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Author |
Chai, Z.-N.; Wang, X.-C.; Yusupov, M.; Zhang, Y.-T. |
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Title |
Unveiling the interaction mechanisms of cold atmospheric plasma and amino acids by machine learning |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
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Volume |
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Pages |
1-26 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Plasma medicine has attracted tremendous interest in a variety of medical conditions, ranging from wound healing to antimicrobial applications, even in cancer treatment, through the interactions of cold atmospheric plasma (CAP) and various biological tissues directly or indirectly. The underlying mechanisms of CAP treatment are still poorly understood although the oxidative effects of CAP with amino acids, peptides, and proteins have been explored experimentally. In this study, machine learning (ML) technology is introduced to efficiently unveil the interaction mechanisms of amino acids and reactive oxygen species (ROS) in seconds based on the data obtained from the reactive molecular dynamics (MD) simulations, which are performed to probe the interaction of five types of amino acids with various ROS on the timescale of hundreds of picoseconds but with the huge computational load of several days. The oxidative reactions typically start with H-abstraction, and the details of the breaking and formation of chemical bonds are revealed; the modification types, such as nitrosylation, hydroxylation, and carbonylation, can be observed. The dose effects of ROS are also investigated by varying the number of ROS in the simulation box, indicating agreement with the experimental observation. To overcome the limits of timescales and the size of molecular systems in reactive MD simulations, a deep neural network (DNN) with five hidden layers is constructed according to the reaction data and employed to predict the type of oxidative modification and the probability of occurrence only in seconds as the dose of ROS varies. The well-trained DNN can effectively and accurately predict the oxidative processes and productions, which greatly improves the computational efficiency by almost ten orders of magnitude compared with the reactive MD simulation. This study shows the great potential of ML technology to efficiently unveil the underpinning mechanisms in plasma medicine based on the data from reactive MD simulations or experimental measurements. In this study, since reactive molecular dynamics simulation can currently only describe interactions between a few hundred atoms in a few hundred picoseconds, deep neural networks (DNN) are introduced to enhance the simulation results by predicting more data efficiently. image |
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Wos |
001202061200001 |
Publication Date |
2024-04-15 |
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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 |
1612-8850 |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.5 |
Times cited |
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Open Access |
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Approved |
Most recent IF: 3.5; 2024 IF: 2.846 |
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Call Number |
UA @ admin @ c:irua:205512 |
Serial |
9181 |
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Author |
Yang, C.-Q.; Yin, Z.-W.; Li, W.; Cui, W.-J.; Zhou, X.-G.; Wang, L.-D.; Zhi, R.; Xu, Y.-Y.; Tao, Z.-W.; Sang, X.; Cheng, Y.-B.; Van Tendeloo, G.; Hu, Z.-Y.; Su, B.-L. |
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Title |
Atomically deciphering the phase segregation in mixed halide perovskite |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Advanced functional materials |
Abbreviated Journal |
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Issue |
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Pages |
1-10 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Mixed-halide perovskites show promising applications in tandem solar cells owing to their adjustable bandgap. One major obstacle to their commercialization is halide phase segregation, which results in large open-circuit voltage deficiency and J-V hysteresis. However, the ambiguous interplay between structural origin and phase segregation often results in aimless and unspecific optimization strategies for the device's performance and stability. An atomic scale is directly figured out the abundant Ruddlesden-Popper anti-phase boundaries (RP-APBs) within a CsPbIBr2 polycrystalline film and revealed that phase segregation predominantly occurs at RP-APB-enriched interfaces due to the defect-mediated lattice strain. By compensating their structural lead halide, such RP-APBs are eliminated, and the decreasing of strain can be observed, resulting in the suppression of halide phase segregation. The present work provides the deciphering to precisely regulate the perovskite atomic structure for achieving photo-stable mixed halide wide-bandgap perovskites of high-efficiency tandem solar cell commercial applications. The phase segregation in mixed halide perovskite film predominantly occurs at Ruddlesden-Popper anti-phase boundaries (RP-APBs)-enriched interfaces due to the defect-mediated lattice strain. The RP-APBs defects can be eliminated by compensating for their structural lead halide deficiency, resulting in the suppression of halide phase segregation. image |
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Wos |
001200673300001 |
Publication Date |
2024-04-12 |
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Edition |
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ISSN |
1616-301x |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
19 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 19; 2024 IF: 12.124 |
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Call Number |
UA @ admin @ c:irua:205509 |
Serial |
9134 |
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Author |
Pascucci, F.; Conti, S.; Perali, A.; Tempère, J.; Neilson, D. |
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Title |
Effects of intralayer correlations on electron-hole double-layer superfluidity |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Physical review B |
Abbreviated Journal |
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Volume |
109 |
Issue |
9 |
Pages |
094512-94515 |
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Keywords |
A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT) |
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Abstract |
We investigate the intralayer correlations acting within the layers in a superfluid system of electron -hole spatially separated layers. In this system, superfluidity is predicted to be almost exclusively confined to the Bose-Einstein condensate (BEC) and crossover regimes where the electron -hole pairs are well localized. In this case, Hartree-Fock is an excellent approximation for the intralayer correlations. We find in the BEC regime that the effect of the intralayer correlations on superfluid properties is negligible but in the BCS-BEC crossover regime the superfluid gap is significantly weakened by the intralayer correlations. This is caused by the intralayer correlations boosting the number of low -energy particle -hole excitations that drive the screening. We further find that the intralayer correlations suppress the predicted phenomenon in which the average pair size passes through a minimum as the crossover regime is traversed. |
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Wos |
001199662600001 |
Publication Date |
2024-03-18 |
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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 |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.7 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.7; 2024 IF: 3.836 |
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Call Number |
UA @ admin @ c:irua:205476 |
Serial |
9145 |
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Permanent link to this record |
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Author |
Borms, L.; Multani, M.; Bachus, K.; Dams, Y.; Brusselaers, J.; Van Passel, S. |
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Title |
Using natural language processing to monitor circular activities and employment |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Sustainable Production and Consumption |
Abbreviated Journal |
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Volume |
46 |
Issue |
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Pages |
42-53 |
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Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM); Herman Deleeck Centre for Social Policy |
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Abstract |
In Europe, NACE codes are used for the official classification of sectors, however, the circular economy is not sufficiently captured in this classification. Therefore, this paper improves previous attempts for defining circular activities and jobs by web scraping techniques applied to each company in Belgium. We analyze their first, second, and third official NACE codes and compare these to the NACE codes they should have been allocated to according to the web scraping data. Subsequently, we calculate circularity scores for every sector to construct an indicator for the number of circular companies and jobs. The results show that the number of circular companies is lower than the baseline from official statistics when we only consider the companies' first and main NACE code. The estimates are higher than the baseline when we also take the second and third NACE codes into account and the estimated number of circular jobs is far higher than the baseline. This research upgrades previous classifications of circular sectors and demonstrates how web scraping and novel data might improve our understanding and capacity to build data. Based on the results in this paper, we recommend a uniform data collection such as reporting standards, and an inclusion of all circular strategies in sectoral classifications. |
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Wos |
001198897900001 |
Publication Date |
2024-02-15 |
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Abbreviated Series Title |
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Edition |
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ISSN |
2352-5509 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
12.1 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 12.1; 2024 IF: NA |
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Call Number |
UA @ admin @ c:irua:204552 |
Serial |
9241 |
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Permanent link to this record |
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Author |
Clavel, J.; Lembrechts, J.; Lenoir, J.; Haider, S.; McDougall, K.; Nunez, M.A.; Alexander, J.; Barros, A.; Milbau, A.; Seipel, T.; Pauchard, A.; Fuentes-Lillo, E.; Backes, A.R.; Dar, P.; Reshi, Z.A.; Aleksanyan, A.; Zong, S.; Sierra, J.R.A.; Aschero, V.; Verbruggen, E.; Nijs, I. |
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Title |
Roadside disturbance promotes plant communities with arbuscular mycorrhizal associations in mountain regions worldwide |
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A1 Journal article |
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Year |
2024 |
Publication |
Ecography |
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Pages |
e07051-14 |
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Keywords |
A1 Journal article; Plant and Ecosystems (PLECO) – Ecology in a time of change |
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Abstract |
We assessed the impact of road disturbances on the dominant mycorrhizal types in ecosystems at the global level and how this mechanism can potentially lead to lasting plant community changes. We used a database of coordinated plant community surveys following mountain roads from 894 plots in 11 mountain regions across the globe in combination with an existing database of mycorrhizal-plant associations in order to approximate the relative abundance of mycorrhizal types in natural and disturbed environments. Our findings show that roadside disturbance promotes the cover of plants associated with arbuscular mycorrhizal (AM) fungi. This effect is especially strong in colder mountain environments and in mountain regions where plant communities are dominated by ectomycorrhizal (EcM) or ericoid-mycorrhizal (ErM) associations. Furthermore, non-native plant species, which we confirmed to be mostly AM plants, are more successful in environments dominated by AM associations. These biogeographical patterns suggest that changes in mycorrhizal types could be a crucial factor in the worldwide impact of anthropogenic disturbances on mountain ecosystems. Indeed, roadsides foster AM-dominated systems, where AM-fungi might aid AM-associated plant species while potentially reducing the biotic resistance against invasive non-native species, often also associated with AM networks. Restoration efforts in mountain ecosystems will have to contend with changes in the fundamental make-up of EcM- and ErM plant communities induced by roadside disturbance. |
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Wos |
001198654900001 |
Publication Date |
2024-04-09 |
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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 |
0906-7590 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
5.9 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 5.9; 2024 IF: 4.902 |
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Call Number |
UA @ admin @ c:irua:205605 |
Serial |
9224 |
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Permanent link to this record |
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Author |
Parrilla, M.; Sena-Torralba, A.; Steijlen, A.; Morais, S.; Maquieira, Á.; De Wael, K. |
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Title |
A 3D-printed hollow microneedle-based electrochemical sensing device for in situ plant health monitoring |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Biosensors and bioelectronics |
Abbreviated Journal |
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Volume |
251 |
Issue |
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Pages |
116131-116139 |
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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 |
Plant health monitoring is devised as a new concept to elucidate in situ physiological processes. The need for increased food production to nourish the growing global population is inconsistent with the dramatic impact of climate change, which hinders crop health and exacerbates plant stress. In this context, wearable sensors play a crucial role in assessing plant stress. Herein, we present a low-cost 3D-printed hollow microneedle array (HMA) patch as a sampling device coupled with biosensors based on screen-printing technology, leading to affordable analysis of biomarkers in the plant fluid of a leaf. First, a refinement of the 3D-printing method showed a tip diameter of 25.9 ± 3.7 μm with a side hole diameter on the microneedle of 228.2 ± 18.6 μm using an affordable 3D printer (<500 EUR). Notably, the HMA patch withstanded the forces exerted by thumb pressing (i.e. 20-40 N). Subsequently, the holes of the HMA enabled the fluid extraction tested in vitro and in vivo in plant leaves (i.e. 13.5 ± 1.1 μL). A paper-based sampling strategy adapted to the HMA allowed the collection of plant fluid. Finally, integrating the sampling device onto biosensors facilitated the in situ electrochemical analysis of plant health biomarkers (i.e. H2O2, glucose, and pH) and the electrochemical profiling of plants in five plant species. Overall, this electrochemical platform advances precise and versatile sensors for plant health monitoring. The wearable device can potentially improve precision farming practices, addressing the critical need for sustainable and resilient agriculture in changing environmental conditions. |
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Wos |
001198047000001 |
Publication Date |
2024-02-13 |
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Abbreviated Series Title |
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Edition |
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ISSN |
0956-5663 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
12.6 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 12.6; 2024 IF: 7.78 |
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Call Number |
UA @ admin @ c:irua:203204 |
Serial |
8998 |
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Permanent link to this record |
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Author |
Fang, W.; Wang, X.; Li, S.; Hao, Y.; Yang, Y.; Zhao, W.; Liu, R.; Li, D.; Li, C.; Gao, X.; Wang, L.; Guo, H.; Yi, Y. |
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Title |
Plasma-catalytic one-step steam reforming of CH₄ to CH₃OH and H₂ promoted by oligomerized [Cu-O-Cu] species on zeolites |
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A1 Journal article |
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Year |
2024 |
Publication |
Green chemistry : cutting-edge research for a greener sustainable future |
Abbreviated Journal |
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Volume |
26 |
Issue |
9 |
Pages |
5150-5154 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Oligomerized [Cu-O-Cu] species are reported to be efficient in promoting plasma catalytic one-step steam reforming of methane to methanol and hydrogen, achieving 6.8% CH4 conversion and 73.1% CH3OH selectivity without CO2. |
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Wos |
001195192800001 |
Publication Date |
2024-04-02 |
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Series Editor |
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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 |
1463-9262; 1463-9270 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
9.8 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 9.8; 2024 IF: 9.125 |
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Call Number |
UA @ admin @ c:irua:205514 |
Serial |
9165 |
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Permanent link to this record |
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Author |
Kashiwar, A.; Arseenko, M.; Simar, A.; Idrissi, H. |
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Title |
On the role of microstructural defects on precipitation, damage, and healing behavior in a novel Al-0.5Mg2Si alloy |
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A1 Journal article |
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Year |
2024 |
Publication |
Materials & design |
Abbreviated Journal |
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Volume |
239 |
Issue |
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Pages |
112765-112769 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
A recently developed healable Al-Mg2Si designed by the programmed damage and repair (PDR) strategy is studied considering the role microstructural defects play on precipitation, damage, and healing. The alloy incorporates sacrificial Mg2Si particles that precipitate after friction stir processing (FSP). They act as damage localization sites and are healable based on the solid-state diffusion of Al-matrix. A combination of different transmission electron microscopy (TEM) imaging techniques enabled the visualization and quantification of various crystallographic defects and the spatial distribution of Mg2Si precipitates. Intragrain nucleation is found to be the dominant mechanism for precipitation during FSP whereas grain boundaries and subgrain boundaries mainly lead to coarsening of the precipitates. The statistical and spatial analyses of the damaged particles have shown particle fracture as the dominant damage mechanism which is strongly dependent on the size and aspect ratio of the particles whereas the damage was not found to depend on the location of the precipitates within the matrix. The damaged particles are associated with dislocations accumulated around them. The interplay of these dislocations is directly visualized during healing based on in situ TEM heating which revealed recovery in the matrix as an operative mechanism during the diffusion healing of the PDR alloy. |
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Wos |
001194110200001 |
Publication Date |
2024-02-17 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
0264-1275; 1873-4197 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
8.4 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 8.4; 2024 IF: 4.364 |
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Call Number |
UA @ admin @ c:irua:203298 |
Serial |
9068 |
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Permanent link to this record |
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Author |
Deben, C.; Freire Boullosa, L.; Rodrigues Fortes, F.; Cardenas De La Hoz, E.; Le Compte, M.; Seghers, S.; Peeters, M.; Vanlanduit, S.; Lin, A.; Dijkstra, K.K.; Van Schil, P.; Hendriks, J.M.H.; Prenen, H.; Roeyen, G.; Lardon, F.; Smits, E. |
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Title |
Auranofin repurposing for lung and pancreatic cancer : low CA12 expression as a marker of sensitivity in patient-derived organoids, with potentiated efficacy by AKT inhibition |
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A1 Journal article |
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Year |
2024 |
Publication |
Journal of Experimental and Clinical Cancer Research |
Abbreviated Journal |
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Volume |
43 |
Issue |
1 |
Pages |
88-15 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Center for Oncological Research (CORE) |
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Abstract |
Background This study explores the repurposing of Auranofin (AF), an anti-rheumatic drug, for treating non-small cell lung cancer (NSCLC) adenocarcinoma and pancreatic ductal adenocarcinoma (PDAC). Drug repurposing in oncology offers a cost-effective and time-efficient approach to developing new cancer therapies. Our research focuses on evaluating AF's selective cytotoxicity against cancer cells, identifying RNAseq-based biomarkers to predict AF response, and finding the most effective co-therapeutic agents for combination with AF. Methods Our investigation employed a comprehensive drug screening of AF in combination with eleven anticancer agents in cancerous PDAC and NSCLC patient-derived organoids (n = 7), and non-cancerous pulmonary organoids (n = 2). Additionally, we conducted RNA sequencing to identify potential biomarkers for AF sensitivity and experimented with various drug combinations to optimize AF's therapeutic efficacy. Results The results revealed that AF demonstrates a preferential cytotoxic effect on NSCLC and PDAC cancer cells at clinically relevant concentrations below 1 µM, sparing normal epithelial cells. We identified Carbonic Anhydrase 12 (CA12) as a significant RNAseq-based biomarker, closely associated with the NF-κB survival signaling pathway, which is crucial in cancer cell response to oxidative stress. Our findings suggest that cancer cells with low CA12 expression are more susceptible to AF treatment. Furthermore, the combination of AF with the AKT inhibitor MK2206 was found to be particularly effective, exhibiting potent and selective cytotoxic synergy, especially in tumor organoid models classified as intermediate responders to AF, without adverse effects on healthy organoids. Conclusion Our research offers valuable insights into the use of AF for treating NSCLC and PDAC. It highlights AF's cancer cell selectivity, establishes CA12 as a predictive biomarker for AF sensitivity, and underscores the enhanced efficacy of AF when combined with MK2206 and other therapeutics. These findings pave the way for further exploration of AF in cancer treatment, particularly in identifying patient populations most likely to benefit from its use and in optimizing combination therapies for improved patient outcomes. |
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Wos |
001190581500001 |
Publication Date |
2024-03-22 |
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Series Volume |
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Edition |
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ISSN |
1756-9966 |
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 |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:204924 |
Serial |
9136 |
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Permanent link to this record |
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Author |
Smets, B.; Boschker, H.T.S.; Wetherington, M.T.; Lelong, G.; Hidalgo-Martinez, S.; Polerecky, L.; Nuyts, G.; De Wael, K.; Meysman, F.J.R. |
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Title |
Multi-wavelength Raman microscopy of nickel-based electron transport in cable bacteria |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Frontiers in microbiology |
Abbreviated Journal |
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Volume |
15 |
Issue |
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Pages |
1208033-16 |
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Keywords |
A1 Journal article |
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Abstract |
Cable bacteria embed a network of conductive protein fibers in their cell envelope that efficiently guides electron transport over distances spanning up to several centimeters. This form of long-distance electron transport is unique in biology and is mediated by a metalloprotein with a sulfur-coordinated nickel (Ni) cofactor. However, the molecular structure of this cofactor remains presently unknown. Here, we applied multi-wavelength Raman microscopy to identify cell compounds linked to the unique cable bacterium physiology, combined with stable isotope labeling, and orientation-dependent and ultralow-frequency Raman microscopy to gain insight into the structure and organization of this novel Ni-cofactor. Raman spectra of native cable bacterium filaments reveal vibrational modes originating from cytochromes, polyphosphate granules, proteins, as well as the Ni-cofactor. After selective extraction of the conductive fiber network from the cell envelope, the Raman spectrum becomes simpler, and primarily retains vibrational modes associated with the Ni-cofactor. These Ni-cofactor modes exhibit intense Raman scattering as well as a strong orientation-dependent response. The signal intensity is particularly elevated when the polarization of incident laser light is parallel to the direction of the conductive fibers. This orientation dependence allows to selectively identify the modes that are associated with the Ni-cofactor. We identified 13 such modes, some of which display strong Raman signals across the entire range of applied wavelengths (405–1,064 nm). Assignment of vibrational modes, supported by stable isotope labeling, suggest that the structure of the Ni-cofactor shares a resemblance with that of nickel bis(1,2-dithiolene) complexes. Overall, our results indicate that cable bacteria have evolved a unique cofactor structure that does not resemble any of the known Ni-cofactors in biology. |
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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 |
001189511900001 |
Publication Date |
2024-03-08 |
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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 |
|
Series Issue |
|
Edition |
|
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ISSN |
1664-302x |
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 |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:205115 |
Serial |
9214 |
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Permanent link to this record |
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Author |
Peeters, H.; Raes, A.; Verbruggen, S.W. |
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Title |
Plasmonic photocatalytic coatings with self-cleaning, antibacterial, air and water purifying properties tested according to ISO standards |
Type |
A1 Journal article |
|
Year |
2024 |
Publication |
Journal of photochemistry and photobiology: A: chemistry |
Abbreviated Journal |
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Volume |
451 |
Issue |
|
Pages |
115529-10 |
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Keywords |
A1 Journal article; Engineering sciences. Technology |
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Abstract |
ISO 10678:2010, ISO 22197–1 and 2, ISO 27447:2019 and ISO 27448:2009 for the photocatalytic degradation of organic dyes (methylene blue), air pollution (NOx and acetaldehyde), bacteria (E. coli and S. aureus) and solid organic fouling (oleic acid) are performed on plasmon-embedded TiO2 thin films on Borofloat® glass, as well as the commercially available titania-based self-cleaning glass PilkingtonActivTM. These standardised protocols measure the performance for the four main applications of photocatalytic materials: water purification, air purification, antibacterial and self-cleaning activity, respectively. The standards are performed exactly as prescribed to measure the activity under UV irradiation, and also in a slightly adapted manner to measure the performance under simulated solar light or visible light. Performing experiments according to ISO standards, enables an objective comparison amongst samples tested here, as well as with results from literature. This is a major asset compared to the myriad of customised setups used in laboratories worldwide that hinder a fair comparison. We point at the importance of meticulously following the ISO instructions, as we have noticed that multiple published studies adopting the ISO standards too often deviate from these protocols, thereby nullifying the added value of standardized testing. Following the ISO tests to the letter, we have demonstrated the superior performance of a previously developed plasmonic titania coating with fully embedded gold-silver nanoparticles towards all four application areas. Furthermore, our empirical data strongly support the need for a nuanced understanding of standardized testing, to ensure accurate assessment of photocatalytic materials. An examination of the ISO standards used in this work reveals notable drawbacks, including concerns about the reliability of the methylene blue degradation protocol, the issues of HNO3 accumulation in the NOx removal test, and limitations in assessing antibacterial activity and water contact angles. |
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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 |
001188107100001 |
Publication Date |
2024-02-15 |
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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 |
|
Series Issue |
|
Edition |
|
|
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ISSN |
1010-6030 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
4.3 |
Times cited |
|
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 4.3; 2024 IF: 2.625 |
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Call Number |
UA @ admin @ c:irua:203203 |
Serial |
9075 |
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Permanent link to this record |
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Author |
Vermeulen, B.B.; Monteiro, M.G.; Giuliano, D.; Sorée, B.; Couet, S.; Temst, K.; Nguyen, V.D. |
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Title |
Magnetization-switching dynamics driven by chiral coupling |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Physical review applied |
Abbreviated Journal |
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Volume |
21 |
Issue |
2 |
Pages |
024050-11 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The Dzyaloshinskii-Moriya interaction (DMI) is known to play a central role in stabilizing chiral spin textures such as skyrmions and domain walls (DWs). Electrical manipulation of DW and skyrmion motion offers possibilities for next-generation, scalable and energy-efficient spintronic devices. However, achieving the full potential of these nanoscale devices requires overcoming several challenges, including reliable electrical write and read techniques for these magnetic objects, and addressing pinning and Joule-heating concerns. Here, through micromagnetic simulations and analytical modeling, we show that DMI can directly induce magnetization switching of a nanomagnet with perpendicular magnetic anisotropy (PMA). We find that the switching is driven by the interplay between the DMI-induced magnetic frustration and the PMA. By introducing magnetic tunnel junctions to electrically access and control the magnetization direction of the PMA nanomagnet, we first show the potential of this concept to enable high-density fieldfree spin-orbit torque magnetic random-access memory. Ultimately, we demonstrate that it offers a way of transferring and processing spin information for logic operation without relying on current-driven DW or skyrmion motion. |
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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 |
001187487900001 |
Publication Date |
2024-02-26 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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|
Series Volume |
|
Series Issue |
|
Edition |
|
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ISSN |
2331-7019 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.6 |
Times cited |
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Open Access |
|
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Notes |
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Approved |
Most recent IF: 4.6; 2024 IF: 4.808 |
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Call Number |
UA @ admin @ c:irua:205518 |
Serial |
9157 |
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Permanent link to this record |
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Author |
Manaigo, F.; Bahnamiri, O.S.; Chatterjee, A.; Panepinto, A.; Krumpmann, A.; Michiels, M.; Bogaerts, A.; Snyders, R. |
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Title |
Electrical stability and performance of a nitrogen-oxygen atmospheric pressure gliding arc plasma |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
ACS Sustainable Chemistry and Engineering |
Abbreviated Journal |
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Volume |
12 |
Issue |
13 |
Pages |
5211-5219 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Nonthermal plasmas are currently being studied as a green alternative to the Haber-Bosch process, which is, today, the dominant industrial process allowing for the fixation of nitrogen and, as such, a fundamental component for the production of nitrogen-based industrial fertilizers. In this context, the gliding arc plasma (GAP) is considered a promising choice among nonthermal plasma options. However, its stability is still a key parameter to ensure industrial transfer of the technology. Nowadays, the conventional approach to stabilize this plasma process is to use external resistors. Although this indeed allows for an enhancement of the plasma stability, very little is reported about how it impacts the process efficiency, both in terms of NOx yield and energy cost. In this work, this question is specifically addressed by studying a DC-powered GAP utilized for nitrogen fixation into NOx at atmospheric pressure stabilized by variable external resistors. Both the performance and the stability of the plasma are reported as a function of the utilization of the resistors. The results confirm that while the use of a resistor indeed allows for a strong stabilization of the plasma without impacting the NOx yield, especially at high plasma current, it dramatically impacts the energy cost of the process, which increases from 2.82 to 7.9 MJ/mol. As an alternative approach, we demonstrate that the replacement of the resistor by an inductor is promising since it allows for decent stabilization of the plasma, while it does not affect either the energy cost of the process or the NOx yield. |
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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 |
001186347900001 |
Publication Date |
2024-03-16 |
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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 |
|
Series Issue |
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Edition |
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ISSN |
2168-0485 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
8.4 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 8.4; 2024 IF: 5.951 |
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Call Number |
UA @ admin @ c:irua:204774 |
Serial |
9146 |
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Permanent link to this record |
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Author |
Tschulkow, M.; Pizzol, M.; Compernolle, T.; Van den Bosch, S.; Sels, B.; Van Passel, S. |
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Title |
The environmental impacts of the lignin-first biorefineries : a consequential life cycle assessment approach |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Resources, conservation and recycling |
Abbreviated Journal |
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Volume |
204 |
Issue |
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Pages |
107466-107469 |
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Keywords |
A1 Journal article; Engineering Management (ENM) |
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Abstract |
The emerging reductive catalytic fractionation biorefinery which is currently under development aims to convert woody biomass efficiently into high-value products. Despite its potential, the environmental consequences of its implementation are not well known. Therefore, a forward-looking consequential life cycle assessment examines greenhouse gas emissions associated with its products (pulp, phenolic monomers, and oligomers) compared to alternative market options. Findings indicate that current greenhouse gas emissions exceed those of the existing alternatives, with by-products and the gaseous waste stream as major contributors. Process adaption to (i) produce higher-valued products (bleached pulps, phenols, and propylene) and (ii) incinerate gaseous waste stream for energy are proposed, potentially reducing emissions by up to 50 %, outperforming alternative options. Compared to land-based transportation, waterways can increase feedstock availability by up to 1000 km without an increase in emissions. In conclusion, the consequential approach provides valuable insights for enhancing and optimizing the environmental performance of the process. |
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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 |
001186282000001 |
Publication Date |
2024-02-14 |
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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 |
0921-3449 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
13.2 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 13.2; 2024 IF: 3.313 |
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Call Number |
UA @ admin @ c:irua:205493 |
Serial |
9234 |
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Permanent link to this record |
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Author |
Gios, E.; Verbruggen, E.; Audet, J.; Burns, R.; Butterbach-Bahl, K.; Espenberg, M.; Fritz, C.; Glatzel, S.; Jurasinski, G.; Larmola, T.; Mander, U.; Nielsen, C.; Rodriguez, A.F.; Scheer, C.; Zak, D.; Silvennoinen, H.M. |
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Title |
Unraveling microbial processes involved in carbon and nitrogen cycling and greenhouse gas emissions in rewetted peatlands by molecular biology |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Biogeochemistry |
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; Plant and Ecosystems (PLECO) – Ecology in a time of change |
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Abstract |
Restoration of drained peatlands through rewetting has recently emerged as a prevailing strategy to mitigate excessive greenhouse gas emissions and re-establish the vital carbon sequestration capacity of peatlands. Rewetting can help to restore vegetation communities and biodiversity, while still allowing for extensive agricultural management such as paludiculture. Belowground processes governing carbon fluxes and greenhouse gas dynamics are mediated by a complex network of microbial communities and processes. Our understanding of this complexity and its multi-factorial controls in rewetted peatlands is limited. Here, we summarize the research regarding the role of soil microbial communities and functions in driving carbon and nutrient cycling in rewetted peatlands including the use of molecular biology techniques in understanding biogeochemical processes linked to greenhouse gas fluxes. We emphasize that rapidly advancing molecular biology approaches, such as high-throughput sequencing, are powerful tools helping to elucidate the dynamics of key biogeochemical processes when combined with isotope tracing and greenhouse gas measuring techniques. Insights gained from the gathered studies can help inform efficient monitoring practices for rewetted peatlands and the development of climate-smart restoration and management strategies. |
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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 |
001185747700001 |
Publication Date |
2024-03-16 |
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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 |
0168-2563; 1573-515x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4 |
Times cited |
|
Open Access |
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Notes |
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Approved |
Most recent IF: 4; 2024 IF: 3.428 |
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Call Number |
UA @ admin @ c:irua:204875 |
Serial |
9239 |
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Permanent link to this record |
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Author |
Vasilakou, K.; Billen, P.; Van Passel, S.; Nimmegeers, P. |
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Title |
A Pareto aggregation approach for environmental-economic multi-objective optimization applied on a second-generation bioethanol production model |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Energy conversion and management |
Abbreviated Journal |
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Volume |
303 |
Issue |
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Pages |
118184-11 |
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Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) |
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Abstract |
Multi-objective optimization is an important decision-making tool for energy processes, as multiple targets need to be achieved. These objectives are usually conflicting since a single solution cannot be optimal for all objectives, resulting in a set of Pareto-optimal solutions. Multiple indicators might be available to describe a sustainability objective, such as the environmental impact which is commonly evaluated by performing a life cycle assessment. In this study, Pareto aggregation is proposed as a method which employs a novel multi-objective optimization-based approach as an alternative to the classically used aggregation in life cycle assessment. This method identifies conflicting environmental indicators and performs an aggregation among those that require a trade-off. An environmental-economic optimization of a second-generation bioethanol plant is used to illustrate and evaluate the proposed method. Process parameters from a biochemical conversion pathway flowsheet simulation model are chosen as optimization variables. To reduce the computational time, surrogate models, based on artificial neural networks, are used. Out of the eighteen ReCiPe Midpoint environmental indicators, five were identified as conflicting, resulting in an aggregated environmental objective, which was then traded off with the economic objective function, chosen as the levelized cost of ethanol. Comparison with the widely used single-score EcoIndicator99 showed that the Pareto aggregation method can reduce most of the environmental indicators by up to 6.5%. This research provides an insight on non-redundant objective functions, aiming at reducing the dimensionality of multi-objective optimization problems, while taking into consideration decision-makers’ preferences. |
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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 |
001185718400001 |
Publication Date |
2024-02-10 |
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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 |
0196-8904; 1879-2227 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
10.4 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 10.4; 2024 IF: 5.589 |
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Call Number |
UA @ admin @ c:irua:203046 |
Serial |
9216 |
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Permanent link to this record |
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Author |
Reynaert, S.; D’Hose, T.; de Boeck, H.J.; Laorden, D.; Dult, L.; Verbruggen, E.; Nijs, I. |
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Title |
Can permanent grassland soils with elevated organic carbon buffer negative effects of more persistent precipitation regimes on forage grass performance? |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
The science of the total environment |
Abbreviated Journal |
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Volume |
918 |
Issue |
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Pages |
170623-15 |
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Keywords |
A1 Journal article; Plant and Ecosystems (PLECO) – Ecology in a time of change |
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Abstract |
Agricultural practices enhancing soil organic carbon (SOC) show potential to buffer negative effects of climate change on forage grass performance. We tested this by subjecting five forage grass varieties differing in fodder quality and drought/flooding resistance to increased persistence in summer precipitation regimes (PR) across sandy and sandy-loam soils from either permanent (high SOC) or temporary grasslands (low SOC) in adjacent parcels. Over the course of two consecutive summers, monoculture mesocosms were subjected to rainy/dry weather alternation either every 3 days or every 30 days, whilst keeping total precipitation equal. Increased PR persistence induced species-specific drought damage and productivity declines. Soils from permanent grasslands with elevated SOC buffered plant quality, but buffering effects of SOC on drought damage, nutrient availability and yield differed between texture classes. In the more persistent PR, Festuca arundinacea FERMINA was the most productive species but had the lowest quality under both ample water supply and mild soil drought, whilst under the most intense soil droughts, Festulolium FESTILO maintained the highest yields. The hybrid Lolium × boucheanum kunth MELCOMBI had intermediate productivity and both Lolium perenne varieties showed the lowest yields under soil drought, but the highest forage quality (especially the tetraploid variety MELFORCE). Performance varied with plant maturity stage and across seasons/years and was driven by altered water and nutrient availability and related nitrogen nutrition among species during drought and upon rewetting. Moreover, whilst permanent grassland soils showed the most consistent positive effects on plant performance, their available water capacity also declined under increased PR persistence. We conclude that permanent grassland soils with historically elevated SOC likely buffer negative effects of increasing summer weather persistence on forage grass performance, but may also be more sensitive to degradation under climate change. |
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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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Language |
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Wos |
001183615800001 |
Publication Date |
2024-02-04 |
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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 |
0048-9697; 1879-1026 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
9.8 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 9.8; 2024 IF: 4.9 |
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Call Number |
UA @ admin @ c:irua:204498 |
Serial |
9191 |
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Permanent link to this record |
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Author |
Morad, V.; Stelmakh, A.; Svyrydenko, M.; Feld, L.G.; Boehme, S.C.; Aebli, M.; Affolter, J.; Kaul, C.J.; Schrenker, N.J.; Bals, S.; Sahin, Y.; Dirin, D.N.; Cherniukh, I.; Raino, G.; Baumketner, A.; Kovalenko, M.V. |
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Title |
Designer phospholipid capping ligands for soft metal halide nanocrystals |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Nature |
Abbreviated Journal |
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Volume |
626 |
Issue |
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Pages |
542-548 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The success of colloidal semiconductor nanocrystals (NCs) in science and optoelectronics is inextricable from their surfaces. The functionalization of lead halide perovskite NCs1-5 poses a formidable challenge because of their structural lability, unlike the well-established covalent ligand capping of conventional semiconductor NCs6,7. We posited that the vast and facile molecular engineering of phospholipids as zwitterionic surfactants can deliver highly customized surface chemistries for metal halide NCs. Molecular dynamics simulations implied that ligand-NC surface affinity is primarily governed by the structure of the zwitterionic head group, particularly by the geometric fitness of the anionic and cationic moieties into the surface lattice sites, as corroborated by the nuclear magnetic resonance and Fourier-transform infrared spectroscopy data. Lattice-matched primary-ammonium phospholipids enhance the structural and colloidal integrity of hybrid organic-inorganic lead halide perovskites (FAPbBr3 and MAPbBr3 (FA, formamidinium; MA, methylammonium)) and lead-free metal halide NCs. The molecular structure of the organic ligand tail governs the long-term colloidal stability and compatibility with solvents of diverse polarity, from hydrocarbons to acetone and alcohols. These NCs exhibit photoluminescence quantum yield of more than 96% in solution and solids and minimal photoluminescence intermittency at the single particle level with an average ON fraction as high as 94%, as well as bright and high-purity (about 95%) single-photon emission. Phospholipids enhance the structural and colloidal integrity of hybrid organic-inorganic lead halide perovskites and lead-free metal halide nanocrystals, which then exhibit enhanced robustness and optical properties. |
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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 |
001176943100001 |
Publication Date |
2023-12-18 |
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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 |
0028-0836; 1476-4687 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
64.8 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 64.8; 2024 IF: 40.137 |
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Call Number |
UA @ admin @ c:irua:204796 |
Serial |
9144 |
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Permanent link to this record |
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Author |
Teleshkan, E.; Van Schoubroeck, S.; Spiller, M.; Van Passel, S. |
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Title |
Assessing policy impacts on nutrient circularity : a comprehensive review |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Nutrient cycling in agroecosystems |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
1-15 |
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Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) |
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Abstract |
Nutrient circularity is an emerging concept that seeks to address the environmental problems and nutrient losses caused by agriculture and food consumption. The implementation of circular nutrient technologies and practices (CNTPs), that recover, reuse, and recycle nutrients from agricultural and urban waste is an important policy objective. Yet, which policies govern the adoption of CNTPs is not well defined. This study presents the first systematic review of impact evaluations of policy measures that aim to improve nutrient circularity regulating components of the biological cycle of the circular economy, particularly focusing on bioaccessible nutrients. The key CNTPs that were subject to existing impact evaluations were identified. CNTPs were categorized into nutrient circularity themes, with manure management emerging as a prominent focus. The reviewed studies implemented several methods to assess the impacts of policies on various dependent variables, associated with nutrient circularity. Economic simulation models and linear programming were the most prevalent methods for impact evaluation. Policy measures were labeled as either enabling or not-enabling nutrient circularity based on whether they sufficiently promoted nutrient circularity through facilitating the adoption of CNTPs, and controlling for soil, water and air health, preventing its contamination. It is concluded that incentive policies, harmonizing market support, tax incentives, and technological advancements, as well as coherence of local, national and cross-country legislation prove indispensable in steering the economic feasibility and sustainability of CNTPs, offering a promising avenue for progress and a transformative shift towards nutrient circularity. |
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Language |
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Wos |
001175764500001 |
Publication Date |
2024-02-29 |
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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 |
1385-1314; 1573-0867 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.1 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.1; 2024 IF: 1.843 |
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Call Number |
UA @ admin @ c:irua:204250 |
Serial |
9185 |
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Permanent link to this record |
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Author |
Koirala, B.; Rasti, B.; Bnoulkacem, Z.; de Lima Ribeiro, A.; Madriz, Y.; Herrmann, E.; Gestels, A.; De Kerf, T.; Lorenz, S.; Fuchs, M.; Janssens, K.; Steenackers, G.; Gloaguen, R.; Scheunders, P. |
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Title |
A multisensor hyperspectral benchmark dataset for unmixing of intimate mixtures |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
IEEE sensors journal |
Abbreviated Journal |
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Volume |
24 |
Issue |
4 |
Pages |
4694-4710 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Vision lab; Antwerp X-ray Imaging and Spectroscopy (AXIS) |
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Abstract |
Optical hyperspectral cameras capture the spectral reflectance of materials. Since many materials behave as heterogeneous intimate mixtures with which each photon interacts differently, the relationship between spectral reflectance and material composition is very complex. Quantitative validation of spectral unmixing algorithms requires high-quality ground truth fractional abundance data, which are very difficult to obtain. In this work, we generated a comprehensive laboratory ground truth dataset of intimately mixed mineral powders. For this, five clay powders (Kaolin, Roof clay, Red clay, mixed clay, and Calcium hydroxide) were mixed homogeneously to prepare 325 samples of 60 binary, 150 ternary, 100 quaternary, and 15 quinary mixtures. Thirteen different hyperspectral sensors have been used to acquire the reflectance spectra of these mixtures in the visible, near, short, mid, and long-wavelength infrared regions (350-15385) nm. Overlaps in wavelength regions due to the operational ranges of each sensor and variations in acquisition conditions resulted in a large amount of spectral variability. Ground truth composition is given by construction, but to verify that the generated samples are sufficiently homogeneous, XRD and XRF elemental analysis is performed. We believe these data will be beneficial for validating advanced methods for nonlinear unmixing and material composition estimation, including studying spectral variability and training supervised unmixing approaches. The datasets can be downloaded from the following link: https://github.com/VisionlabHyperspectral/Multisensor_datasets. |
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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 |
001173599400063 |
Publication Date |
2023-12-28 |
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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 |
1530-437x; 1558-1748 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
4.3 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 4.3; 2024 IF: 2.512 |
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Call Number |
UA @ admin @ c:irua:203094 |
Serial |
9059 |
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Permanent link to this record |
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Author |
Blagojević, J.; Mijin, S.D.; Bekaert, J.; Opačić, M.; Liu, Y.; Milošević, M.V.; Petrović, C.; Popović, Z.V.; Lazarević, N. |
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Title |
Competition of disorder and electron-phonon coupling in 2H-TaSe2-xSx (0≤x≤2) as evidenced by Raman spectroscopy |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Physical review materials |
Abbreviated Journal |
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Volume |
8 |
Issue |
2 |
Pages |
024004-24008 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The vibrational properties of 2H-TaSe<sub>2-x</sub>S<sub>x</sub> (0≤x≤2) single crystals were probed using Raman spectroscopy and density functional theory calculations. The end members revealed two out of four symmetry-predicted Raman active modes, together with the pronounced two-phonon structure, attributable to the enhanced electron-phonon coupling. Additional peaks become observable due to crystallographic disorder for the doped samples. The evolution of the E<sub>2</sub>g<sup>2</sup> mode Fano parameter reveals that the disorder has a weak impact on electron-phonon coupling, which is also supported by the persistence of two-phonon structure in doped samples. As such, this research provides thorough insights into the lattice properties, the effects of crystallographic disorder on Raman spectra, and the interplay of this disorder with the electron-phonon coupling in 2H-TaSe<sub>2-x</sub>S<sub>x</sub> compounds. |
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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 |
001171649400004 |
Publication Date |
2024-02-21 |
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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 |
2475-9953 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.4 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.4; 2024 IF: NA |
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Call Number |
UA @ admin @ c:irua:204404 |
Serial |
9141 |
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Permanent link to this record |
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Author |
Jorissen, B.; Covaci, L.; Partoens, B. |
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Title |
Comparative analysis of tight-binding models for transition metal dichalcogenides |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
SciPost physics core |
Abbreviated Journal |
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Volume |
7 |
Issue |
1 |
Pages |
004-30 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
We provide a comprehensive analysis of the prominent tight-binding (TB) models for transition metal dichalcogenides (TMDs) available in the literature. We inspect the construction of these TB models, discuss their parameterization used and conduct a thorough comparison of their effectiveness in capturing important electronic properties. Based on these insights, we propose a novel TB model for TMDs designed for enhanced computational efficiency. Utilizing MoS2 as a representative case, we explain why specific models offer a more accurate description. Our primary aim is to assist researchers in choosing the most appropriate TB model for their calculations on 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 |
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Wos |
001170769300001 |
Publication Date |
2024-02-06 |
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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 |
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ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:202983 |
Serial |
9012 |
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Permanent link to this record |
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Author |
Coulombier, M.; Baral, P.; Orekhov, A.; Dohmen, R.; Raskin, J.P.; Pardoen, T.; Cordier, P.; Idrissi, H. |
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Title |
On-chip very low strain rate rheology of amorphous olivine films |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Acta materialia |
Abbreviated Journal |
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Volume |
266 |
Issue |
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Pages |
119693-12 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Recent observations made by the authors revealed the activation of stress induced amorphization and sliding at grain boundary in olivine [1], a mechanism which is expected to play a pivotal role in the viscosity drop at the lithosphere-asthenosphere boundary and the brittle -ductile transition in the lithospheric mantle. However, there is a lack of information in the literature regarding the intrinsic mechanical properties and the elementary deformation mechanisms of this material, especially at time scales relevant for geodynamics. In the present work, amorphous olivine films were obtained by pulsed laser deposition (PLD). The mechanical response including the rate dependent behavior are investigated using a tension -on -chip (TOC) method developed at UCLouvain allowing to perform creep/relaxation tests on thin films at extremely low strain rates. In the present work, strain rate down to 10-12 s- 1 was reached which is unique. High strain rate sensitivity of 0.054 is observed together with the activation of relaxation at the very early stage of deformation. Furthermore, digital image correlation (DIC), used for the first time on films deformed by TOC, reveals local strain heterogeneities. The relationship between such heterogeneities, the high strain rate sensitivity and the effect of the electron beam in the scanning electron microscope is discussed and compared to the literature. |
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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 |
001170513400001 |
Publication Date |
2024-01-17 |
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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 |
1359-6454 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
9.4 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 9.4; 2024 IF: 5.301 |
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Call Number |
UA @ admin @ c:irua:204864 |
Serial |
9163 |
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Permanent link to this record |
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Author |
Poppe, R.; Roth, N.; Neder, R.B.; Palatinus, L.; Iversen, B.B.; Hadermann, J. |
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Title |
Refining short-range order parameters from the three-dimensional diffuse scattering in single-crystal electron diffraction data |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
IUCrJ |
Abbreviated Journal |
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Volume |
11 |
Issue |
1 |
Pages |
82-91 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Our study compares short-range order parameters refined from the diffuse scattering in single-crystal X-ray and single-crystal electron diffraction data. Nb0.84CoSb was chosen as a reference material. The correlations between neighbouring vacancies and the displacements of Sb and Co atoms were refined from the diffuse scattering using a Monte Carlo refinement in DISCUS. The difference between the Sb and Co displacements refined from the diffuse scattering and the Sb and Co displacements refined from the Bragg reflections in single-crystal X-ray diffraction data is 0.012 (7) angstrom for the refinement on diffuse scattering in single-crystal X-ray diffraction data and 0.03 (2) angstrom for the refinement on the diffuse scattering in single-crystal electron diffraction data. As electron diffraction requires much smaller crystals than X-ray diffraction, this opens up the possibility of refining short-range order parameters in many technologically relevant materials for which no crystals large enough for single-crystal X-ray diffraction are available. |
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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 |
001168018300012 |
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 |
2052-2525 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.9 |
Times cited |
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Open Access |
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Notes |
|
Approved |
Most recent IF: 3.9; 2024 IF: 5.793 |
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Call Number |
UA @ admin @ c:irua:205513 |
Serial |
9170 |
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Permanent link to this record |
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Author |
Minja, A.C.; Ag, K.R.; Raes, A.; Borah, R.; Verbruggen, S.W. |
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Title |
Recent progress in developing non-noble metal-based photocathodes for solar green hydrogen production |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Current Opinion in Chemical Engineering |
Abbreviated Journal |
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Volume |
43 |
Issue |
|
Pages |
101000 |
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Keywords |
A1 Journal article; Engineering sciences. Technology |
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Abstract |
Photocathodes play a vital role in photoelectrocatalytic water splitting by acting as catalysts for reducing protons to hydrogen gas when exposed to light. Recent advancements in photocathodes have focused on addressing the limitations of noble metal-based materials. These noble metal-based photocathodes rely on expensive and scarce metals such as platinum and gold as cocatalysts or ohmic back contacts, respectively, rendering the final system less sustainable and costly when applied at scale. This mini-review summarizes the important recent progress in the development of non-noble metal-based photocathodes and their performance in the hydrogen evolution reaction during photoelectrochemical (PEC) water splitting. These advancements bring non-noble metal-based photocathodes closer to their noble metal-based counterparts in terms of performance, thereby paving the way forward toward industrial-scale photoelectrolyzers or PEC cells for green hydrogen production. |
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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 |
001166826200001 |
Publication Date |
2024-01-20 |
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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 |
2211-3398 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
6.6 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 6.6; 2024 IF: 3.403 |
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Call Number |
UA @ admin @ c:irua:202625 |
Serial |
9080 |
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Permanent link to this record |
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Author |
O'Modhrain, C.; Trenchev, G.; Gorbanev, Y.; Bogaerts, A. |
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Title |
Upscaling plasma-based CO₂ conversion : case study of a multi-reactor gliding arc plasmatron |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
ACS Engineering Au |
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; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Atmospheric pressure plasmas have shifted in recent years from being a burgeoning research field in the academic setting to an actively investigated technology in the chemical, oil, and environmental industries. This is largely driven by the climate change mitigation efforts, as well as the evident pathways of value creation by converting greenhouse gases (such as CO2) into useful chemical feedstock. Currently, most high technology readiness level (TRL) plasma-based technologies are based on volumetric and power-based scaling of thermal plasma systems, which results in large capital investment and regular maintenance costs. This work investigates bringing a quasi-thermal (so-called “warm”) plasma setup, namely, a gliding arc plasmatron, from a lab-scale to a pilot-scale capacity with an increase in throughput capacity by a factor of 10. The method of scaling is the parallelization of plasmatron reactors within a single housing, with the aim of maintaining a warm plasma regime while simultaneously improving build cost and efficiency (compared to separate reactors operating in parallel). Special attention is also given to the safety and control features implemented in the setup, a key component required for integration into industrial systems. The performance of the multi-reactor gliding arc plasmatron (MRGAP) reactor is investigated, focusing on the influence of flow rate and the number of active reactors. The location of active reactors was deemed to have a negligible effect on the monitored metrics of conversion, energy efficiency, and energy cost. The optimum operating conditions were found to be with the most active reactors (five) at the highest investigated flow rate (80 L/min). Analysis of results suggests that an optimum conversion (9%) and plug power-based energy efficiency (19%) can be maintained at a specific energy input (SEI) around 5.3 kJ/L (or 1 eV/molecule). The concept of parallelization of plasmatron reactors within a singular housing was demonstrated to be a viable method for scaling up from a lab-scale to a prototype-scale device, with performance analysis suggesting that increasing the power (through adding more reactor channels) and total flow rate, while maintaining an SEI around 5.3 or 4.2 kJ/L, i.e., 1.3 or 1 eV/molecule (based on plug power and plasma-deposited power, respectively), can result in increased conversion rate without sacrificing absolute conversion or energy efficiency. |
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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 |
001166625200001 |
Publication Date |
2024-02-14 |
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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 |
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ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:204749 |
Serial |
9182 |
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Permanent link to this record |
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Author |
Pastorelli, G.; Miranda, A.S.O.; Avranovich Clerici, E.; d'Imporzano, P.; Hansen, B.V.; Janssens, K.; Davies, G.R.; Borring, N. |
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Title |
Darkening of lead white in old master drawings and historic prints : a multi-analytical investigation |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Microchemical journal |
Abbreviated Journal |
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Volume |
199 |
Issue |
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Pages |
109912-10 |
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Keywords |
A1 Journal article; Antwerp X-ray Imaging and Spectroscopy (AXIS) |
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Abstract |
Old master drawings and historic prints often feature white highlights, which are typically painted using lead white, one of the most widely used historical white pigments. However, it has been observed that many of these highlights discolour over time, becoming dark brown or black due to unclear degradation processes. This phenomenon not only misrepresents the original artefacts, threatening their suitability for public display, but also diminishes their longevity. To ensure their preservation, it is essential to determine why some lead white highlights in these museum objects retain their light tones while others are prone to darkening. The objective of this study was to identify the relationships between the composition, provenance, and production methods of lead white pigments, and their role in the discolouration observed on drawings, lithographs and early photographs. Selected samples and artefacts were examined using a range of analytical techniques, namely X-ray fluorescence spectroscopy (XRF), X-ray powder diffraction (XRPD), and lead isotope analysis. While XRF analyses confirmed the presence of lead as the primary element in the majority of the highlights, XRPD measurements identified a variety of lead compounds such as the carbonates cerussite and hydrocerussite alongside galena-a black crystalline sulfide-and lead sulfates. Additionally, isotope analyses classified the lead raw materials into five main groups. Through these measurements, the examined lead white pigments were categorised based on their compositional properties in relation to the raw materials used, as well as their geographical and temporal origin. A significant finding is that lead white pigments from different production periods, spanning from older to more modern, may be characterised by varying proneness to discolouration irrespective of their provenance. |
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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 |
001166502200001 |
Publication Date |
2024-01-03 |
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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 |
0026-265x; 0026-265x |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
4.8 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 4.8; 2024 IF: 3.034 |
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Call Number |
UA @ admin @ c:irua:205450 |
Serial |
9197 |
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Permanent link to this record |
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Author |
Joy, R.M.; Pobedinskas, P.; Bourgeois, E.; Chakraborty, T.; Goerlitz, J.; Herrmann, D.; Noel, C.; Heupel, J.; Jannis, D.; Gauquelin, N.; D'Haen, J.; Verbeeck, J.; Popov, C.; Houssiau, L.; Becher, C.; Nesladek, M.; Haenen, K. |
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Title |
Photoluminescence of germanium-vacancy centers in nanocrystalline diamond films : implications for quantum sensing applications |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
ACS applied nano materials |
Abbreviated Journal |
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Volume |
7 |
Issue |
4 |
Pages |
3873-3884 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Point defects in diamond, promising candidates for nanoscale pressure- and temperature-sensing applications, are potentially scalable in polycrystalline diamond fabricated using the microwave plasma-enhanced chemical vapor deposition (MW PE CVD) technique. However, this approach introduces residual stress in the diamond films, leading to variations in the characteristic zero phonon line (ZPL) of the point defect in diamond. Here, we report the effect of residual stress on germanium-vacancy (GeV) centers in MW PE CVD nanocrystalline diamond (NCD) films fabricated using single crystal Ge as the substrate and solid dopant source. GeV ensemble formation indicated by the zero phonon line (ZPL) at similar to 602 nm is confirmed by room temperature (RT) photoluminescence (PL) measurements. PL mapping results show spatial nonuniformity in GeV formation along with other defects, including silicon-vacancy centers in the diamond films. The residual stress in NCD results in shifts in the PL peak positions. By estimating a stress shift coefficient of (2.9 +/- 0.9) nm/GPa, the GeV PL peak position in the NCD film is determined to be between 598.7 and 603.2 nm. A larger ground state splitting due to the strain on a GeV-incorporated NCD pillar at a low temperature (10 K) is also reported. We also report the observation of intense ZPLs at RT that in some cases could be related to low Ge concentration and the surrounding crystalline environment. In addition, we also observe thicker microcrystalline diamond (MCD) films delaminate from the Ge substrate due to film residual stress and graphitic phase at the diamond/Ge substrate interface (confirmed by electron energy loss spectroscopy). Using this approach, a free-standing color center incorporated MCD film with dimensions up to 1 x 1 cm(2) is fabricated. Qualitative analysis using time-of-flight secondary ion mass spectroscopy reveals the presence of impurities, including Ge and silicon, in the MCD film. Our experimental results will provide insights into the scalability of GeV fabrication using the MW PE CVD technique and effectively implement NCD-based nanoscale-sensing applications. |
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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 |
001164609600001 |
Publication Date |
2024-02-15 |
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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 |
2574-0970 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
5.9 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 5.9; 2024 IF: NA |
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Call Number |
UA @ admin @ c:irua:204826 |
Serial |
9164 |
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Permanent link to this record |
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Author |
Vermeulen, B.B.; Raymenants, E.; Pham, V.T.; Pizzini, S.; Sorée, B.; Wostyn, K.; Couet, S.; Nguyen, V.D.; Temst, K. |
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Title |
Towards fully electrically controlled domain-wall logic |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
AIP advances |
Abbreviated Journal |
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Volume |
14 |
Issue |
2 |
Pages |
025030-25035 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Utilizing magnetic tunnel junctions (MTJs) for write/read and fast spin-orbit-torque (SOT)-driven domain-wall (DW) motion for propagation, enables non-volatile logic and majority operations, representing a breakthrough in the implementation of nanoscale DW logic devices. Recently, current-driven DW logic gates have been demonstrated via magnetic imaging, where the Dzyaloshinskii-Moriya interaction (DMI) induces chiral coupling between perpendicular magnetic anisotropy (PMA) regions via an in-plane (IP) oriented region. However, full electrical operation of nanoscale DW logic requires electrical write/read operations and a method to pattern PMA and IP regions compatible with the fabrication of PMA MTJs. Here, we study the use of a Hybrid Free Layer (HFL) concept to combine an MTJ stack with DW motion materials, and He+ ion irradiation to convert the stack from PMA to IP. First, we investigate the free layer thickness dependence of 100-nm diameter HFL-MTJ devices and find an optimal CoFeB thickness, from 7 to 10 angstrom, providing high tunneling magnetoresistance (TMR) readout and efficient spin-transfer torque (STT) writing. We then show that high DMI materials, like Pt/Co, can be integrated into an MTJ stack via interlayer exchange coupling with the CoFeB free layer. In this design, DMI values suitable for SOT-driven DW motion are measured by asymmetric bubble expansion. Finally, we demonstrate that He+ irradiation reliably converts the coupled free layers from PMA to IP. These findings offer a path toward the integration of fully electrically controlled DW logic circuits. |
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Wos |
001163573400005 |
Publication Date |
2024-02-16 |
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ISSN |
2158-3226 |
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UA library record; WoS full record |
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Not_Open_Access |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:203823 |
Serial |
9109 |
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Author |
Wang, G.; Xie, C.; Wang, H.; Li, Q.; Xia, F.; Zeng, W.; Peng, H.; Van Tendeloo, G.; Tan, G.; Tian, J.; Wu, J. |
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Title |
Mitigated oxygen loss in lithium-rich manganese-based cathode enabled by strong Zr-O affinity |
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A1 Journal article |
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2024 |
Publication |
Advanced functional materials |
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2313672 |
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A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Oxygen loss is a serious problem of lithium-rich layered oxide (LLO) cathodes, as the high capacity of LLO relies on reversible oxygen redox. Oxygen release can occur at the surface leading to the formation of spinel or rock salt structures. Also, the lattice oxygen will usually become unstable after long cycling, which remains a major roadblock in the application of LLO. Here, it is shown that Zr doping is an effective strategy to retain lattice oxygen in LLO due to the high affinity between Zr and O. A simple sol-gel method is used to dope Zr4+ into the LLOs to adjust the local electronic structure and inhibit the diffusion of oxygen anions to the surface during cycling. Compared with untreated LLOs, LLO-Zr cathodes exhibit a higher cycling stability, with 94% capacity retention after 100 cycles at 0.4 C, up to 223 mAh g-1 at 1 C, and 88% capacity retention after 300 cycles. Theoretical calculations show that due to the strong Zr-O covalent bonding, the formation energy of oxygen vacancies has effectively increased and the loss of lattice oxygen under high voltage can be suppressed. This study provides a simple method for developing high-capacity and cyclability Li-rich cathode materials for lithium-ion batteries. Oxygen release can occur at the cathode surface leading to the formation of spinel or rock salt structures. Here, it is shown that Zr doping is an effective strategy to retain lattice oxygen in lithium-rich layered oxides (LLO) due to the high affinity between Zr and O. LLO-Zr exhibit higher cycling stability, with 88% capacity retention after 300 cycles at 1 C. image |
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001159843800001 |
Publication Date |
2024-02-10 |
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ISSN |
1616-301x |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
19 |
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Most recent IF: 19; 2024 IF: 12.124 |
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Call Number |
UA @ admin @ c:irua:203812 |
Serial |
9161 |
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