962 |
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UA library record; WoS full record; WoS citing articles |
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6.4 |
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Approved |
Most recent IF: 6.4; 2023 IF: NA |
|
| |
Call Number |
UA @ admin @ c:irua:195245 |
Serial |
7300 |
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| Permanent link to this record |
| |
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| |
|
Author |
Kante, M.V.; Weber, M.L.; Ni, S.; van den Bosch, I.C.G.; van der Minne, E.; Heymann, L.; Falling, L.J.; Gauquelin, N.; Tsvetanova, M.; Cunha, D.M.; Koster, G.; Gunkel, F.; Nemsak, S.; Hahn, H.; Estrada, L.V.; Baeumer, C. |
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| |
Title |
A high-entropy oxide as high-activity electrocatalyst for water oxidation |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
ACS nano |
Abbreviated Journal |
|
|
| |
Volume |
17 |
Issue |
6 |
Pages |
5329-5339 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
High-entropy materials are an emerging pathway in the development of high-activity (electro)catalysts because of the inherent tunability and coexistence of multiple potential active sites, which may lead to earth-abundant catalyst materials for energy-efficient electrochemical energy storage. In this report, we identify how the multication composition in high-entropy perovskite oxides (HEO) contributes to high catalytic activity for the oxygen evolution reaction (OER), i.e., the key kinetically limiting half-reaction in several electrochemical energy conversion technologies, including green hydrogen generation. We compare the activity of the (001) facet of LaCr0.2Mn0.2Fe0.2Co0.2Ni0.2O3-delta with the parent compounds (single B-site in the ABO3 perovskite). While the single B-site perovskites roughly follow the expected volcano-type activity trends, the HEO clearly outperforms all of its parent compounds with 17 to 680 times higher currents at a fixed overpotential. As all samples were grown as an epitaxial layer, our results indicate an intrinsic composition-function relationship, avoiding the effects of complex geometries or unknown surface composition. In-depth X-ray photoemission studies reveal a synergistic effect of simultaneous oxidation and reduction of different transition metal cations during the adsorption of reaction intermediates. The surprisingly high OER activity demonstrates that HEOs are a highly attractive, earth-abundant material class for high-activity OER electrocatalysts, possibly allowing the activity to be fine-tuned beyond the scaling limits of mono-or bimetallic oxides. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000953440900001 |
Publication Date |
2023-03-13 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1936-0851 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
17.1 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 17.1; 2023 IF: 13.942 |
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| |
Call Number |
UA @ admin @ c:irua:196097 |
Serial |
7390 |
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| Permanent link to this record |
| |
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| |
|
Author |
Zhang, G.; Huang, S.; Chaves, A.; Yan, H. |
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| |
Title |
Black phosphorus as tunable Van der Waals quantum wells with high optical quality |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
ACS nano |
Abbreviated Journal |
|
|
| |
Volume |
17 |
Issue |
6 |
Pages |
6073-6080 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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| |
Abstract |
Van der Waals quantum wells, naturally formed in two-dimensional layered materials with nanoscale thickness, possess many inherent advantages over conventional molecular beam epitaxy grown counterparts, and could bring up intriguing physics and applications. However, optical transitions originated from the series of quantized states in these emerging quantum wells are still elusive. Here, we show that multilayer black phosphorus appears to be an excellent candidate for van der Waals quantum wells with well-defined subbands and high optical quality. Using infrared absorption spectroscopy, we probe subband structures of multilayer black phosphorus with tens of atomic layers, revealing clear signatures for optical transitions with subband index as high as 10, far from what was attainable previously. Surprisingly, in addition to allowed transitions, an unexpected series of “forbidden” transitions is also evidently observed, which enables us to determine energy spacings separately for conduction and valence subbands. Furthermore, the linear tunability of subband spacings by temperature and strain is demonstrated. Our results are expected to facilitate potential applications for infrared optoelectronics based on tunable van der Waals quantum wells. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000953463300001 |
Publication Date |
2023-03-13 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1936-0851 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
17.1 |
Times cited |
|
Open Access |
Not_Open_Access |
|
| |
Notes |
|
Approved |
Most recent IF: 17.1; 2023 IF: 13.942 |
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| |
Call Number |
UA @ admin @ c:irua:196100 |
Serial |
7565 |
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| Permanent link to this record |
| |
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| |
|
Author |
Byrnes, I.; Rossbach, L.M.; Brede, D.A.; Grolimund, D.; Sanchez, D.F.; Nuyts, G.; Cuba, V.; Reinoso-Maset, E.; Salbu, B.; Janssens, K.; Oughton, D.; Scheibener, S.; Teien, H.-C.; Lind, O.C. |
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| |
Title |
Synchrotron-based X-ray fluorescence imaging elucidates uranium toxicokinetics in Daphnia magna |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
ACS nano |
Abbreviated Journal |
|
|
| |
Volume |
17 |
Issue |
6 |
Pages |
5296-5305 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Antwerp X-ray Imaging and Spectroscopy (AXIS) |
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| |
Abstract |
A combination of synchrotron-based elemental anal-ysis and acute toxicity tests was used to investigate the biodistribution and adverse effects in Daphnia magna exposed to uranium nanoparticle (UNP, 3-5 nm) suspensions or to uranium reference (Uref) solutions. Speciation analysis revealed similar size distributions between exposures, and toxicity tests showed com-parable acute effects (UNP LC50: 402 mu g L-1 [336-484], Uref LC50: 268 mu g L-1 [229-315]). However, the uranium body burden was 3 -to 5-fold greater in UNP-exposed daphnids, and analysis of survival as a function of body burden revealed a similar to 5-fold higher specific toxicity from the Uref exposure. High-resolution X-ray fluorescence elemental maps of intact, whole daphnids from sublethal, acute exposures of both treatments revealed high uranium accumulation onto the gills (epipodites) as well as within the hepatic ceca and the intestinal lumen. Uranium uptake into the hemolymph circulatory system was inferred from signals observed in organs such as the heart and the maxillary gland. The substantial uptake in the maxillary gland and the associated nephridium suggests that these organs play a role in uranium removal from the hemolymph and subsequent excretion. Uranium was also observed associated with the embryos and the remnants of the chorion, suggesting uptake in the offspring. The identification of target organs and tissues is of major importance to the understanding of uranium and UNP toxicity and exposure characterization that should ultimately contribute to reducing uncertainties in related environmental impact and risk assessments. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000960129800001 |
Publication Date |
2023-03-15 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1936-0851 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
17.1 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 17.1; 2023 IF: 13.942 |
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| |
Call Number |
UA @ admin @ c:irua:196061 |
Serial |
8631 |
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| Permanent link to this record |
| |
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| |
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Author |
Tran, T.T.; Lee, Y.; Roy, S.; Tran, T.U.; Kim, Y.; Taniguchi, T.; Watanabe, K.; Milošević, M.V.; Lim, S.C.; Chaves, A.; Jang, J.I.; Kim, J. |
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| |
Title |
Synergetic enhancement of quantum yield and exciton lifetime of monolayer WS₂ by proximal metal plate and negative electric bias |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
ACS nano |
Abbreviated Journal |
|
|
| |
Volume |
18 |
Issue |
1 |
Pages |
220-228 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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| |
Abstract |
The efficiency of light emission is a critical performance factor for monolayer transition metal dichalcogenides (1L-TMDs) for photonic applications. While various methods have been studied to compensate for lattice defects to improve the quantum yield (QY) of 1L-TMDs, exciton-exciton annihilation (EEA) is still a major nonradiative decay channel for excitons at high exciton densities. Here, we demonstrate that the combined use of a proximal Au plate and a negative electric gate bias (NEGB) for 1L-WS2 provides a dramatic enhancement of the exciton lifetime at high exciton densities with the corresponding QY enhanced by 30 times and the EEA rate constant decreased by 80 times. The suppression of EEA by NEGB is attributed to the reduction of the defect-assisted EEA process, which we also explain with our theoretical model. Our results provide a synergetic solution to cope with EEA to realize high-intensity 2D light emitters using TMDs. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
001139516800001 |
Publication Date |
2023-12-21 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1936-0851 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:202811 |
Serial |
9101 |
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| Permanent link to this record |
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| |
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Author |
Grubova, I.Y.; Surmenev, R.A.; Neyts, E.C.; Koptyug, A.V.; Volkova, A.P.; Surmeneva, M.A. |
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| |
Title |
Combined first-principles and experimental study on the microstructure and mechanical characteristics of the multicomponent additive-manufactured Ti-35Nb-7Zr-5Ta alloy |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
ACS Omega |
Abbreviated Journal |
|
|
| |
Volume |
8 |
Issue |
30 |
Pages |
27519-27533 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
New & beta;-stabilizedTi-based alloys are highly promising forbone implants, thanks in part to their low elasticity. The natureof this elasticity, however, is as yet unknown. We here present combinedfirst-principles DFT calculations and experiments on the microstructure,structural stability, mechanical characteristics, and electronic structureto elucidate this origin. Our results suggest that the studied & beta;Ti-35Nb-7Zr-5Ta wt % (TNZT) alloy manufacturedby the electron-beam powder bed fusion (E-PBF) method has homogeneousmechanical properties (H = 2.01 & PLUSMN; 0.22 GPa and E = 69.48 & PLUSMN; 0.03 GPa) along the building direction,which is dictated by the crystallographic texture and microstructuremorphologies. The analysis of the structural and electronic properties,as the main factors dominating the chemical bonding mechanism, indicatesthat TNZT has a mixture of strong metallic and weak covalent bonding.Our calculations demonstrate that the softening in the Cauchy pressure(C & PRIME; = 98.00 GPa) and elastic constant C ̅ ( 44 ) = 23.84 GPa is the originof the low elasticity of TNZT. Moreover, the nature of this softeningphenomenon can be related to the weakness of the second and thirdneighbor bonds in comparison with the first neighbor bonds in theTNZT. Thus, the obtained results indicate that a carefully designedTNZT alloy can be an excellent candidate for the manufacturing oforthopedic internal fixation devices. In addition, the current findingscan be used as guidance not only for predicting the mechanical propertiesbut also the nature of elastic characteristics of the newly developedalloys with yet unknown properties. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
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Editor |
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| |
Language |
|
Wos |
001031269000001 |
Publication Date |
2023-07-18 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2470-1343 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:198313 |
Serial |
9011 |
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| Permanent link to this record |
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| |
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Author |
Parrilla, M.; Detamornrat, U.; Domínguez-Robles, J.; Tunca, S.; Donnelly, R.F.; De Wael, K. |
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| |
Title |
Wearable microneedle-based array patches for continuous electrochemical monitoring and drug delivery : toward a closed-loop system for methotrexate treatment |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
ACS sensors |
Abbreviated Journal |
|
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| |
Volume |
|
Issue |
|
Pages |
acssensors.3c01381-10 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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| |
Abstract |
Wearable devices based on microneedle (MN) technology have recently emerged as tools for in situ transdermal sensing or delivery in interstitial fluid (ISF). Particularly, MN-based electrochemical sensors allow the continuous monitoring of analytes in a minimally invasive manner through ISF. Exogenous small molecules found in ISF such as therapeutic drugs are ideal candidates for MN sensors due to their correlation with blood levels and their relevance for the optimal management of personalized therapies. Herein, a hollow MN array patch is modified with conductive pastes and functionalized with cross-linked chitosan to develop an MN-based voltammetric sensor for continuous monitoring of methotrexate (MTX). Interestingly, the chitosan coating avoids biofouling while enabling the adsorption of MTX at the electrode’s surface for sensitive analysis. The MN sensor exhibits excellent analytical performance in vitro with protein-enriched artificial ISF and ex vivo under a Franz diffusion cell configuration. The MN sensor shows a linear range from 25 to 400 μM, which fits within the therapeutic range of high-dose MTX treatment for cancer patients and an excellent continuous operation for more than two days. Moreover, an iontophoretic hollow MN array patch is developed with the integration of both the anode and cathode in the single MN array patch. The ex vivo characterization demonstrates the transdermal on-demand drug delivery of MTX. Overall, the combination of both MN patches represents impactful progress in closed-loop systems for therapeutic drug management in disorders such as cancer, rheumatoid arthritis, or psoriasis. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
001109702900001 |
Publication Date |
2023-10-19 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2379-3694 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
8.9 |
Times cited |
|
Open Access |
Not_Open_Access: Available from 19.04.2024 |
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| |
Notes |
|
Approved |
Most recent IF: 8.9; 2023 IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:200074 |
Serial |
8956 |
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| Permanent link to this record |
| |
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| |
|
Author |
Sahun, M.; Privat-Maldonado, A.; Lin, A.; De Roeck, N.; Van de Heyden, L.; Hillen, M.; Michiels, J.; Steenackers, G.; Smits, E.; Ariën, K.K.; Jorens, P.G.; Delputte, P.; Bogaerts, A. |
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| |
Title |
Inactivation of SARS-CoV-2 and other enveloped and non-enveloped viruses with non-thermal plasma for hospital disinfection |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
ACS Sustainable Chemistry and Engineering |
Abbreviated Journal |
|
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| |
Volume |
|
Issue |
|
Pages |
1-10 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Center for Oncological Research (CORE); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Laboratory Experimental Medicine and Pediatrics (LEMP) |
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| |
Abstract |
As recently highlighted by the SARS-CoV-2 pandemic, viruses have become an increasing burden for health, global economy, and environment. The control of transmission by contact with contaminated materials represents a major challenge, particularly in hospital environments. However, the current disinfection methods in hospital settings suffer from numerous drawbacks. As a result, several medical supplies that cannot be properly disinfected are not reused, leading to severe shortages and increasing amounts of waste, thus prompting the search for alternative solutions. In this work, we report that non-thermal plasma (NTP) can effectively inactivate SARS-CoV-2 from non-porous and porous materials commonly found in healthcare facilities. We demonstrated that 5 min treatment with a dielectric barrier discharge NTP can inactivate 100% of SARS-CoV-2 (Wuhan and Omicron strains) from plastic material. Using porcine respiratory coronavirus (surrogate for SARS-CoV-2) and coxsackievirus B3 (highly resistant non-enveloped virus), we tested the NTP virucidal activity on hospital materials and obtained complete inactivation after 5 and 10 min, respectively. We hypothesize that the produced reactive species and local acidification contribute to the overall virucidal effect of NTP. Our results demonstrate the potential of dielectric barrier discharge NTPs for the rapid, efficient, and low-cost disinfection of healthcare materials. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
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| |
Language |
|
Wos |
000964269500001 |
Publication Date |
2023-03-23 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2168-0485 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
8.4 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 8.4; 2023 IF: 5.951 |
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| |
Call Number |
UA @ admin @ c:irua:194897 |
Serial |
7269 |
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| Permanent link to this record |
| |
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| |
|
Author |
Yang, C.-Q.; Zhi, R.; Rothmann, M.U.; Xu, Y.-Y.; Li, L.-Q.; Hu, Z.-Y.; Pang, S.; Cheng, Y.-B.; Van Tendeloo, G.; Li, W. |
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| |
Title |
Unveiling the intrinsic structure and intragrain defects of organic-inorganic hybrid perovskites by ultralow dose transmission electron microscopy |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Advanced materials |
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
1-9 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Transmission electron microscopy (TEM) is a powerful tool for unveiling the structural, compositional, and electronic properties of organic-inorganic hybrid perovskites (OIHPs) at the atomic to micrometer length scales. However, the structural and compositional instability of OIHPs under electron beam radiation results in misunderstandings of the microscopic structure-property-performance relationship in OIHP devices. Here, ultralow dose TEM is utilized to identify the mechanism of the electron-beam-induced changes in OHIPs and clarify the cumulative electron dose thresholds (critical dose) of different commercially interesting state-of-the-art OIHPs, including methylammonium lead iodide (MAPbI(3)), formamidinium lead iodide (FAPbI(3)), FA(0.83)Cs(0.17)PbI(3), FA(0.15)Cs(0.85)PbI(3), and MAPb(0.5)Sn(0.5)I(3). The critical dose is related to the composition of the OIHPs, with FA(0.15)Cs(0.85)PbI(3) having the highest critical dose of approximate to 84 e angstrom(-2) and FA(0.83)Cs(0.17)PbI(3) having the lowest critical dose of approximate to 4.2 e angstrom(-2). The electron beam irradiation results in the formation of a superstructure with ordered I and FA vacancies along (c), as identified from the three major crystal axes in cubic FAPbI(3), (c), (c), and (c). The intragrain planar defects in FAPbI(3) are stable, while an obvious modification is observed in FA(0.83)Cs(0.17)PbI(3) under continuous electron beam exposure. This information can serve as a guide for ensuring a reliable understanding of the microstructure of OIHP optoelectronic devices by TEM. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000950461600001 |
Publication Date |
2023-02-13 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0935-9648 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
29.4 |
Times cited |
|
Open Access |
Not_Open_Access |
|
| |
Notes |
|
Approved |
Most recent IF: 29.4; 2023 IF: 19.791 |
|
| |
Call Number |
UA @ admin @ c:irua:195116 |
Serial |
7349 |
|
| Permanent link to this record |
| |
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| |
|
Author |
Espinosa, I.M.P.; Karaaslan, Y.; Sevik, C.; Martini, A. |
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| |
Title |
Atomistic model of the anisotropic response of ortho-Mo₂C to indentation |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
AIP advances |
Abbreviated Journal |
|
|
| |
Volume |
13 |
Issue |
6 |
Pages |
065125-65127 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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| |
Abstract |
Molybdenum carbide has various applications for which studying the material using classical molecular dynamics simulations would be valuable. Here, we develop an empirical potential within the Tersoff formalism using particle swarm optimization for the orthorhombic phase of Mo2C. The developed potential is shown to predict lattice constants, elastic properties, and equation of state results that are consistent with current and previously reported results from experiments and first principles calculations. We demonstrate the potential with simulations of indentation using multiple indenter sizes that load and unload in three different directions relative to the crystallographic lattice of orthorhombic Mo2C. Direction-dependent force-displacement trends are analyzed and explained in terms of the spatial distributions of stress and strain within the material during indentation. This study reveals the anisotropic elasticity of orthorhombic Mo2C and, more generally, provides researchers with a new empirical potential that can be used to explore the properties and behavior of the material going forward. |
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Address |
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Corporate Author |
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Thesis |
|
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| |
Publisher |
|
Place of Publication |
|
Editor |
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| |
Language |
|
Wos |
001016472500005 |
Publication Date |
2023-06-23 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2158-3226 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ admin @ c:irua:198333 |
Serial |
8834 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Ysebaert, T.; Samson, R.; Denys, S. |
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| |
Title |
Revisiting dry deposition modelling of particulate matter on vegetation at the microscale |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Air quality, atmosphere & health |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Dry deposition is an important process determining pollutant concentrations, especially when studying the influence of urban green infrastructure on particulate matter (PM) levels in cities. Computational fluid dynamics (CFD) models of PM capture by vegetation are useful tools to increase their applicability. The meso-scale models of Zhang et al. (Atmos Environ 35:549-560, 2001) and Petroff and Zhang (Geosci Model Dev 3(2):753-769, 2010) have often been adopted in CFD models, however a comparison of these models with measurements including all PM particle sizes detrimental to health has been rarely reported and certainly not for green wall species. This study presents dry deposition experiments on real grown Hedera helix in a wind tunnel setup with wind speeds from 1 to 4 m s(-1) and PM consisting of a mixture of soot (0.02 – 0.2 mu mu m) and dust particles (0.3 – 10 mu mu m). Significant factors determining the collection efficiency (%) were particle diameter and wind speed, but relative air humidity and the type of PM (soot or dust) did not have a significant influence. Zhang's model outperformed Petroff's model for particles < 0.3 mu mu m, however the inclusion of turbulent impaction in Petroff's model resulted in better agreement with the measurements for particles > 2 – 3 mu mu m. The optimised model had an overall root-mean-square-error of similar to 4% for collection efficiency (CE) and 0.4 cm s-1 for deposition velocity (nu d), which was shown to be highly competitive against previously described models. It can thus be used to model PM deposition on other plant species, provided the correct parameterisation of the drag by this species. A detailed description of the spatial distribution of the vegetation could solve the underestimation for particle sizes of 0.3 – 2 mu mu m. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001125841300001 |
Publication Date |
2023-12-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1873-9318; 1873-9326 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:201986 |
Serial |
9086 |
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| Permanent link to this record |
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Author |
Alvarez-Martin, A.; Quanico, J.; Scovacricchi, T.; Avranovich Clerici, E.; Baggerman, G.; Janssens, K. |
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Title |
Chemical mapping of the degradation of geranium lake in paint cross sections by MALDI-MSI |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Analytical chemistry |
Abbreviated Journal |
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| |
Volume |
95 |
Issue |
49 |
Pages |
18215-18223 |
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| |
Keywords |
A1 Journal article; Antwerp X-ray Imaging and Spectroscopy (AXIS); Ecosphere |
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| |
Abstract |
Matrix assisted laser desorption ionization-mass spectrometry imaging (MALDI-MSI) has become a powerful method to extract spatially resolved chemical information in complex materials. This study provides the first use of MALDI-MSI to define spatial–temporal changes in oil paints. Due to the highly heterogeneous nature of oil paints, the sample preparation had to be optimized to prevent molecules from delocalizing. Here, we present a new protocol for the layer-specific analysis of oil paint cross sections achieving a lateral resolution of 10 μm and without losing ionization efficiency due to topographic effects. The efficacy of this method was investigated in oil paint samples containing a mixture of two historic organic pigments, geranium lake and lead white, a mixture often employed in the work of painter Vincent Van Gogh. This methodology not only allows for spatial visualization of the molecules responsible for the pink hue of the paint but also helps to elucidate the chemical changes behind the discoloration of paintings with this composition. The results demonstrate that this approach provides valuable molecular compositional information about the degradation pathways of pigments in specific paint layers and their interaction with the binding medium and other paint components and with light over time. Since a spatial correlation between molecular species and the visual pattern of the discoloration pattern can be made, we expect that mass spectrometry imaging will become highly relevant in future degradation studies of many more historical pigments and paints. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001142876000001 |
Publication Date |
2023-11-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0003-2700; 5206-882x |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
Times cited |
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Open Access |
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Notes |
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Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:201644 |
Serial |
9007 |
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| Permanent link to this record |
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Author |
Gonzalez, V.; Fazlic, I.; Cotte, M.; Vanmeert, F.; Gestels, A.; De Meyer, S.; Broers, F.; Hermans, J.; van Loon, A.; Janssens, K.; Noble, P.; Keune, K. |
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Title |
Lead(II) formate in Rembrandt's Night Watch : detection and distribution from the macro- to the micro-scale |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
1-9 |
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Keywords |
A1 Journal article; Art; Antwerp X-ray Imaging and Spectroscopy (AXIS) |
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Abstract |
The Night Watch, painted in 1642 and on view in the Rijksmuseum in Amsterdam, is considered Rembrandt's most famous work. X-ray powder diffraction (XRPD) mapping at multiple length scales revealed the unusual presence of lead(II) formate, Pb(HCOO)(2), in several areas of the painting. Until now, this compound was never reported in historical oil paints. In order to get insights into this phenomenon, one possible chemical pathway was explored thanks to the preparation and micro-analysis of model oil paint media prepared by heating linseed oil and lead(II) oxide (PbO) drier as described in 17(th) century recipes. Synchrotron radiation based micro-XRPD (SR-mu-XRPD) and infrared microscopy were combined to identify and map at the micro-scale various neo-formed lead-based compounds in these model samples. Both lead(II) formate and lead(II) formate hydroxide Pb(HCOO)(OH) were detected and mapped, providing new clues regarding the reactivity of lead driers in oil matrices in historical paintings. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000920584500001 |
Publication Date |
2023-01-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
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| |
ISSN |
1433-7851; 0570-0833 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
16.6 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 16.6; 2023 IF: 11.994 |
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Call Number |
UA @ admin @ c:irua:194279 |
Serial |
7318 |
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| Permanent link to this record |
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Author |
Shi, P.; Chen, L.; Quinn, B.K.; Yu, K.; Miao, Q.; Guo, X.; Lian, M.; Gielis, J.; Niklas, K.J. |
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Title |
A simple way to calculate the volume and surface area of avian eggs |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Annals of the New York Academy of Sciences |
Abbreviated Journal |
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| |
Volume |
1524 |
Issue |
1 |
Pages |
118-131 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Egg geometry can be described using Preston's equation, which has seldom been used to calculate egg volume (V) and surface area (S) to explore S versus V scaling relationships. Herein, we provide an explicit re-expression of Preston's equation (designated as EPE) to calculate V and S, assuming that an egg is a solid of revolution. The side (longitudinal) profiles of 2221 eggs of six avian species were digitized, and the EPE was used to describe each egg profile. The volumes of 486 eggs from two avian species predicted by the EPE were compared with those obtained using water displacement in graduated cylinders. There was no significant difference in V using the two methods, which verified the utility of the EPE and the hypothesis that eggs are solids of revolution. The data also indicated that V is proportional to the product of egg length (L) and maximum width (W) squared. A 2/3-power scaling relationship between S and V for each species was observed, that is, S is proportional to (LW2)(2/3). These results can be extended to describe the shapes of the eggs of other species to study the evolution of avian (and perhaps reptilian) eggs. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000975679400001 |
Publication Date |
2023-04-28 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0077-8923; 1749-6632 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
5.2 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 5.2; 2023 IF: 4.706 |
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Call Number |
UA @ admin @ c:irua:196724 |
Serial |
8827 |
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| Permanent link to this record |
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Author |
Wang, Y.-T.; Wu, S.-M.; Luo, G.-Q.; Tian, G.; Wang, L.-Y.; Xiao, S.-T.; Wu, J.-X.; Wu, A.; Wu, K.-J.; Lenaerts, S.; Yang, X.-Y. |
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Title |
A core-shell confined Pd@TS-1 @meso-SiO2 catalyst and its synergy effect on styrene oxidation |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Applied catalysis : A : general |
Abbreviated Journal |
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| |
Volume |
650 |
Issue |
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Pages |
119016-6 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Dual active sites from acidic zeolite and Pd are not only capable of catalyzing multiple type of reactions, but could also generate unique functions owing to the synergy between metals and acidic sites. However, there are only a few reports on the investigation of the synergy of acid/Pd dual sites in TS-1. Herein, TS-1 confined Pd catalyst with mesoporous silica shell (Pd@TS-1 @meso-SiO2) has been successfully synthesized and its synergy effect contributes to the enhanced conversion rate (19.2%) and selectivity (74.7%) on styrene oxidation. The interaction between Pd and TS-1 has been investigated by EPR and 1H NMR techniques, the experimental measurements show an obvious change in the signal distribution of weakly acidic terminal hydroxyls and hydrogen-bonding silanols. The schematic illustration of selective styrene oxidation in the model of Pd@TS-1 @meso-SiO2 is proposed to clarify the synergistic effect on styrene oxidation between TS-1 and Pd nanoparticles at an atomic-/nanoscale. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001015700000001 |
Publication Date |
2022-12-28 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0926-860x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.5 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 5.5; 2023 IF: 4.339 |
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Call Number |
UA @ admin @ c:irua:197805 |
Serial |
8826 |
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| Permanent link to this record |
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Author |
Li, L.L.; Gillen, R.; Palummo, M.; Milošević, M.V.; Peeters, F.M. |
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Title |
Strain tunable interlayer and intralayer excitons in vertically stacked MoSe₂/WSe₂ heterobilayers |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Applied physics letters |
Abbreviated Journal |
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Volume |
123 |
Issue |
3 |
Pages |
033102-33106 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Recently, interlayer and intralayer excitons in transition metal dichalcogenide heterobilayers have been studied both experimentally and theoretically. In spite of a growing interest, these layer-resolved excitons in the presence of external stimuli, such as strain, remain not fully understood. Here, using density-functional theory calculations with many-body effects, we explore the excitonic properties of vertically stacked MoSe2/WSe2 heterobilayer in the presence of in-plane biaxial strain of up to 5%. We calculate the strain dependence of exciton absorption spectrum, oscillator strength, wave function, and binding energy by solving the Bethe-Salpeter equation on top of the standard GW approach. We identify the interlayer and intralayer excitons by analyzing their electron-hole weights and spatial wave functions. We show that with the increase in strain magnitude, the absorption spectrum of the interlayer and intralayer excitons is red-shifted and re-ordered, and the binding energies of these layer-resolved excitons decrease monotonically and almost linearly. We derive the sensitivity of exciton binding energy to the applied strain and find that the intralayer excitons are more sensitive to strain than the interlayer excitons. For instance, a sensitivity of -7.9 meV/% is derived for the intra-MoSe2-layer excitons, which is followed by -7.4 meV/% for the intra-WSe2-layer excitons, and by -4.2 meV/% for the interlayer excitons. Our results indicate that interlayer and intralayer excitons in vertically stacked MoSe2/WSe2 heterobilayer are efficiently tunable by in-plane biaxial strain. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001033604700003 |
Publication Date |
2023-07-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0003-6951; 1077-3118 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4; 2023 IF: 3.411 |
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Call Number |
UA @ admin @ c:irua:198382 |
Serial |
8823 |
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| Permanent link to this record |
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Author |
Tang, C.S.; Zeng, S.; Wu, J.; Chen, S.; Naradipa, M.A.; Song, D.; Milošević, M.V.; Yang, P.; Diao, C.; Zhou, J.; Pennycook, S.J.; Breese, M.B.H.; Cai, C.; Venkatesan, T.; Ariando, A.; Yang, M.; Wee, A.T.S.; Yin, X. |
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Title |
Detection of two-dimensional small polarons at oxide interfaces by optical spectroscopy |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Applied physics reviews |
Abbreviated Journal |
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| |
Volume |
10 |
Issue |
3 |
Pages |
031406-31409 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Two-dimensional (2D) perovskite oxide interfaces are ideal systems to uncover diverse emergent properties, such as the arising polaronic properties from short-range charge-lattice interactions. Thus, a technique to detect this quasiparticle phenomenon at the buried interface is highly coveted. Here, we report the observation of 2D small-polarons at the LaAlO3/SrTiO3 conducting interface using high-resolution spectroscopic ellipsometry. First-principles investigations show that interfacial electron-lattice coupling mediated by the longitudinal phonon mode facilitates the formation of these polarons. This study resolves the long-standing question by attributing the formation of interfacial 2D small polarons to the significant mismatch between experimentally measured interfacial carrier density and theoretical values. Our study sheds light on the complexity of broken periodic lattice-induced quasi-particle effects and its relationship with exotic phenomena at complex oxide interfaces. Meanwhile, this work establishes spectroscopic ellipsometry as a useful technique to detect and locate optical evidence of polaronic states and other emerging quantum properties at the buried interface. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001038283300001 |
Publication Date |
2023-09-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1931-9401 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
15 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 15; 2023 IF: 13.667 |
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Call Number |
UA @ admin @ c:irua:198433 |
Serial |
8847 |
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| Permanent link to this record |
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Author |
Hillen, M.; Sels, S.; Ribbens, B.; Verspeek, S.; Janssens, K.; Van der Snickt, G.; Steenackers, G. |
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Title |
Qualitative Comparison of Lock-in Thermography (LIT) and Pulse Phase Thermography (PPT) in Mid-Wave and Long-Wave Infrared for the Inspection of Paintings |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Applied Sciences |
Abbreviated Journal |
Appl Sci-Basel |
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Volume |
13 |
Issue |
7 |
Pages |
1-13 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS) |
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Abstract |
When studying paintings with active infrared thermography (IRT), minimizing the temperature fluctuations and thermal shock during a measurement becomes important. Under these conditions, it might be beneficial to use lock-in thermography instead of the conventionally used pulse thermography (PT). This study compared the observations made with lock-in thermography (LIT) and pulse phase thermography (PPT) with halogen light excitation. Three distinctly different paintings were examined. The LIT measurements caused smaller temperature fluctuations and, overall, the phase images appeared to have a higher contrast and less noise. However, in the PPT phase images, the upper paint layer was less visible, an aspect which is of particular interest when trying to observe subsurface defects or the structure of the support. The influence of the spectral range of the cameras on the results was also investigated. All measurements were taken with a mid-wave infrared (MWIR) and long wave infrared (LWIR) camera. The results show that there is a significant number of direct reflection artifacts, caused by the use of the halogen light sources when using the MWIR camera. Adding a long-pass filter to the MWIR camera eliminated most of these artifacts. All results are presented in a side-by-side comparison. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000972133900001 |
Publication Date |
2023-03-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2076-3417 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.7 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 2.7; 2023 IF: 1.679 |
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Call Number |
UA @ admin @ c:irua:194898 |
Serial |
7333 |
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| Permanent link to this record |
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Author |
Nematollahi, P. |
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Title |
Selectivity of Mo-NC sites for electrocatalytic N₂ reduction : a function of the single atom position on the surface and local carbon topologies |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Applied surface science |
Abbreviated Journal |
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| |
Volume |
612 |
Issue |
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Pages |
155908-155909 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Transition metal (TM) doped two-dimensional single-atom catalysts are known as a promising class of catalysts for electrocatalytic gas conversion. However, the detailed mechanisms that occur at the surface of these catalysts are still unknown. In the present work, we simulate three Mo-doped nitrogenated graphene structures. In each catalyst, the position of the Mo active site and the corresponding local carbon topologies are different, i.e. MoN4C10 with in-plane Mo atom, MoN4C8 in which Mo atom bridges two adjacent armchair-like graphitic edges, and MoN2C3 in which Mo is doped at the edge of the graphene sheet. Using Density Functional Theory (DFT) calculations we discuss the electrocatalytic activity of Mosingle bondNsingle bondC structures for nitrogen reduction reaction (NRR) with a focus on unraveling the corresponding mechanisms concerning different Mo site positions and C topologies. Our results indicate that the position of the active site centers has a great effect on its electrocatalytic behavior. The gas phase N2 efficiently reduces to ammonia on MoN4C8 via the distal mechanism with an onset potential of −0.51 V. We confirm that the proposed pyridinic structure, MoN4C8, can catalyze NRR effectively with a low overpotential of 0.35 V. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000901469900003 |
Publication Date |
2022-11-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0169-4332 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
6.7 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 6.7; 2023 IF: 3.387 |
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Call Number |
UA @ admin @ c:irua:192430 |
Serial |
7275 |
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| Permanent link to this record |
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Author |
Li, C.-F.; Chen, L.-D.; Wu, L.; Liu, Y.; Hu, Z.-Y.; Cui, W.-J.; Dong, W.-D.; Liu, X.; Yu, W.-B.; Li, Y.; Van Tendeloo, G.; Su, B.-L. |
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Title |
Directly revealing the structure-property correlation in Na+-doped cathode materials |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Applied surface science |
Abbreviated Journal |
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| |
Volume |
612 |
Issue |
|
Pages |
155810-10 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The introduction of Na+ is considered as an effective way to improve the performance of Ni-rich cathode materials. However, the direct structure-property correlation for Na+ doped NCM-based cathode materials remain unclear, due to the difficulty of local and accurate structural characterization for light elements such as Li and Na. Moreover, there is the complexity of the modeling for the whole Li ion battery (LIB) system. To tackle the above-mentioned issues, we prepared Na+-doped LiNi0.6Co0.2Mn0.2O2 (Na-NCM622) material. The crystal structure change and the lattice distortion with picometers precision of the Na+-doped material is revealed by Cs-corrected scanning transmission electron microscopy (STEM). Density functional theory (DFT) and the recently proposed electrochemical model, i.e., modified Planck-Nernst-Poisson coupled Frumkin-Butler-Volmer (MPNP-FBV), has been applied to reveal correlations between the activation energy and the charge transfer resistance at multiscale. It is shown that Na+ doping can reduce the activation energy barrier from. G = 1.10 eV to 1.05 eV, resulting in a reduction of the interfacial resistance from 297 O to 134 Omega. Consequently, the Na-NCM622 cathode delivers a superior capacity retention of 90.8 % (159 mAh.g(-1)) after 100 cycles compared to the pristine NCM622 (67.5 %, 108 mAh.g(-1)). Our results demonstrate that the kinetics of Li+ diffusion and the electrochemical reaction can be enhanced by Na+ doping the cathode material. |
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Wos |
000892940300001 |
Publication Date |
2022-11-23 |
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ISSN |
0169-4332 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.7 |
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Open Access |
OpenAccess |
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Approved |
Most recent IF: 6.7; 2023 IF: 3.387 |
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Call Number |
UA @ admin @ c:irua:192758 |
Serial |
7296 |
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Author |
Oliveira, M.C.; Cordeiro, R.M.; Bogaerts, A. |
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Title |
Effect of lipid oxidation on the channel properties of Cx26 hemichannels : a molecular dynamics study |
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A1 Journal article |
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2023 |
Publication |
Archives of biochemistry and biophysics |
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746 |
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109741-12 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Intercellular communication plays a crucial role in cancer, as well as other diseases, such as inflammation, tissue degeneration, and neurological disorders. One of the proteins responsible for this, are connexins (Cxs), which come together to form a hemichannel. When two hemichannels of opposite cells interact with each other, they form a gap junction (GJ) channel, connecting the intracellular space of these cells. They allow the passage of ions, reactive oxygen and nitrogen species (RONS), and signaling molecules from the interior of one cell to another cell, thus playing an essential role in cell growth, differentiation, and homeostasis. The importance of GJs for disease induction and therapy development is becoming more appreciated, especially in the context of oncology. Studies have shown that one of the mechanisms to control the formation and disruption of GJs is mediated by lipid oxidation pathways, but the underlying mechanisms are not well understood. In this study, we performed atomistic molecular dynamics simulations to evaluate how lipid oxidation influences the channel properties of Cx26 hemichannels, such as channel gating and permeability. Our results demonstrate that the Cx26 hemichannel is more compact in the presence of oxidized lipids, decreasing its pore diameter at the extracellular side and increasing it at the amino terminus domains, respectively. The permeability of the Cx26 hemichannel for water and RONS molecules is higher in the presence of oxidized lipids. The latter may facilitate the intracellular accumulation of RONS, possibly increasing oxidative stress in cells. A better understanding of this process will help to enhance the efficacy of oxidative stress-based cancer treatments. |
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001079100300001 |
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2023-09-07 |
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0003-9861; 1096-0384 |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Call Number |
UA @ admin @ c:irua:200282 |
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9028 |
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