Records |
Author |
Devolder, T.; Bultynck, O.; Bouquin, P.; Nguyen, V.D.; Rao, S.; Wan, D.; Sorée, B.; Radu, I.P.; Kar, G.S.; Couet, S. |
Title |
Back hopping in spin transfer torque switching of perpendicularly magnetized tunnel junctions |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
Volume |
102 |
Issue |
18 |
Pages |
184406 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We analyze the phenomenon of back hopping in spin-torque induced switching of the magnetization in perpendicularly magnetized tunnel junctions. The analysis is based on single-shot time-resolved conductance measurements of the pulse-induced back hopping. Studying several material variants reveals that the back hopping is a feature of the nominally fixed system of the tunnel junction. The back hopping is found to proceed by two sequential switching events that lead to a final state P' of conductance close to-but distinct from-that of the conventional parallel state. The P' state does not exist at remanence. It generally relaxes to the conventional antiparallel state if the current is removed. The P' state involves a switching of the sole spin-polarizing part of the fixed layers. The analysis of literature indicates that back hopping occurs only when the spin-polarizing layer is too weakly coupled to the rest of the fixed system, which justifies a posteriori the mitigation strategies of back hopping that were implemented empirically in spin-transfer-torque magnetic random access memories. |
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Thesis |
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Place of Publication |
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Language |
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Wos |
000587594900005 |
Publication Date |
2020-11-09 |
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 |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.7 |
Times cited |
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Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
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Notes |
; This work was supported in part by the IMEC's Industrial Affiliation Program on STT-MRAM device, and in part by the imec IIAP core CMOS and the Beyond CMOS program of Intel Corporation. T. D. and P. B. thank Jonathan Z. Sun for constructive discussions on the BH phenomenon. ; |
Approved |
Most recent IF: 3.7; 2020 IF: 3.836 |
Call Number |
UA @ admin @ c:irua:173524 |
Serial |
6458 |
Permanent link to this record |
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Author |
Chaves, A.; Azadani, J.G.; Alsalman, H.; da Costa, D.R.; Frisenda, R.; Chaves, A.J.; Song, S.H.; Kim, Y.D.; He, D.; Zhou, J.; Castellanos-Gomez, A.; Peeters, F.M.; Liu, Z.; Hinkle, C.L.; Oh, S.-H.; Ye, P.D.; Koester, S.J.; Lee, Y.H.; Avouris, P.; Wang, X.; Low, T. |
Title |
Bandgap engineering of two-dimensional semiconductor materials |
Type |
A1 Journal article |
Year |
2020 |
Publication |
npj 2D Materials and Applications |
Abbreviated Journal |
|
Volume |
4 |
Issue |
1 |
Pages |
29-21 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
Semiconductors are the basis of many vital technologies such as electronics, computing, communications, optoelectronics, and sensing. Modern semiconductor technology can trace its origins to the invention of the point contact transistor in 1947. This demonstration paved the way for the development of discrete and integrated semiconductor devices and circuits that has helped to build a modern society where semiconductors are ubiquitous components of everyday life. A key property that determines the semiconductor electrical and optical properties is the bandgap. Beyond graphene, recently discovered two-dimensional (2D) materials possess semiconducting bandgaps ranging from the terahertz and mid-infrared in bilayer graphene and black phosphorus, visible in transition metal dichalcogenides, to the ultraviolet in hexagonal boron nitride. In particular, these 2D materials were demonstrated to exhibit highly tunable bandgaps, achieved via the control of layers number, heterostructuring, strain engineering, chemical doping, alloying, intercalation, substrate engineering, as well as an external electric field. We provide a review of the basic physical principles of these various techniques on the engineering of quasi-particle and optical bandgaps, their bandgap tunability, potentials and limitations in practical realization in future 2D device technologies. |
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Wos |
000565588500001 |
Publication Date |
2020-08-24 |
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 |
2397-7132 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
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Times cited |
604 |
Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
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Notes |
; Discussions and interactions with D.R. Reichman, F. Tavazza, N.M.R. Peres, and K. Choudhary are gratefully acknowledged. A.C. acknowledges financial support by CNPq, through the PRONEX/FUNCAP and PQ programs. This project has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program (grant agreement No. 755655, ERCStG 2017 project 2D-TOPSENSE). Computational support from the Minnesota Supercomputing Institute (MSI) and EU Graphene Flagship funding (Grant Graphene Core 2, 785219) is acknowledged. R.F. acknowledges support from the Netherlands Organization for Scientific Research (NWO) through the research program Rubicon with project number 680-50-1515. D.H., J.Z., and X.W. acknowledge support by National Natural Science Foundation of China 61734003, 61521001, 61704073, 51861145202, and 61851401, and National Key Basic Research Program of China 2015CB921600 and 2018YFB2200500. J.Z. and Z.L. acknowledge support by RG7/18, MOE2017-T2-2-136, MOE2018-T3-1-002, and A*Star QTE program. S.H.S. and Y.H.L. acknowledge the support from IBS-R011-D1. Y.D.K. is supported by Samsung Research and Incubation Funding Center of Samsung Electronics under Project Number SRFC-TB1803-04. S.J.K acknowledges financial support by the National Science Foundation (NSF), under award DMR-1921629. T.L. and J.G.A. acknowledge funding support from NSF/DMREF under Grant Agreement No. 1921629. S.-H.O. acknowledges support from the U.S. National Science Foundation (NSF ECCS 1809723) and Samsung Global Research Outreach (GRO) project. ; |
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:172069 |
Serial |
6459 |
Permanent link to this record |
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Author |
De Paepe, J.; De Paepe, K.; Gòdia, F.; Rabaey, K.; Vlaeminck, S.E.; Clauwaert, P. |
Title |
Bio-electrochemical COD removal for energy-efficient, maximum and robust nitrogen recovery from urine through membrane aerated nitrification |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Water Research |
Abbreviated Journal |
Water Res |
Volume |
185 |
Issue |
|
Pages |
116223 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
Resource recovery from source-separated urine can shorten nutrient cycles on Earth and is essential in regenerative life support systems for deep-space exploration. In this study, a robust two-stage, energy-efficient, gravity-independent urine treatment system was developed to transform fresh real human urine into a stable nutrient solution. In the first stage, up to 85% of the COD was removed in a microbial electrolysis cell (MEC), converting part of the energy in organic compounds (27-46%) into hydrogen gas and enabling full nitrogen recovery by preventing nitrogen losses through denitrification in the second stage. Besides COD removal, all urea was hydrolysed in the MEC, resulting in a stream rich in ammoniacal nitrogen and alkalinity, and low in COD. This stream was fed into a membrane-aerated biofilm reactor (MABR) in order to convert the volatile and toxic ammoniacal nitrogen to non-volatile nitrate by nitrification. Bio-electrochemical pre-treatment allowed to recover all nitrogen as nitrate in the MABR at a bulk-phase dissolved oxygen level below 0.1 mg O2 L-1. In contrast, feeding the MABR directly with raw urine (omitting the first stage), at the same nitrogen loading rate, resulted in nitrogen loss (18%) due to denitrification. The MEC and MABR were characterised by very distinct and diverse microbial communities. While (strictly) anaerobic genera, such as Geobacter (electroactive bacteria), Thiopseudomonas, a Lentimicrobiaceae member, Alcaligenes and Proteiniphilum prevailed in the MEC, the MABR was dominated by aerobic genera, including Nitrosomonas (a known ammonium oxidiser), Moheibacter and Gordonia. The two-stage approach yielded a stable nitrate-rich, COD-low nutrient solution, suitable for plant and microalgae cultivation. |
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Place of Publication |
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Language |
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Wos |
000580639800035 |
Publication Date |
2020-07-23 |
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 |
0043-1354 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
12.8 |
Times cited |
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Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
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Notes |
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Approved |
Most recent IF: 12.8; 2020 IF: 6.942 |
Call Number |
UA @ admin @ c:irua:170524 |
Serial |
6461 |
Permanent link to this record |
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Author |
Rutten, I.; Daems, D.; Lammertyn, J. |
Title |
Boosting biomolecular interactions through DNA origami nano-tailored biosensing interfaces |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Journal Of Materials Chemistry B |
Abbreviated Journal |
J Mater Chem B |
Volume |
8 |
Issue |
16 |
Pages |
3606-3615 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
The interaction between a bioreceptor and its target is key in developing sensitive, specific and robust diagnostic devices. Suboptimal interbioreceptor distances and bioreceptor orientation on the sensor surface, resulting from uncontrolled deposition, impede biomolecular interactions and lead to a decreased biosensor performance. In this work, we studied and implemented a 3D DNA origami design, for the first time comprised of assay specifically tailored anchoring points for the nanostructuring of the bioreceptor layer on the surface of disc-shaped microparticles in the continuous microfluidic environment of the innovative EvalutionTM platform. This bioreceptor immobilization strategy resulted in the formation of a less densely packed surface with reduced steric hindrance and favoured upward orientation. This increased bioreceptor accessibility led to a 4-fold enhanced binding kinetics and a 6-fold increase in binding efficiency compared to a directly immobilized non-DNA origami reference system. Moreover, the DNA origami nanotailored biosensing concept outperformed traditional aptamer coupling with respect to limit of detection (11 × improved) and signal-to-noise ratio (2.5 × improved) in an aptamer-based sandwich bioassay. In conclusion, our results highlight the potential of these DNA origami nanotailored surfaces to improve biomolecular interactions at the sensing surface, thereby increasing the overall performance of biosensing devices. The combination of the intrinsic advantages of DNA origami together with a smart design enables bottom-up nanoscale engineering of the sensor surface, leading towards the next generation of improved diagnostic sensing devices. |
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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 |
000548186500032 |
Publication Date |
2020-01-09 |
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 |
2050-750x; 2050-7518 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
7 |
Times cited |
2 |
Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
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Notes |
; We gratefully acknowledge financial support from Fund for Scientific Research (FWO, FWO-Flanders Doctoral grant Iene Rutten 1S30016N and FWO-Flanders Postdoctoral Fellow Devin Daems 12U1618N). We kindly thank MyCartis for access to their EvalutionTM platform, microparticle supplies and technical support. We would also like to thank Steven De Feyter and Joan Teyssandier (Molecular imaging and Photonics, Department of Chemistry, KU Leuven, Belgium) for providing the AFM facilities and technical support. We thank Peter Vangheluwe (Laboratory of Cellular Transport Systems, Department of Cellular and Molecular Medicine, KU Leuven) for access to their gel imaging system, Typhoon FLA 9000. ; |
Approved |
Most recent IF: 7; 2020 IF: 4.543 |
Call Number |
UA @ admin @ c:irua:166104 |
Serial |
6462 |
Permanent link to this record |
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Author |
McNaughton, B.; Milošević, M.V.; Perali, A.; Pilati, S. |
Title |
Boosting Monte Carlo simulations of spin glasses using autoregressive neural networks |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Physical Review E |
Abbreviated Journal |
Phys Rev E |
Volume |
101 |
Issue |
5 |
Pages |
053312 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The autoregressive neural networks are emerging as a powerful computational tool to solve relevant problems in classical and quantum mechanics. One of their appealing functionalities is that, after they have learned a probability distribution from a dataset, they allow exact and efficient sampling of typical system configurations. Here we employ a neural autoregressive distribution estimator (NADE) to boost Markov chain Monte Carlo (MCMC) simulations of a paradigmatic classical model of spin-glass theory, namely, the two-dimensional Edwards-Anderson Hamiltonian. We show that a NADE can be trained to accurately mimic the Boltzmann distribution using unsupervised learning from system configurations generated using standard MCMC algorithms. The trained NADE is then employed as smart proposal distribution for the Metropolis-Hastings algorithm. This allows us to perform efficient MCMC simulations, which provide unbiased results even if the expectation value corresponding to the probability distribution learned by the NADE is not exact. Notably, we implement a sequential tempering procedure, whereby a NADE trained at a higher temperature is iteratively employed as proposal distribution in a MCMC simulation run at a slightly lower temperature. This allows one to efficiently simulate the spin-glass model even in the low-temperature regime, avoiding the divergent correlation times that plague MCMC simulations driven by local-update algorithms. Furthermore, we show that the NADE-driven simulations quickly sample ground-state configurations, paving the way to their future utilization to tackle binary optimization problems. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Language |
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Wos |
000535862000014 |
Publication Date |
2020-05-28 |
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 |
1539-3755; 1550-2376 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.366 |
Times cited |
15 |
Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
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Notes |
; The authors thank I. Murray, G. Carleo, and F. RicciTersenghi for useful discussions. Financial support from the FAR2018 project titled “Supervised machine learning for quantum matter and computational docking” of the University of Camerino and from the Italian MIUR under Project No. PRIN2017 CEnTraL 20172H2SC4 is gratefully acknowledged. S.P. also acknowledges the CINECA award under the ISCRA initiative, for the availability of high performance computing resources and support. M.V.M. gratefully acknowledges the Visiting Professorship program at the University of Camerino that facilitated the collaboration in this work. ; |
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:170244 |
Serial |
6463 |
Permanent link to this record |
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Author |
Geerts, R.; Vandermoere, F.; Van Winckel, T.; Halet, D.; Joos, P.; Van Den Steen, K.; Van Meenen, E.; Blust, R.; Borregán-Ochando, E.; Vlaeminck, S.E. |
Title |
Bottle or tap? Toward an integrated approach to water type consumption |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Water Research |
Abbreviated Journal |
Water Res |
Volume |
173 |
Issue |
|
Pages |
115578-10 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Centre for Research on Environmental and Social Change |
Abstract |
While in many countries, people have access to cheap and safe potable tap water, the global consumption of bottled water is rising. Flanders, Belgium, where this study is located, has an exceptionally high consumption of bottled water per capita. However, in the interest of resource efficiency and global environmental challenges, the consumption of tap water is preferable. To our knowledge, an integrated analysis of the main reasons why people consume tap and bottled water is absent in Flanders, Belgium. Using Flemish survey data (N = 2309), we first compared tap and bottled water consumers through bivariate correlation analysis. Subsequently, path modelling techniques were used to further investigate these correlations. Our results show that bottled water consumption in Flanders is widespread despite environmental and financial considerations. For a large part, this is caused by negative perceptions about tap water. Many consumers consider it unhealthy, unsafe and prefer the taste of bottled water. Furthermore, we found that the broader social context often inhibits the consumption of tap water. On the one hand, improper infrastructures (e.g. lead piping) can limit access to potable tap water. On the other hand, social norms exist that promote bottled water. Lastly, results suggest that the consumption of bottled water is most common among men, older people and less educated groups. We conclude that future research and policy measures will benefit from an approach that integrates all behavioural aspects associated with water type consumption. This will enable both governments and tap water companies to devise more effective policies to manage and support tap water supply networks. |
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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 |
000523569000012 |
Publication Date |
2020-01-31 |
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 |
0043-1354 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
12.8 |
Times cited |
2 |
Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
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Notes |
; This was supported by a grant from Water-link. ; |
Approved |
Most recent IF: 12.8; 2020 IF: 6.942 |
Call Number |
UA @ admin @ c:irua:165873 |
Serial |
6464 |
Permanent link to this record |
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Author |
Al-Emam, E.; Soenen, H.; Caen, J.; Janssens, K. |
Title |
Characterization of polyvinyl alcohol-borax/agarose (PVA-B/AG) double network hydrogel utilized for the cleaning of works of art |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Heritage science |
Abbreviated Journal |
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Volume |
8 |
Issue |
1 |
Pages |
106 |
Keywords |
A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES) |
Abstract |
Since cleaning of artworks may cause undesirable physicochemical alterations and is a nonreversible procedure, it is mandatory to adopt the proper cleaning procedure. Such a procedure should remove undesired materials whilst preserving the original surface. In this regard, numerous gels have been developed and exploited for the cleaning of various artwork surfaces. Lately, agarose (AG) and polyvinyl alcohol-borax (PVA-B) hydrogels have been widely employed as cleaning tools by conservators. Both hydrogels show some limitations in specific cleaning practices. In this work, we investigated the influence of including increased levels of agarose into PVA-B systems. For this reason, we performed a detailed characterization on the double network (DN) hydrogel including the chemical structure, the liquid phase retention, the rheological behavior, and the self-healing behavior of various PVA-B/AG double network hydrogels. These new hydrogels revealed better properties than PVA-B hydrogels and obviated their limitations. The inclusion of AG into PVA-B systems enhanced the liquid retention capacity, shape-stability, and mechanical strength of the blend. Furthermore, AG minimized the expelling/syneresis issue that occurs when loading PVA-B systems with low polarity solvents or chelating agents. The resultant double network hydrogel exhibits relevant self-healing properties. The PVA-B/AG double network is a new and useful cleaning tool that can be added to the conservators' tool-kit. It is ideal for cleaning procedures dealing with porous and complex structured surfaces, vertical surfaces and for long time applications. |
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Wos |
000580572500001 |
Publication Date |
2020-10-21 |
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 |
2050-7445 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.5 |
Times cited |
1 |
Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
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Notes |
; Ehab Al-Emam thanks the Egyptian Ministry of Higher Education for funding his Ph.D. scholarship in addition to being grateful to University of Antwerp for additional funding. ; |
Approved |
Most recent IF: 2.5; 2020 IF: NA |
Call Number |
UA @ admin @ c:irua:173594 |
Serial |
6466 |
Permanent link to this record |
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Author |
Byrnes, I.; Lind, O.C.; Hansen, E.L.; Janssens, K.; Salbu, B. |
Title |
Characterization of radioactive particles from the Dounreay nuclear reprocessing facility |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Science Of The Total Environment |
Abbreviated Journal |
Sci Total Environ |
Volume |
727 |
Issue |
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Pages |
138488-12 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Radioactive particles originating from nuclear fuel reprocessing at the United Kingdom Atomic Energy Authority's Dounreay Facility were inadvertently released to the environment in the late 1950s to 1970s and have subsequently been found on site grounds and local beaches. Previous assessments of risk associated with encountering a particle have been based on conservative assumptions related to particle composition and speciation. To reduce uncertainties associated with environmental impact assessments from Dounreay particles, further characterization is relevant. Results of particles available for this study showed variation between Dounreay Fast Reactor (DFR) and Materials Test Reactor (MTR) particles, reflecting differences in fuel design, release scenarios, and subsequent environmental influence. Analyses of DFR particles showed they are small (100-300 mu m) and contain spatially correlated U and Nb. Molybdenum, part of the DFR fuel, was identified at atomic concentrations below 1%. Based on SR-based micrometer-scale X-ray Absorption Near Edge Structure spectroscopy (mu-XANES), U may be present as U (IV), and, based on a measured Nb/U atom ratio of similar to 2, stoichiometric considerations are commensurable with the presence of UNb2O7. The MTR particles were larger (740-2000 mu m) and contained U and Al inhomogeneously distributed. Neodymium (Nd) was identified in atomic concentrations of around 1-2%, suggesting it was part of the fuel design. The presence of U(IV) in MTR particles, as indicated by mu-XANES analysis, may be related to oxidation of particle surfaces, as could be expected due to corrosion of UAlx fuel particles in air. High U-235/U-238 atom ratios in individual DFR (3.2 +/- 0.8) and MTR (2.6 +/- 0.4) particles reflected the presence of highly enriched uranium. The DFR particles featured lower Cs-137 activity levels (2.00-9.58 kBq/particle) than the MTR (43.2-641 kBq Cs-137/particle) particles. The activities of the dose contributing radionuclides Sr-90/Y-90 were proportional to Cs-137 (Sr-90/Cs-137 activity ratio approximate to 0.8) and particle activities were roughly proportional to the size. Based on direct beta measurements, gamma spectrometry, and the VARSKIN6 model, contact dose rates were calculated to be approximately 74 mGy/h for the highest activity MTR particle, in agreement with previously published estimates. (C) 2020 The Authors. Published by Elsevier B.V. |
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Place of Publication |
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Wos |
000537414400014 |
Publication Date |
2020-04-07 |
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 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.8 |
Times cited |
1 |
Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
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Notes |
; This study has been funded by the Research Council of Norway through its Centre of Excellence (CoE) funding scheme (Project No. 223268/F50). The authors are grateful to the Scottish Environmental Protection Agency for providing the samples examined in this study and Deutsches Elektronen-Synchrotron (DESY) for granting beamtime at HASYLAB BL. The authors would like to thank Prof. D.H. Oughton for fruitful discussions on dosimetry, Dr. K. Proost for assistance with micro-XANES measurements, Dr. T. Gavfert for assistance with calibration of the Canberra SPAB15 instrument, and Dr. E. Reinoso-Maset for support on the Bruker M4 Tornado mu-XRF. The authors also thank Karl Andreas Jensen for guidance and support on ICP-MS. Finally, the authors express gratitude to Dr. D. Hamby and the RAMP organization for providing access to the VARSKIN6 code. ; |
Approved |
Most recent IF: 9.8; 2020 IF: 4.9 |
Call Number |
UA @ admin @ c:irua:170154 |
Serial |
6467 |
Permanent link to this record |
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Author |
Vermeiren, V. |
Title |
Chemical kinetics modeling of non-equilibrium and thermal effects in vibrationally active CO2 plasmas |
Type |
Doctoral thesis |
Year |
2020 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
207 p. |
Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Additional Links |
UA library record |
Impact Factor |
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Times cited |
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Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
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Notes |
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Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:173385 |
Serial |
6468 |
Permanent link to this record |
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Author |
Wuyts, W.; Marin, J.; Brusselaers, J.; Vrancken, K. |
Title |
Circular economy as a COVID-19 cure? |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Resources Conservation And Recycling |
Abbreviated Journal |
Resour Conserv Recy |
Volume |
162 |
Issue |
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Pages |
105016-2 |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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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 |
000569614800012 |
Publication Date |
2020-06-17 |
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 |
|
ISSN |
0921-3449 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
13.2 |
Times cited |
3 |
Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
|
Notes |
; Part of this work was financially supported by the Research Foundation – Flanders (FWO), Belgium and the Ministry of Education, Culture, Sports, Science, and Technology (MEXT), Japan. We want to thank Lynne Stearman Falick and the editor for proofreading and providing comments on previous drafts. ; |
Approved |
Most recent IF: 13.2; 2020 IF: 3.313 |
Call Number |
UA @ admin @ c:irua:171912 |
Serial |
6469 |
Permanent link to this record |
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|
|
Author |
Mirzakhani, M.; Peeters, F.M.; Zarenia, M. |
Title |
Circular quantum dots in twisted bilayer graphene |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
Volume |
101 |
Issue |
7 |
Pages |
075413 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Within a tight-binding approach, we investigate the effect of twisting angle on the energy levels of circular bilayer graphene (BLG) quantum dots (QDs) in both the absence and presence of a perpendicular magnetic field. The QDs are defined by an infinite-mass potential, so that the specific edge effects are not present. In the absence of magnetic field (or when the magnetic length is larger than the moire length), we show that the low-energy states in twisted BLG QDs are completely affected by the formation of moire patterns, with a strong localization at AA-stacked regions. When magnetic field increases, the energy gap of an untwisted BLG QD closes with the edge states, localized at the boundaries between the AA- and AB-stacked spots in a twisted BLG QD. Our observation of the spatial localization of the electrons in twisted BLG QDs can be experimentally probed by low-bias scanning tunneling microscopy measurements. |
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 |
000512772200004 |
Publication Date |
2020-02-13 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.7 |
Times cited |
19 |
Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
|
Notes |
; We gratefully acknowledge discussions with I. Snyman. M.Z. acknowledges support from the U.S. Department of Energy (Office of Science) under Grant No. DE-FG0205ER46203. ; |
Approved |
Most recent IF: 3.7; 2020 IF: 3.836 |
Call Number |
UA @ admin @ c:irua:166493 |
Serial |
6470 |
Permanent link to this record |
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|
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Author |
Fret, J.; Roef, L.; Diels, L.; Tavernier, S.; Vyverman, W.; Michiels, M. |
Title |
Combining medium recirculation with alternating the microalga production strain : a laboratory and pilot scale cultivation test |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Algal Research-Biomass Biofuels And Bioproducts |
Abbreviated Journal |
Algal Res |
Volume |
46 |
Issue |
|
Pages |
101763 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) |
Abstract |
Reuse of growth medium after biomass harvesting is a cost-saving approach to improve the economic feasibility of algae mass cultivation. Algal exudates, cell debris and varying amounts of residual nutrients, impose challenges to the recycling of spent medium. In this study, the potential of combining reused medium from different algae species for growing monocultures of other algal strains was evaluated by making use of three successive cultivation setups with increasing volume; 400 mL in turbidostat mode, 2.6 L and 220 L in semi-continuous mode. Cultivation on replenished medium derived from Nannochloropsis sp. and Tisochrysis lutea, had no adverse effect on the productivity of either of the strains, regardless of whether they were grown in their own recycled medium or that of the other alga. Microfiltration of the reused medium proved to be sufficient to avoid cross-contamination. Moreover, a substantial average reduction in water footprint (77%) and nutrient cost (68% or 9 (sic).kg(-1) dry biomass) was achieved. Extension and validation of the medium recycling approach to other economically interesting algae species can contribute to improving the economic feasibility of large scale microalgae production systems. |
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 |
000512364900013 |
Publication Date |
2020-01-02 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
2211-9264 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.1 |
Times cited |
4 |
Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
|
Notes |
; This work was financially supported by the Agency for Innovation by Science and Technology, Flanders (IWT Baekeland mandatory Jorien Fret, project no. 100678). We thank Kayawe Valentine Mubiana from the Systemic Physiological and Ecotoxicological Research group, University of Antwerp, for the assistance in the analysis of the trace elements. ; |
Approved |
Most recent IF: 5.1; 2020 IF: 3.994 |
Call Number |
UA @ admin @ c:irua:167742 |
Serial |
6471 |
Permanent link to this record |
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Author |
Van Pottelberge, R. |
Title |
Comment on “Electron states for gapped pseudospin-1 fermions in the field of a charged impurity” |
Type |
Editorial |
Year |
2020 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
Volume |
101 |
Issue |
19 |
Pages |
197102-197103 |
Keywords |
Editorial; Condensed Matter Theory (CMT) |
Abstract |
In a recent paper [Phys. Rev. B 99, 155124 (2019)], the spectrum of a regularized Coulomb charge was studied in gapped pseudospin-1 systems generated by an alpha – T-3 lattice. The electronic spectrum was studied as a function of the impurity strength Z alpha. However, the results and conclusions on the behavior of the flatband states as a function of the impurity strength are incomplete. In this Comment, I argue that because of the dispersionless nature of the flatband, the states spread out under the influence of a charged impurity forming a continuous band of states. I support my arguments with explicit numerical calculations which show the emergence of a continuum of states. |
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 |
000533793600004 |
Publication Date |
2020-05-20 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.7 |
Times cited |
|
Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
|
Notes |
; I would like to acknowledge very insightful discussions with the authors of the commented paper (V. P. Gusynin, E. V. Gorbar, and D. O. Oriekhov). F. M. Peeters is acknowledged for interesting discussions and proofreading. This research was supported by the Flemish Science Foundation through an aspirant research grant for R.V.P. ; |
Approved |
Most recent IF: 3.7; 2020 IF: 3.836 |
Call Number |
UA @ admin @ c:irua:169476 |
Serial |
6472 |
Permanent link to this record |
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Author |
Cagno, S.; van der Snickt, G.; Legrand, S.; Caen, J.; Patin, M.; Meulebroeck, W.; Dirkx, Y.; Hillen, M.; Steenackers, G.; Rousaki, A.; Vandenabeele, P.; Janssens, K. |
Title |
Comparison of four mobile, non‐invasive diagnostic techniques for differentiating glass types in historical leaded windows : MA‐XRF , UV–Vis–NIR, Raman spectroscopy and IRT |
Type |
A1 Journal article |
Year |
2020 |
Publication |
X-Ray Spectrometry |
Abbreviated Journal |
X-Ray Spectrom |
Volume |
|
Issue |
|
Pages |
xrs.3185-17 |
Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES) |
Abstract |
This paper critically compares the performance of four non-invasive techniques that match the accuracy, flexibility, time-efficiency, and transportability required for in situ characterization of leaded glass windows: macroscopic X-ray fluorescence imaging (MA-XRF), UV-Vis-NIR, Raman spectroscopy, and infrared thermography (IRT). In order to compare the techniques on equal grounds, all techniques were tested independently of each other by separate research groups on the same historical leaded window tentatively dated to the 17th century, without prior knowledge. The aim was to assess the ability of these techniques to document the conservation history of the window by classifying and grouping the colorless glass panes, based on differences in composition. IRT, MA-XRF and UV-Vis-NIR spectroscopy positively distinguished at least two glass groups, with MA-XRF providing the most detailed chemical information. In particular, based on the ratio between the network modifier (K) and network stabilizer (Ca) and on the level of colorants and decolorizers (Fe, Mn, As), the number of plausible glass families could be strongly reduced. In addition, UV-Vis-NIR detected cobalt at ppm level and gave more specific information on the chromophore Fe2+/Fe(3+)ratio. Raman spectroscopy was hampered by fluorescence caused by the metal ions of the decolorizer in most of the panes, but nevertheless identified one group as HLLA. |
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 |
000561869600001 |
Publication Date |
2020-08-24 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
0049-8246 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.2 |
Times cited |
|
Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
|
Notes |
; Belgian Federal Science Policy Office, Grant/Award Number: BR/175/A3/FENESTRA; Fonds Wetenschappelijk Onderzoek, Grant/Award Number: 12X1919N; Baillet-Latour Fund ; |
Approved |
Most recent IF: 1.2; 2020 IF: 1.298 |
Call Number |
UA @ admin @ c:irua:170972 |
Serial |
6473 |
Permanent link to this record |
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Author |
Tian, F.; Wang, Y.; Sandhu, H.S.; Gielis, J.; Shi, P. |
Title |
Comparison of seed morphology of two ginkgo cultivars |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Journal Of Forestry Research |
Abbreviated Journal |
J Forestry Res |
Volume |
31 |
Issue |
3 |
Pages |
751-758 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
Ginkgo biloba L. is a precious relic tree species with important economic value. Seeds, as a vital reproductive organ of plants, can be used to distinguish cultivars of the species. We chose 400 seeds from two cultivars of ginkgo (Fozhi and Maling; 200 seeds for each cultivar) as the study material and used the Gielis equation to fit the projected shape of these seeds. The coefficients of variation (CV) in root mean squared errors (RMSE) obtained from the fitted data were used to compare the level of inter-cultivar variations in seed shape. We also used the covariance analysis to compare the allometric relationships between seed weights and projected areas of these two cultivars. The Gielis equation fitted well the seed shapes of two ginkgo cultivars. The lower CV in RMSE of cultivar Fozhi than Maling indicated a less symmetrical seed shape in the latter than the former. The bootstrap percentile method showed that the seed shape differences between the two cultivars were significant. However, there was no significant difference in the exponents between the seed weights and the projected areas of these two cultivars. Overall, the significant differences in shapes between the seeds of two ginkgo cultivars were well explained by the Gielis equation; this model can be further extended to compare morphological differences in other ginkgo cultivars, and even for plant seeds or animal eggs that have similar oval shapes. |
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 |
000529367600005 |
Publication Date |
2018-07-28 |
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 |
|
ISSN |
1007-662x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3 |
Times cited |
3 |
Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
|
Notes |
; ; |
Approved |
Most recent IF: 3; 2020 IF: 0.774 |
Call Number |
UA @ admin @ c:irua:154987 |
Serial |
6474 |
Permanent link to this record |
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Author |
Bafekry, A.; Stampfl, C.; Akgenc, B.; Ghergherehchi, M. |
Title |
Control of C3N4 and C4N3 carbon nitride nanosheets' electronic and magnetic properties through embedded atoms |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Physical Chemistry Chemical Physics |
Abbreviated Journal |
Phys Chem Chem Phys |
Volume |
22 |
Issue |
4 |
Pages |
2249-2261 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
In the present work, the effect of various embedded atom impurities on tuning electronic and magnetic properties of C3N4 and C4N3 nanosheets have been studied using first-principles calculations. Our calculations show that C3N4 is a semiconductor and it exhibits extraordinary electronic properties such as dilute-magnetic semiconductor (with H, F, Cl, Be, V, Fe and Co); metal (with N, P, Mg and Ca), half-metal (with Li, Na, K, Al, Sc, Cr, Mn, and Cu) and semiconductor (with O, S, B, C, Si, Ti, Ni and Zn) with the band gaps in the range of 0.3-2.0 eV depending on the species of embedded atom. The calculated electronic properties reveal that C4N3 is a half-metal and it retains half-metallic character with embedded H, O, S, F, B, N, P, Be, Mg, Al, Sc, V, Fe, Ni and Zn atoms. The substitution of Cl, C, Cr and Mn atoms create ferromagnetic-metal character in the C4N3 nanosheet, embedded Co and Cu atoms exhibit a dilute-magnetic semiconductor nature, and embedded Ti atoms result in the system becoming a semiconductor. Therefore, our results reveal the fact that the band gap and magnetism can be modified or induced by various atom impurities, thus, offering effective possibilities to tune the electronic and magnetic properties of C3N4 and C4N3 nanosheets. |
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 |
000510729400042 |
Publication Date |
2019-12-24 |
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 |
|
ISSN |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.3 |
Times cited |
18 |
Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
|
Notes |
; This work has supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). B. Akgenc acknowledges financial support the Kirklareli University-BAP under the Project No 189 and TUBITAK ULAKBIM, High Performance and Grid Computing Center. ; |
Approved |
Most recent IF: 3.3; 2020 IF: 4.123 |
Call Number |
UA @ admin @ c:irua:166553 |
Serial |
6476 |
Permanent link to this record |
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Author |
Moro, G.; Bottari, F.; Liberi, S.; Covaceuszach, S.; Cassetta, A.; Angelini, A.; De Wael, K.; Moretto, L.M. |
Title |
Covalent immobilization of delipidated human serum albumin on poly(pyrrole-2-carboxylic) acid film for the impedimetric detection of perfluorooctanoic acid |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Bioelectrochemistry |
Abbreviated Journal |
Bioelectrochemistry |
Volume |
134 |
Issue |
|
Pages |
107540 |
Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
The immobilization of biomolecules at screen printed electrodes for biosensing applications is still an open challenge. To enrich the toolbox of bioelectrochemists, graphite screen printed electrodes (G-SPE) were modified with an electropolymerized film of pyrrole-2-carboxilic acid (Py-2-COOH), a pyrrole derivative rich in carboxylic acid functional groups. These functionalities are suitable for the covalent immobilization of biomolecular recognition layers. The electropolymerization was first optimized to obtain stable and conductive polymeric films, comparing two different electrolytes: sodium dodecyl sulphate (SDS) and sodium perchlorate. The G-SPE modified with Py-2-COOH in 0.1 M SDS solution showed the required properties and were further tested. A proof-of-concept study for the development of an impedimetric sensor for perfluorooctanoic acid (PFOA) was carried out using the delipidated human serum albumin (hSA) as bioreceptor. The data interpretation was supported by size exclusion chromatography and small-angle X-ray scattering (SEC-SAXS) analysis of the bioreceptor-target complex and the preliminary results suggest the possibility to further develop this biosensing strategy for toxicological and analytical studies. |
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 |
000579727300004 |
Publication Date |
2020-04-27 |
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 |
|
ISSN |
1567-5394 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5 |
Times cited |
|
Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
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Notes |
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Approved |
Most recent IF: 5; 2020 IF: 3.346 |
Call Number |
UA @ admin @ c:irua:172494 |
Serial |
6477 |
Permanent link to this record |
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Author |
Vargas Paredes, A.A.; Shanenko, A.A.; Vagov, A.; Milošević, M.V.; Perali, A. |
Title |
Crossband versus intraband pairing in superconductors: signatures and consequences of the interplay |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
Volume |
101 |
Issue |
9 |
Pages |
094516-94517 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We analyze the paradigmatic competition between intraband and crossband Cooper-pair formation in twoband superconductors, neglected in most works to date. We derive the phase-sensitive gap equations and describe the crossover between the intraband-dominated and the crossband-dominated regimes, delimited by a “gapless” state. Experimental signatures of crosspairing comprise notable gap splitting in the excitation spectrum, non-BCS behavior of gaps versus temperature, as well as changes in the pairing symmetry as a function of temperature. The consequences of these findings are illustrated on the examples of MgB2 and Ba0.6K0.4Fe2As2. |
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 |
000522074900002 |
Publication Date |
2020-03-27 |
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 |
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.7 |
Times cited |
14 |
Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
|
Notes |
; This collaborative work was fostered within the international Multi Super network on Multi-condensate Superconductivity and Superfluidity [70]. The authors thank Andrea Guidini for his help during the initial stage of this work and Laura Fanfarillo for useful discussions. This work was partially supported by the Italian MIUR through the PRIN 2015 program (Contract No. 2015C5SEJJ001) and the Research Foundation -Flanders (FWO). A.A.V.-P. acknowledges support by the joint doctoral program and by the Erasmus+ exchange between the University of Antwerp and the University of Camerino. M.V.M. gratefully acknowledges support from a Visiting Professorship at the University of Camerino. A.S. and A.V. acknowledge support from the CAPES/Print Grant, Process No. 88887.333666/ 2019-00 (Brazil) and the Russian Science Foundation Project No. 18-12-00429, respectively. ; |
Approved |
Most recent IF: 3.7; 2020 IF: 3.836 |
Call Number |
UA @ admin @ c:irua:168605 |
Serial |
6479 |
Permanent link to this record |
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Author |
Nematollahi, P. |
Title |
Density functional theory calculations for understanding gas conversion reactions on single metal atom embedded carbon-based nanocatalysts |
Type |
Doctoral thesis |
Year |
2020 |
Publication |
|
Abbreviated Journal |
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Volume |
|
Issue |
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Pages |
173 p. |
Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
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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 |
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Publication Date |
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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 |
Impact Factor |
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Times cited |
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Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
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Notes |
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Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:169310 |
Serial |
6481 |
Permanent link to this record |
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Author |
Bafekry, A.; Stampfl, C.; Peeters, F.M. |
Title |
Dirac half-metallicity of thin PdCl₃ nanosheets : investigation of the effects of external fields, surface adsorption and defect engineering on the electronic and magnetic properties |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Scientific Reports |
Abbreviated Journal |
Sci Rep-Uk |
Volume |
10 |
Issue |
1 |
Pages |
213-215 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
PdCl3 belongs to a novel class of Dirac materials with Dirac spin-gapless semiconducting characteristics. In this paper based, on first-principles calculations, we have systematically investigated the effect of adatom adsorption, vacancy defects, electric field, strain, edge states and layer thickness on the electronic and magnetic properties of PdCl3 (palladium trichloride). Our results show that when spin-orbital coupling is included, PdCl3 exhibits the quantum anomalous Hall effect with a non-trivial band gap of 24 meV. With increasing number of layers, from monolayer to bulk, a transition occurs from a Dirac half-metal to a ferromagnetic metal. On application of a perpendicular electrical field to bilayer PdCl3, we find that the energy band gap decreases with increasing field. Uniaxial and biaxial strain, significantly modifies the electronic structure depending on the strain type and magnitude. Adsorption of adatom and topological defects have a dramatic effect on the electronic and magnetic properties of PdCl3. In particular, the structure can become a metal (Na), half-metal (Be, Ca, Al, Ti, V, Cr, Fe and Cu with, respective, 0.72, 9.71, 7.14, 6.90, 9.71, 4.33 and 9.5 μB magnetic moments), ferromagnetic-metal (Sc, Mn and Co with 4.55, 7.93 and 2.0 μB), spin-glass semiconductor (Mg, Ni with 3.30 and 8.63 μB), and dilute-magnetic semiconductor (Li, K and Zn with 9.0, 9.0 and 5.80 μB magnetic moment, respectively). Single Pd and double Pd + Cl vacancies in PdCl3 display dilute-magnetic semiconductor characteristics, while with a single Cl vacancy, the material becomes a half-metal. The calculated optical properties of PdCl3 suggest it could be a good candidate for microelectronic and optoelectronics devices. |
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 |
000562795700001 |
Publication Date |
2020-01-14 |
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 |
|
ISSN |
2045-2322 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.6 |
Times cited |
29 |
Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl). We are thankful for comments by Sevil Sarikurt from the department of physics in Dokuz Eylul University. In addition, we acknowledge OpenMX team for OpenMX code. ; |
Approved |
Most recent IF: 4.6; 2020 IF: 4.259 |
Call Number |
UA @ admin @ c:irua:169751 |
Serial |
6483 |
Permanent link to this record |
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Author |
Nematollahi, P.; Neyts, E.C. |
Title |
Direct oxidation of methane to methanol on Co embedded N-doped graphene: Comparing the role of N₂O and O₂ as oxidants |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Applied Catalysis A-General |
Abbreviated Journal |
Appl Catal A-Gen |
Volume |
602 |
Issue |
|
Pages |
117716-10 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In this work, the effects of N-doping into the Co-doped single vacancy (Co-SV-G) and di-vacancy graphene flake (Co-dV-G) are investigated and compared toward direct oxidation of methane to methanol (DOMM) employing two different oxidants (N2O and O-2) using density functional theory (DFT) calculation. We found that DOMM on CoN3-G utilizing the N2O molecule as oxygen-donor proceeds via a two-step reaction with low activation energies. In addition, we found that although CoN3-G might be a good catalyst for methane conversion, it can also catalyze the oxidation of methanol to CO2 and H2O due to the required low activation barriers. Moreover, the adsorption behaviors of CHx (x = 0-4) species and dehydrogenation of CHx (x = 1-4) species on CoN3-G are investigated. We concluded that CoN3-G can be used as an efficient catalyst for DOMM and N-2O reduction at ambient conditions which may serve as a guide for fabricating effective C/N catalysts in energy-related devices. |
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Corporate Author |
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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 |
000554006800046 |
Publication Date |
2020-06-27 |
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 |
|
ISSN |
0926-860x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.5 |
Times cited |
|
Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
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Notes |
; This work was performed with the financial support from the Doctoral Fund of the Antwerp University (NO. BOFLP33099). All the simulations are performed on resources provided by the high-performance computing center of Antwerp University. ; |
Approved |
Most recent IF: 5.5; 2020 IF: 4.339 |
Call Number |
UA @ admin @ c:irua:171219 |
Serial |
6485 |
Permanent link to this record |
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Author |
Geerlings, N.M.J.; Karman, C.; Trashin, S.; As, K.S.; Kienhuis, M.V.M.; Hidalgo-Martinez, S.; Vasquez-Cardenas, D.; Boschker, H.T.S.; De Wael, K.; Middelburg, J.J.; Polerecky, L.; Meysman, F.J.R. |
Title |
Division of labor and growth during electrical cooperation in multicellular cable bacteria |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Proceedings Of The National Academy Of Sciences Of The United States Of America |
Abbreviated Journal |
P Natl Acad Sci Usa |
Volume |
117 |
Issue |
10 |
Pages |
5478-5485 |
Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Multicellularity is a key evolutionary innovation, leading to coordinated activity and resource sharing among cells, which generally occurs via the physical exchange of chemical compounds. However, filamentous cable bacteria display a unique metabolism in which redox transformations in distant cells are coupled via long-distance electron transport rather than an exchange of chemicals. This challenges our understanding of organismal functioning, as the link among electron transfer, metabolism, energy conservation, and filament growth in cable bacteria remains enigmatic. Here, we show that cells within individual filaments of cable bacteria display a remarkable dichotomy in biosynthesis that coincides with redox zonation. Nanoscale secondary ion mass spectrometry combined with 13 C (bicarbonate and propionate) and 15 N-ammonia isotope labeling reveals that cells performing sulfide oxidation in deeper anoxic horizons have a high assimilation rate, whereas cells performing oxygen reduction in the oxic zone show very little or no label uptake. Accordingly, oxygen reduction appears to merely function as a mechanism to quickly dispense of electrons with little to no energy conservation, while biosynthesis and growth are restricted to sulfide-respiring cells. Still, cells can immediately switch roles when redox conditions change, and show no differentiation, which suggests that the “community service” performed by the cells in the oxic zone is only temporary. Overall, our data reveal a division of labor and electrical cooperation among cells that has not been seen previously in multicellular organisms. |
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Place of Publication |
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Language |
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Wos |
000519530400054 |
Publication Date |
2020-02-25 |
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 |
|
ISSN |
0027-8424; 1091-6490 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
11.1 |
Times cited |
6 |
Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
|
Notes |
; We thank Arnold van Dijk for helping with the GasBench isotope ratio mass spectrometry analysis. N.M.J.G. is the recipient of a Ph.D. scholarship for teachers from the Netherlands Organisation for Scientific Research (NWO) in the Netherlands (grant 023.005.049). K.S.A. received financial support from the Olaf Schuiling fund. F.J.R.M. was financially supported by the Research Foundation Flanders (FWO) via grant G043119N, and the Netherlands Organization for Scientific Research (VICI grant 016.VICI.170.072). J.J.M. was supported by the Ministry of Education via the Netherlands Earth System Science Centre. The NanoSIMS facility was partly supported by an NWO large infrastructure subsidy to J.J.M. (175.010.2009.011). ; |
Approved |
Most recent IF: 11.1; 2020 IF: 9.661 |
Call Number |
UA @ admin @ c:irua:166452 |
Serial |
6487 |
Permanent link to this record |
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Author |
Bottari, F.; Daems, E.; de Vries, A.-M.; Van Wielendaele, P.; Trashin, S.; Blust, R.; Sobott, F.; Madder, A.; Martins, J.C.; De Wael, K. |
Title |
Do aptamers always bind? The need for a multifaceted analytical approach when demonstrating binding affinity between aptamer and low molecular weight compounds |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Journal Of The American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
Volume |
142 |
Issue |
46 |
Pages |
jacs.0c08691-19630 |
Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Medical Biochemistry |
Abstract |
In this manuscript, we compare different analytical methodologies to validate or disprove the binding capabilities of aptamer sequences. This was prompted by the lack of a universally accepted and robust quality control protocol for the characterization of aptamer performances coupled with the observation of independent yet inconsistent data sets in the literature. As an example, we chose three aptamers with a reported affinity in the nanomolar range for ampicillin, a β-lactam antibiotic, used as biorecognition elements in several detection strategies described in the literature. Application of a well-known colorimetric assay based on aggregation of gold nanoparticles (AuNPs) yielded conflicting results with respect to the original report. Therefore, ampicillin binding was evaluated in solution using isothermal titration calorimetry (ITC), native nano-electrospray ionization mass spectrometry (native nESI-MS), and 1H-nuclear magnetic resonance spectroscopy (1H NMR). By coupling the thermodynamic data obtained with ITC with the structural information on the binding event given by native nESI-MS and 1H NMR we could verify that none of the ampicillin aptamers show any specific binding with their intended target. The effect of AuNPs on the binding event was studied by both ITC and 1H NMR, again without providing positive evidence of ampicillin binding. To validate the performance of our analytical approach, we investigated two well-characterized aptamers for cocaine/quinine (MN4), chosen for its nanomolar range affinity, and l-argininamide (1OLD) to show the versatility of our approach. The results clearly indicate the need for a multifaceted analytical approach, to unequivocally establish the actual detection potential and performance of aptamers aimed at small organic molecules. |
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 |
000592911000024 |
Publication Date |
2020-11-09 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
0002-7863 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
15 |
Times cited |
|
Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
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Notes |
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Approved |
Most recent IF: 15; 2020 IF: 13.858 |
Call Number |
UA @ admin @ c:irua:173136 |
Serial |
6488 |
Permanent link to this record |
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Author |
Conti, S.; Van der Donck, M.; Perali, A.; Peeters, F.M.; Neilson, D. |
Title |
Doping-dependent switch from one- to two-component superfluidity in coupled electron-hole van der Waals heterostructures |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
Volume |
101 |
Issue |
22 |
Pages |
220504-220506 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The hunt for high-temperature superfluidity has received new impetus from the discovery of atomically thin stable materials. Electron-hole superfluidity in coupled MoSe2-WSe2 monolayers is investigated using a mean-field multiband model that includes band splitting caused by strong spin-orbit coupling. This splitting leads to a large energy misalignment of the electron and hole bands which is strongly modified by interchanging the doping of the monolayers. The choice of doping determines if the superfluidity is tunable from one to two components. |
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 |
000538941900002 |
Publication Date |
2020-06-09 |
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 |
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.7 |
Times cited |
12 |
Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
|
Notes |
; This work was partially supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl), the Methusalem Foundation, and the FLAG-ERA project TRANS2DTMD. We thank A. R. Hamilton and A. Vargas-Paredes for useful discussions. ; |
Approved |
Most recent IF: 3.7; 2020 IF: 3.836 |
Call Number |
UA @ admin @ c:irua:170201 |
Serial |
6489 |
Permanent link to this record |
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Author |
Muys, M.; Papini, G.; Spiller, M.; Sakarika, M.; Schwaiger, B.; Lesueur, C.; Vermeir, P.; Vlaeminck, S.E. |
Title |
Dried aerobic heterotrophic bacteria from treatment of food and beverage effluents: Screening of correlations between operation parameters and microbial protein quality |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Bioresource Technology |
Abbreviated Journal |
Bioresource Technol |
Volume |
307 |
Issue |
|
Pages |
123242-11 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
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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 |
000528857700051 |
Publication Date |
2020-03-23 |
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 |
|
ISSN |
0960-8524 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
11.4 |
Times cited |
1 |
Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
|
Notes |
; The authors kindly thank (i) i-Cleantech Flanders MIP (Milieu-innovatieplatform) for financial support through the MicroNOD project (Microbial Nutrients on Demand), (ii) Erik Fransen (StatUA) for the helpful advice on the statistical analysis, and (iii) Ilse De Leersnyder and Diederik Leenknecht for assistance with the EAA analysis. ; |
Approved |
Most recent IF: 11.4; 2020 IF: 5.651 |
Call Number |
UA @ admin @ c:irua:169452 |
Serial |
6491 |
Permanent link to this record |
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Author |
van der Snickt, G.; Dooley, K.A.; Sanyova, J.; Dubois, H.; Delaney, J.K.; Gifford, E.M.; Legrand, S.; Laquiere, N.; Janssens, K. |
Title |
Dual mode standoff imaging spectroscopy documents the painting process of the Lamb of God in the Ghent Altarpiece by J. and H. Van Eyck |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Science Advances |
Abbreviated Journal |
|
Volume |
6 |
Issue |
31 |
Pages |
eabb3379 |
Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES) |
Abstract |
The ongoing conservation treatment program of the Ghent Altarpiece by Hubert and Jan Van Eyck, one of the iconic paintings of the west, has revealed that the designs of the paintings were changed several times, first by the original artists, and then during later restorations. The central motif, The Lamb of God, representing Christ, plays an essential iconographic role, and its depiction is important. Because of the prevalence of lead white, it was not possible to visualize the Van Eycks' original underdrawing of the Lamb, their design changes, and the overpaint by later restorers with a single spectral imaging modality. However, by using elemental (x-ray fluorescence) and molecular (infrared reflectance) imaging spectroscopies, followed by analysis of the resulting data cubes, the necessary chemical contrast could be achieved. In this way, the two complementary modalities provided a more complete picture of the development and changes made to the Lamb. |
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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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Wos |
000556543100033 |
Publication Date |
2020-07-29 |
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 |
2375-2548 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
13.6 |
Times cited |
|
Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
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Notes |
; This research was part of the activities of the Chair on Advanced Imaging Techniques for the Arts, established by the Baillet Latour fund. In addition, it was supported by the Belgian Science Policy Office (Project MO/39/011) and the Gieskes-Strijbis fund. We are also indebted to the BOF-GOA SOLARPaint project of the University of Antwerp Research Council and to FWO (Brussels) projects G056619N and G054719N. J.K.D. and K.A.D. acknowledge support from the National Gallery of Art. ; |
Approved |
Most recent IF: 13.6; 2020 IF: NA |
Call Number |
UA @ admin @ c:irua:171270 |
Serial |
6494 |
Permanent link to this record |
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Author |
Sui, Y.; Vlaeminck, S.E. |
Title |
Dunaliella microalgae for nutritional protein : an undervalued asset |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Trends in biotechnology : regular edition |
Abbreviated Journal |
|
Volume |
38 |
Issue |
1 |
Pages |
10-12 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
β-carotene production using Dunaliella microalgae is established, yet their potential as a source of protein for food and feed applications appears to be overlooked. The rich protein content and nutritional tunability of Dunaliella make these algae intriguing sources of sustainable protein. Thus, it is of societal interest to exploit these promising proteinaceous Dunaliella traits. |
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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 |
000503376700004 |
Publication Date |
2019-08-23 |
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 |
|
ISSN |
1879-3096; 0167-7799 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
17.3 |
Times cited |
2 |
Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
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Notes |
; This work was supported by the China Scholarship Council (File No. 201507650015) and the MIP i-Clean-tech Flanders (Milieu-innovatieplatform; Environment Innovation Platform) project Microbial Nutrients on Demand (MicroNOD). Dr Michele Moretti from University of Antwerp is acknowledged for proofreading the manuscript. ; |
Approved |
Most recent IF: 17.3; 2020 IF: 11.126 |
Call Number |
UA @ admin @ c:irua:164903 |
Serial |
6495 |
Permanent link to this record |
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Author |
Kara De Maeijer, P.; Craeye, B.; Snellings, R.; Kazemi-Kamyab, H.; Loots, M.; Janssens, K.; Nuyts, G. |
Title |
Effect of ultra-fine fly ash on concrete performance and durability |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Construction And Building Materials |
Abbreviated Journal |
Constr Build Mater |
Volume |
263 |
Issue |
|
Pages |
120493-13 |
Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Energy and Materials in Infrastructure and Buildings (EMIB) |
Abstract |
In the present study ultra-fine fly ash as a novel by-product obtained by a dry and closed separation process was investigated as cement replacement in concrete. The impact of ultra-fine fly ash on material properties was investigated following an upscaling as an approach considering paste, mortar and concrete properties. Two types of cement, Portland cement (CEMI) and slag cement (CEMIII), two types of ultra-fly ashes, one with particle size d90< 9.3lm (FA1) and second with d90< 4.6lm (FA2) were used.At paste- and mortar- level, cement was replaced at 0%, 15%, 25%, 35% and 50% with FA1 and FA2. At concrete- level, cement was replaced at 0%, 15% and 25% with different ratios of FA1 and FA2. The results at paste- and mortar- level showed that an increased fineness of the fly ash (FA2) contributes to better workability of the mix. For CEMI, the compressive strength of concrete with FA2 at 25% cement replacement was already equal to the reference 0% replacement concrete at the age of 28 days. For CEMIII, the compressive strength of concrete mix with FA1 with 15% and FA2 with 25% cement replacements reached the reference concrete value at the age of 91 days. Regarding the durability, replacing cement with ultra-fine fly ash (FA2) had a positive influence on the resistivity, chloride migration coefficient and alkali-silica reaction (ASR), and a negative influence on the carbonation resistance. |
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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 |
000582567100093 |
Publication Date |
2020-10-13 |
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 |
|
ISSN |
0950-0618 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
7.4 |
Times cited |
|
Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
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Notes |
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Approved |
Most recent IF: 7.4; 2020 IF: 3.169 |
Call Number |
UA @ admin @ c:irua:171815 |
Serial |
6498 |
Permanent link to this record |
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Author |
Grubova, I.Y.; Surmeneva, M.A.; Surmenev, R.A.; Neyts, E.C. |
Title |
Effect of van der Waals interactions on the adhesion strength at the interface of the hydroxyapatite-titanium biocomposite : a first-principles study |
Type |
A1 Journal article |
Year |
2020 |
Publication |
RSC advances |
Abbreviated Journal |
|
Volume |
10 |
Issue |
62 |
Pages |
37800-37805 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Hydroxyapatite (HAP) is frequently used as biocompatible coating on Ti-based implants. In this context, the HAP-Ti adhesion is of crucial importance. Here, we report ab initio calculations to investigate the influence of Si incorporation into the amorphous calcium-phosphate (a-HAP) structure on the interfacial bonding mechanism between the a-HAP coating and an amorphous titanium dioxide (a-TiO2) substrate, contrasting two different density functionals: PBE-GGA, and DFT-D3, which are capable of describing the influence of the van der Waals (vdW) interactions. In particular, we discuss the effect of dispersion on the work of adhesion (W-ad), equilibrium geometries, and charge density difference (CDD). We find that replacement of P by Si in a-HAP (a-Si-HAP) with the creation of OH vacancies as charge compensation results in a significant increase in the bond strength between the coating and substrate in the case of using the PBE-GGA functional. However, including the vdW interactions shows that these forces considerably contribute to the W-ad. We show that the difference (W-ad – W-ad(vdW)) is on average more than 1.1 J m(-2) and 0.5 J m(-2) for a-HAP/a-TiO2 and a-Si-HAP/a-TiO2, respectively. These results reveal that including vdW interactions is essential for accurately describing the chemical bonding at the a-HAP/a-TiO2 interface. |
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Place of Publication |
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Language |
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Wos |
000583523300025 |
Publication Date |
2020-10-14 |
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 |
Impact Factor |
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Times cited |
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Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
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Notes |
; The authors gratefully acknowledge financial support from the Russian president's grant MK-330.2020.8 and BOF Fellowships for International Joint PhD students funded by University of Antwerp (UAntwerp, project number 32545). The work was carried out at Tomsk Polytechnic University within the framework of Tomsk Polytechnic University Competitiveness Enhancement Program grant and in part using the Turing HPC infrastructure of the CalcUA core facility of the UAntwerp, a division of the Flemish Supercomputer Centre (VSC), funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerp, Belgium. ; |
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:173603 |
Serial |
6499 |
Permanent link to this record |
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Author |
Bafekry, A.; Yagmurcukardes, M.; Shahrokhi, M.; Ghergherehchi, M. |
Title |
Electro-optical properties of monolayer and bilayer boron-doped C₃N: Tunable electronic structure via strain engineering and electric field |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
Volume |
168 |
Issue |
|
Pages |
220-229 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
In this work, the structural, electronic and optical properties of monolayer and bilayer of boron doped C3N are investigated by means of density functional theory-based first-principles calculations. Our results show that with increasing the B dopant concentration from 3.1% to 12.5% in the hexagonal pattern, an indirect-to-direct band gap (0.8 eV) transition occurs. Furthermore, we study the effect of electric field and strain on the B doped C3N bilayer (B-C3N@2L). It is shown that by increasing E-field strength from 0.1 to 0.6V/angstrom, the band gap displays almost a linear decreasing trend, while for the > 0.6V/angstrom, we find dual narrow band gap with of 50 meV (in parallel E-field) and 0.4 eV (in antiparallel E-field). Our results reveal that in-plane and out-of-plane strains can modulate the band gap and band edge positions of the B-C3N@2L. Overall, we predict that B-C3N@2L is a new platform for the study of novel physical properties in layered two-dimensional materials (2DM) which may provide new opportunities to realize high-speed low-dissipation devices. (C) 2020 Elsevier Ltd. All rights reserved. |
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 |
000565900900008 |
Publication Date |
2020-07-13 |
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 |
|
ISSN |
0008-6223 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
10.9 |
Times cited |
21 |
Open Access ![sorted by Open Access field, descending order (down)](img/sort_desc.gif) |
|
Notes |
; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government(MSIT) (NRF-2017R1A2B2011989). M. Yagmurcukardes acknowledges Flemish Science Foundation (FWO-VI) by a postdoctoral fellowship. ; |
Approved |
Most recent IF: 10.9; 2020 IF: 6.337 |
Call Number |
UA @ admin @ c:irua:171914 |
Serial |
6500 |
Permanent link to this record |