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Author | Pandey, T.; Du, M.-H.; Parker, D.S.; Lindsay, L. | ||||
Title | Origin of ultralow phonon transport and strong anharmonicity in lead-free halide perovskites | Type | A1 Journal article | ||
Year | 2022 | Publication | Materials Today Physics | Abbreviated Journal | |
Volume | 28 | Issue | Pages | 100881-10 | |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract ![]() |
All-inorganic lead-free halide double perovskites offer a promising avenue toward non-toxic, stable optoelec-tronic materials, properties that are missing in their prominent lead-containing counterparts. Their large ther-mopowers and high carrier mobilities also make them promising for thermoelectric applications. Here, we present a first-principles study of the lattice vibrations and thermal transport behaviors of Cs2SnI6 and gamma-CsSnI3, two prototypical compounds in this materials class. We show that conventional static zero temperature density functional theory (DFT) calculations severely underestimate the lattice thermal conductivities (kappa l) of these compounds, indicating the importance of dynamical effects. By calculating anharmonic renormalized phonon dispersions, we show that some optic phonons significantly harden with increasing temperature (T), which reduces the scattering of heat carrying phonons and enhances calculated kappa l values when compared with standard zero temperature DFT. Furthermore, we demonstrate that coherence contributions to kappa l, arising from wave like phonon tunneling, are important in both compounds. Overall, calculated kappa l with temperature-dependent inter-atomic force constants, built from particle and coherence contributions, are in good agreement with available measured data, for both magnitude and temperature dependence. Large anharmonicity combined with low phonon group velocities yield ultralow kappa l values, with room temperature values of 0.26 W/m-K and 0.72 W/m-K predicted for Cs2SnI6 and gamma-CsSnI3, respectively. We further show that the lattice dynamics of these compounds are highly anharmonic, largely mediated by rotation of the SnI6 octahedra and localized modes originating from Cs rattling motion. These thermal characteristics combined with their previously computed excellent electronic properties make these perovskites promising candidates for optoelectronic and room temperature thermoelectric applications. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000876484300002 | Publication Date | 2022-10-10 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2542-5293 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 11.5 | Times cited | Open Access | Not_Open_Access | |
Notes | Approved | Most recent IF: 11.5 | |||
Call Number | UA @ admin @ c:irua:192139 | Serial | 7329 | ||
Permanent link to this record | |||||
Author | Matthieu, L.; Godoi, A.F.L.; Lambert, J.; Van Grieken, R. | ||||
Title | Occupational allergic contact dermatitis from bisphenol A in vinyl gloves | Type | A1 Journal article | ||
Year | 2003 | Publication | Contact dermatitis | Abbreviated Journal | |
Volume | 49 | Issue | 6 | Pages | 281-283 |
Keywords | A1 Journal article; Translational Pathophysiological Research (TPR); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract ![]() |
Allergic contact dermatitis caused by polyvinyl chloride gloves is rarely reported, and in only 2 cases was bisphenol A considered to be the responsible sensitizer. We report a patient with occupational hand dermatitis after the use of a new type of high-density vinyl (HDV) gloves. Patch tests showed positive (++) reactions to both used and new HDV gloves and to bisphenol A. Chemical analysis by gas chromatography-mass spectrometry demonstrated the presence of bisphenol A in the HDV gloves. Replacement by nitrile rubber gloves resulted in complete clearance of the hand dermatitis. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000220740700003 | Publication Date | 2004-03-16 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0105-1873 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:45365 | Serial | 8324 | ||
Permanent link to this record | |||||
Author | Filez, M.; Poelman, H.; Redekop, E.A.; Galvita, V.V.; Alexopoulos, K.; Meledina, M.; Ramachandran, R.K.; Dendooven, J.; Detavernier, C.; Van Tendeloo, G.; Safonova, O.V.; Nachtegaal, M.; Weckhuysen, B.M.; Marin, G.B. | ||||
Title | Kinetics of lifetime changes in bimetallic nanocatalysts revealed by quick X-ray absorption spectroscopy | Type | A1 Journal article | ||
Year | 2018 | Publication | Angewandte Chemie: international edition in English | Abbreviated Journal | Angew Chem Int Edit |
Volume | 57 | Issue | 38 | Pages | 12430-12434 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Alloyed metal nanocatalysts are of environmental and economic importance in a plethora of chemical technologies. During the catalyst lifetime, supported alloy nanoparticles undergo dynamic changes which are well-recognized but still poorly understood. High-temperature O-2-H-2 redox cycling was applied to mimic the lifetime changes in model Pt13In9 nanocatalysts, while monitoring the induced changes by insitu quick X-ray absorption spectroscopy with one-second resolution. The different reaction steps involved in repeated Pt13In9 segregation-alloying are identified and kinetically characterized at the single-cycle level. Over longer time scales, sintering phenomena are substantiated and the intraparticle structure is revealed throughout the catalyst lifetime. The insitu time-resolved observation of the dynamic habits of alloyed nanoparticles and their kinetic description can impact catalysis and other fields involving (bi)metallic nanoalloys. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Weinheim | Editor | ||
Language | Wos | 000444225100038 | Publication Date | 2018-08-03 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1433-7851; 0570-0833 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 11.994 | Times cited | 4 | Open Access | OpenAccess |
Notes | ; M.F. acknowledges a European Union's Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement (No. 748563). E.A.R acknowledges the Marie Curie International Incoming Fellowship granted by the European Commission (No. 301703). This work was supported by the Fund for Scientific Research Flanders (G.0209.11), the “Long Term Structural Methusalem Funding by the Flemish Government”. The research leading to these results has received funding from the European Community's Seventh Framework Programme (FP7 /2007-2013) under grant agreement No. 312284 (CALIPSO). We thanks the Swiss Light Source for providing beamtime at the SuperXAS beamline. ; | Approved | Most recent IF: 11.994 | ||
Call Number | UA @ lucian @ c:irua:153633 | Serial | 5111 | ||
Permanent link to this record | |||||
Author | Vervaet, B.A.; Nast, C.C.; Jayasumana, C.; Schreurs, G.; Roels, F.; Herath, C.; Kojc, N.; Samaee, V.; Rodrigo, S.; Gowrishankar, S.; Mousson, C.; Dassanayake, R.; Orantes, C.M.; Vuiblet, V.; Rigothier, C.; d' Haese, P.C.; de Broe, M.E. | ||||
Title | Chronic interstitial nephritis in agricultural communities is a toxin induced proximal tubular nephropathy | Type | A1 Journal article | ||
Year | 2019 | Publication | Kidney international | Abbreviated Journal | Kidney Int |
Volume | 97 | Issue | 97 | Pages | 350-369 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory Experimental Medicine and Pediatrics (LEMP); Pathophysiology | ||||
Abstract ![]() |
Almost 30 years after the detection of chronic interstitial nephritis in agricultural communities (CINAC) its etiology remains unknown. To help define this we examined 34 renal biopsies from Sri Lanka, El Salvador, India and France of patients with chronic kidney disease 2-3 and diagnosed with CINAC by light and electron microscopy. In addition to known histopathology, we identified a unique constellation of proximal tubular cell findings including large dysmorphic lysosomes with a light-medium electron-dense matrix containing dispersed dark electron-dense non-membrane bound “aggregates”. These aggregates associated with varying degrees of cellular/tubular atrophy, apparent cell fragment shedding and no-weak proximal tubular cell proliferative capacity. Identical lysosomal lesions, identifiable by electron microscopy, were observed in 9% of renal transplant implantation biopsies, but were more prevalent in six month (50%) and 12 month (67%) protocol biopsies and in indication biopsies (76%) of calcineurin inhibitor treated transplant patients. The phenotype was also found associated with nephrotoxic drugs (lomustine, clomiphene, lithium, cocaine) and in some patients with light chain tubulopathy, all conditions that can be directly or indirectly linked to calcineurin pathway inhibition or modulation. One hundred biopsies of normal kidneys, drug/toxin induced nephropathies, and overt proteinuric patients of different etiologies to some extent could demonstrate the light microscopic proximal tubular cell changes, but rarely the electron microscopic lysosomal features. Rats treated with the calcineurin inhibitor cyclosporine for four weeks developed similar proximal tubular cell lysosomal alterations, which were absent in a dehydration group. Overall, the finding of an identical proximal tubular cell (lysosomal) lesion in CINAC and calcineurin inhibitor nephrotoxicity in different geographic regions suggests a common paradigm where CINAC patients undergo a tubulotoxic mechanism similar to calcineurin inhibitor nephrotoxicity. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000508449300020 | Publication Date | 2019-11-23 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0085-2538; 1523-1755 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 8.395 | Times cited | Open Access | ||
Notes | Approved | Most recent IF: 8.395 | |||
Call Number | UA @ admin @ c:irua:164305c:irua:166544 | Serial | 5384 | ||
Permanent link to this record | |||||
Author | Álvarez-Martín, A.; De Winter, S.; Nuyts, G.; Hermans, J.; Janssens, K.; van der Snickt, G. | ||||
Title | Multi-modal approach for the characterization of resin carriers in Daylight Fluorescent Pigments | Type | A1 Journal article | ||
Year | 2020 | Publication | Microchemical Journal | Abbreviated Journal | Microchem J |
Volume | 159 | Issue | Pages | 105340 | |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES) | ||||
Abstract ![]() |
Almost seventy years after artists such as Frank Stella (1936), Andy Warhol (1928-1987), James Rosenquist (1933-2017), Herb Aach (1923-1985) and Richard Bowman (1918-2001) started to incorporate Daylight Fluorescent Pigments (DFPs) in their artworks, the extent of the conservation problems that are associated with these pigments has increased progressively. Since their first appearance on the market, their composition has constantly been improved in terms of permanency. However, conservation practices on the artworks that are used in, are complicated by the fact that the composition of DFPs is proprietary and the information provided by the manufactures is limited. To be able to propose adequate conservation strategies for artworks containing DFPs, a thorough understanding of the DFPs composition must be acquired. In contrast with previous research that concentrated on identification of the coloring dye, this paper focuses on the characterization of the resin, used as the carrier for the dye. The proposed approach, involving ATR-FTIR, SPME-GC-MS and XRF analysis, provided additional insights on the organic and inorganic components of the resin. Using this approach, we investigated historical DFPs and new formulations, as well as different series from the main manufacturing companies (DayGlo, Swada, Radiant Color and Kremer) in order to obtain a full characterization of DFPs used by the artists along the years. First, the initial PCA-assisted ATR-FTIR spectroscopy allowed for an efficient classification of the main monomers in the resin polymer. Next, a further distinction was made by mass spectrometry and XRF which were optimized to allow a more specific classification of the resin and for detection of additives. In this paper we show the potential of SPME-GC-MS, never applied for the characterization of artistic materials, at present undervalued for heritage science purposes. We anticipate that this information will be highly relevant in the future stability studies and for defining (preventive) conservation strategies of fluorescent artworks. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000598761400009 | Publication Date | 2020-07-30 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0026-265x; 0026-265x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.8 | Times cited | Open Access | ||
Notes | Approved | Most recent IF: 4.8; 2020 IF: 3.034 | |||
Call Number | UA @ admin @ c:irua:175083 | Serial | 8286 | ||
Permanent link to this record | |||||
Author | Cagno, S.; Badano, M.B.; Mathis, F.; Strivay, D.; Janssens, K. | ||||
Title | Study of medieval glass fragments from Savona (Italy) and their relation with the glass produced in Altare | Type | A1 Journal article | ||
Year | 2012 | Publication | Journal of archaeological science | Abbreviated Journal | J Archaeol Sci |
Volume | 39 | Issue | 7 | Pages | 2191-2197 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract ![]() |
Altare was in the medieval and post-medieval period an important glassmaking center in the Liguria region in Northern Italy. The first historical evidence of glassmaking in Altare is dated to the twelfth century. In spite of that, due to the continuity of glassmaking up to the present time and the contemporaneous intensive urbanization of the territory, no medieval glass from Altare or its immediate vicinity has been analyzed up to now. In this work, glass from archaeological excavations in the center of Savona, city with close ties with the glassmaking center, was studied. Glass fragments, dated from the tenth to the sixteenth century were selected from the collections of the Archaeological Museum in Savona and non-destructively analyzed with quantitative PIXE-PIGE. The resulting compositions, compared with known glass productions of the same time and evaluated on the basis of historical documents, offer an interesting panorama on the variety of glass circulation in Liguria. (C) 2012 Elsevier Ltd. All rights reserved. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000305849400027 | Publication Date | 2012-03-29 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0305-4403 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.602 | Times cited | 21 | Open Access | |
Notes | ; This research was supported by the Interuniversity Attraction Poles Programme – Belgian Science Policy (IUAP VI/16). The text also presents results of GOA “XANES meets ELNES” (Research Fund University of Antwerp, Belgium) and from FWO (Brussels, Belgium) projects no. G.0704.08 and G.01769.09. The authors gratefully acknowledge Prof. Carlo Varaldo for allowing the study of the glass preserved in the Archaeological Museum of Savona. ; | Approved | Most recent IF: 2.602; 2012 IF: 1.889 | ||
Call Number | UA @ admin @ c:irua:100332 | Serial | 5849 | ||
Permanent link to this record | |||||
Author | Tambuyzer, B.R.; Bergwerf, I.; de Vocht, N.; Reekmans, K.; Daans, J.; Jorens, P.G.; Goossens, H.; Ysebaert, D.K.; Chatterjee, S.; Van Marck, E.; Berneman, Z.N.; Ponsaerts, P. | ||||
Title | Allogeneic stromal cell implantation in brain tissue leads to robust microglial activation | Type | A1 Journal article | ||
Year | 2009 | Publication | Immunology and cell biology | Abbreviated Journal | Immunol Cell Biol |
Volume | Issue | Pages | |||
Keywords | A1 Journal article; Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP); Bio-Imaging lab; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
Although adult and embryonic stem cell-based therapy for central nervous system (CNS) injury is being developed worldwide, less attention is given to the immunological aspects of allogeneic cell implantation in the CNS. The latter is of major importance because, from a practical point of view, future stem cell-based therapy for CNS injury will likely be performed using well-characterised allogeneic stem cell populations. In this study, we aimed to further describe the immunological mechanism leading to rejection of allogeneic bone marrow-derived stromal cells (BM-SC) after implantation in murine CNS. For this, we first investigated the impact of autologous and allogeneic BM-SC on microglia activation in vitro. Although the results indicate that both autologous and allogeneic BM-SC do not activate microglia themselves in vitro, they also do not inhibit activation of microglia after exogenous stimuli in vitro. Next, we investigated the impact of allogeneic BM-SC on microglia activation in vivo. In contrast to the in vitro observations, microglia become highly activated in vivo after implantation of allogeneic BM-SC in the CNS of immune-competent mice. Moreover, our results suggest that microglia, rather than T-cells, are the major contributors to allograft rejection in the CNS. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Adelaide | Editor | ||
Language | Wos | 000266208800003 | Publication Date | 2009-03-17 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0818-9641 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.557 | Times cited | 31 | Open Access | |
Notes | Approved | Most recent IF: 4.557; 2009 IF: 4.200 | |||
Call Number | UA @ lucian @ c:irua:74903 | Serial | 4515 | ||
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Author | Billet, J.; Vandewalle, S.; Meire, M.; Blommaerts, N.; Lommens, P.; Verbruggen, S.W.; De Buysser, K.; Du Prez, F.; Van Driesche, I. | ||||
Title | Mesoporous TiO2 from poly(N,N-dimethylacrylamide)-b-polystyrene block copolymers for long-term acetaldehyde photodegradation | Type | A1 Journal article | ||
Year | 2019 | Publication | Journal of materials science | Abbreviated Journal | J Mater Sci |
Volume | 55 | Issue | 55 | Pages | 1933-1945 |
Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract ![]() |
Although already some mesoporous (2–50 nm) sol–gel TiO2 synthesis strategies exist, no pore size control beyond the 12 nm range is possible without using specialized organic structure-directing agents synthetized via controlled anionic/radical polymerizations. Here, we present the use of reversible addition–fragmentation chain transfer (RAFT) polymerization as a straightforward and industrial applicable alternative to the existing controlled polymerization methods for structure-directing agent synthesis. Poly(N,N-dimethylacrylamide)-block-polystyrene (PDMA-b-PS) block copolymer, synthesized via RAFT, was chosen as structure-directing agent for the formation of the mesoporous TiO2. Crack-free thin layers TiO2 with tunable pores from 8 to 45 nm could be acquired. For the first time, in a detailed and systematic approach, the influence of the block size and dispersity of the block copolymer is experimentally screened for their influence on the final meso-TiO2 layers. As expected, the mesoporous TiO2 pore sizes showed a clear correlation to the polystyrene block size and the dispersity of the PDMA-b-PS block copolymer. Surprisingly, the dispersity of the polymer was shown not to be affecting the standard deviation of the pores. As a consequence, RAFT could be seen as a viable alternative to the aforementioned controlled polymerization reactions for the synthesis of structure-directing agents enabling the formation of mesoporous pore size-controlled TiO2. To examine the photocatalytic activity of the mesoporous TiO2 thin layers, the degradation of acetaldehyde, a known indoor pollutant, was studied. Even after 3 years of aging, the TiO2 thin layer retained most of its activity. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000494929300001 | Publication Date | 2019-11-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-2461 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.599 | Times cited | 2 | Open Access | |
Notes | ; Ghent University is acknowledged for funding the research presented in this paper. M. Meire and S. W. Verbruggen acknowledge the FWO-Flanders (Fund for Scientific Research-Flanders) for financial support. The authors thank Bernhard De Meyer for the SEC analysis, Hannes Rijckaert for the cross-sectional analysis, Tom Planckaert for BET analysis of the meso-TiO<INF>2</INF> powders, Jeroen Kint for the porosiellipsometry tests and Frank Driessen for the MALDI-TOF analysis. ; | Approved | Most recent IF: 2.599 | ||
Call Number | UA @ admin @ c:irua:163842 | Serial | 5969 | ||
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Author | Berthelot, A.; Bogaerts, A. | ||||
Title | Modeling of plasma-based CO2conversion: lumping of the vibrational levels | Type | A1 Journal article | ||
Year | 2016 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 25 | Issue | 25 | Pages | 045022 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
Although CO2 conversion by plasma technology is gaining increasing interest, the underlying mechanisms for an energy-efficient process are still far from understood. In this work, a reduced non-equilibrium CO2 plasma chemistry set, based on level lumping of the vibrational levels, is proposed and the reliability of this level-lumping method is tested by a self-consistent zero-dimensional code. A severe reduction of the number of equations to be solved is achieved, which is crucial to be able to model non-equilibrium CO2 plasmas by 2-dimensional models. Typical conditions of pressure and power used in a microwave plasma for CO2 conversion are investigated. Several different sets, using different numbers of lumped groups, are considered. The lumped models with 1, 2 or 3 groups are able to reproduce the gas temperature, electron density and electron temperature profiles, as calculated by the full model treating all individual excited levels, in the entire pressure range investigated. Furthermore, a 3-groups model is also able to reproduce the shape of the vibrational distribution function (VDF) and gives the most reliable prediction of the CO2 conversion. A strong influence of the vibrational excitation on the plasma characteristics is observed. Finally, the limitations of the lumped-levels method are discussed. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000380380200036 | Publication Date | 2016-07-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0963-0252 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.302 | Times cited | 33 | Open Access | |
Notes | This project has received funding from the European Union’s Seventh Framework Programme for research, technological development and demonstration under grant agreement no 606889 and it was also carried out in the framework of the network on Physical Chemistry of Plasma-Surface Interactions—Interuniversity Attraction Poles, phase VII (PSI-IAP7) supported by the Belgian Science Policy Office (BELSPO). The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. | Approved | Most recent IF: 3.302 | ||
Call Number | c:irua:134397 | Serial | 4101 | ||
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Author | Fang, C.M.; van Huis, M.A.; Jansen, J.; Zandbergen, H.W. | ||||
Title | Role of carbon and nitrogen in Fe2C and Fe2N from first-principles calculations | Type | A1 Journal article | ||
Year | 2011 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 84 | Issue | 9 | Pages | 094102-094102,10 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Although Fe2C and Fe2N are technologically important materials, the exact nature of the chemical bonding of C and N atoms and the related impact on the electronic properties are at present unclear. Here, results of first-principles electronic structure calculations for Fe2X (X = C, N) phases are presented. The electronic structure calculations show that the roles of N and C in iron nitrides and carbides are comparable, and that the X-X interactions have significant impact on electronic properties. Accurate analysis of the spatially resolved differences in electron densities reveals a subtle distinction between the chemical bonding and charge transfer of N and C ions. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000294772800003 | Publication Date | 2011-09-09 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1098-0121;1550-235X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.836 | Times cited | 24 | Open Access | |
Notes | Approved | Most recent IF: 3.836; 2011 IF: 3.691 | |||
Call Number | UA @ lucian @ c:irua:92327 | Serial | 2912 | ||
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Author | Meul, M.; Van Passel, S.; Fremaut, D.; Haesaert, G. | ||||
Title | Higher sustainability performance of intensive grazing versus zero-grazing dairy systems | Type | A1 Journal article | ||
Year | 2012 | Publication | Agronomy For Sustainable Development | Abbreviated Journal | Agron Sustain Dev |
Volume | 32 | Issue | 3 | Pages | 629-638 |
Keywords | A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) | ||||
Abstract ![]() |
Although grazing of dairy cows is an integral part of dairy farming in many European countries, farmers today more often choose for zero-grazing systems, where cows are housed throughout the year. Some studies already compared grazing and zero-grazing systems for specific issues such as labor efficiency, environmental impact, or animal welfare. In our study, we perform a more integrated evaluation, considering relevant ecological, economic, and social aspects. This allows for a balanced and more complete comparison of the sustainability performance of the two production methods. We evaluated ten intensive grazing and ten zero-grazing specialized Flemish dairy farms on the use of nutrients and energy, productivity and profitability, labor input, and animal welfare. In addition, we put special effort in formulating useful management advice for farmers. Therefore, we combined a detailed analysis of the sustainability indicators with an intensive interaction and discussion with farmers and farm advisors. Results show that, on average, the zero-grazing farms performed significantly worse from an ecological and economic point of view. This fact is explained mainly due to a less efficient use of concentrates and byproducts. Social sustainability performance did not differ significantly between the two groups. As a result, the integrated sustainability performance was significantly lower for the zero-grazing group. This finding shows that a further shift from intensive grazing to zero-grazing can move dairy farming in Flanders further away from sustainability. An important advice to improve the ecological and economic performance of zero-grazing farms is to optimize cows' rations to include more forages and optimize forage production and use. More detailed site- and case-specific management advice for farmers of both groups was provided during a discussion meeting. We consider this an essential additional step to any sustainability evaluation, since progress can only be made when monitoring results are translated into practical measures. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000306061800003 | Publication Date | 2012-01-11 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1774-0746 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.101 | Times cited | 26 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 4.101; 2012 IF: 3.573 | ||
Call Number | UA @ admin @ c:irua:127557 | Serial | 6209 | ||
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Author | De Keukeleere, K.; Cayado, P.; Meledin, A.; Vallès, F.; De Roo, J.; Rijckaert, H.; Pollefeyt, G.; Bruneel, E.; Palau, A.; Coll, M.; Ricart, S.; Van Tendeloo, G.; Puig, T.; Obradors, X.; Van Driessche, I. | ||||
Title | Superconducting YBa2Cu3O7-δNanocomposites Using Preformed ZrO2Nanocrystals: Growth Mechanisms and Vortex Pinning Properties | Type | A1 Journal article | ||
Year | 2016 | Publication | Advanced Electronic Materials | Abbreviated Journal | |
Volume | 2 | Issue | 2 | Pages | 1600161 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Although high temperature superconductors are promising for power applications, the production of low-cost coated conductors with high current densities—at high magnetic fields—remains challenging. A superior superconducting YBa2Cu3O7–δ nanocomposite is fabricated via chemical solution deposition (CSD) using preformed nanocrystals (NCs). Preformed, colloidally stable ZrO2 NCs are added to the trifluoroacetic acid based precursor solution and the NCs' stability is confirmed up to 50 mol% for at least 2.5 months. These NCs tend to disrupt the epitaxial growth of YBa2Cu3O7–δ, unless a thin seed layer is applied. A 10 mol% ZrO2 NC addition proved to be optimal, yielding a critical current density JC of 5 MA cm−2 at 77 K in self-field. Importantly, this new approach results in a smaller magnetic field decay of JC(H//c) for the nanocomposite compared to a pristine film. Furthermore, microstructural analysis of the YBa2Cu3O7–δ nanocomposite films reveals that different strain generation mechanisms may occur compared to the spontaneous segregation approach. Yet, the generated nanostrain in the YBa2Cu3O7–δ nanocomposite results in an improvement of the superconducting properties similar to the spontaneous segregation approach. This new approach, using preformed NCs in CSD coatings, can be of great potential for high magnetic field applications. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000386624100003 | Publication Date | 2016-09-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2199160X | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 26 | Open Access | ||
Notes | This work was financially supported by a BOF research fund of Ghent University (BOF11/DOC/286), FWO Flanders (F08512), and Eurotapes, a collaborative project funded by the European Community’s Seven Framework Program (EU-FP7 NMP-LA-2012-280432). We also acknowledge MINECO and FEDER funds for MAT2014-51778-C2-1-R and the Center of Excellence award Severo Ochoa SEV-2015-0496, and SGR753 from the Generalitat of Catalunya. MC acknowledges RyC contract 2013-12448 | Approved | Most recent IF: NA | ||
Call Number | EMAT @ emat @ c:irua:135171 | Serial | 4118 | ||
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Author | Fatemi, M.; Azadi, H.; Rafiaani, P.; Taheri, F.; Dubois, T.; Van Passel, S.; Witlox, F. | ||||
Title | Effects of supply chain management on tomato export in Iran : application of structural equation modeling | Type | A1 Journal article | ||
Year | 2018 | Publication | Journal of food products marketing | Abbreviated Journal | |
Volume | 24 | Issue | 2 | Pages | 177-195 |
Keywords | A1 Journal article; Economics; Engineering Management (ENM); Government and Law | ||||
Abstract ![]() |
Although Iran is one of the top 10 countries in the world that produce tomatoes, the level that they are exported into the global market is low. This issue may have resulted from a major problem within tomatoes supply chain management. This paper aims to develop an empirical model of the supply chain management (SCM) of tomato companies. Throughout the reviewed literature, a SCM construct with different six indicators has been developed, including information sharing, long-term relationship, cooperation, quality, flexibility, and delivery. In this study, the influence of the SCM components on tomato export was identified through the use of empirical data that were collected from 20 different tomato companies in Northeast Iran. Using structural equation modeling, the major elements of SCM were found to have significant impacts on the export of tomatoes. The results also showed that information sharing, cooperation, flexibility, quality, and delivery had significant positive effects on the export of tomatoes. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000424803000004 | Publication Date | 2017-03-06 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1045-4446 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 2 | Open Access | ||
Notes | ; ; | Approved | Most recent IF: NA | ||
Call Number | UA @ admin @ c:irua:149044 | Serial | 6192 | ||
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Author | Hrdlickova Kuckova, S.; Hamidi-Asl, E.; Sofer, Z.; Marvan, P.; De Wael, K.; Sanyova, J.; Janssens, K. | ||||
Title | A simplified protocol for usage of new immuno-SERS probes for detection of casein, collagens and ovalbumin in cross-sections of artworks | Type | A1 Journal article | ||
Year | 2018 | Publication | Analytical methods | Abbreviated Journal | Anal Methods-Uk |
Volume | 10 | Issue | 9 | Pages | 1054-1062 |
Keywords | A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract ![]() |
Although it is now relatively straightforward to identify protein binders in works of art, their proper localization within the corresponding layer still represents a significant analytical challenge. Until now, the identification of proteins has mainly been performed by peptide mass fingerprinting using mass spectrometric methods and their localization in polished paint cross-sections have been realized by optical microscopy via the use of fluorescent stain Sypro Ruby (SR). In this work we propose a simplified protocol for immuno-surface enhanced Raman scattering (immuno-SERS) using gold nanoparticles attached to biphenyl-4,4-dithiol (BPDT) as the SERS-nanotag. These nanoparticles are easily obtainable in the lab and have been used to label multilayered mock up samples prepared as cross-sections to estimate the detection limits of the suggested method. The layers contain egg, casein, and different animal glues binders (prepared in various ratios with linseed oil or a carbohydrate component) mixed with the pigments azurite, vermilion and chalk. The sensitivity of staining agent SR is compared to that of the immuno-SERS protocol for the first time. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000426696100017 | Publication Date | 2018-02-02 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1759-9660 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.9 | Times cited | 3 | Open Access | |
Notes | ; The authors wish to acknowledge the Fund for Scientific Research-Flanders (FWO-Vlaanderen) for the support to act as a Postdoctoral Fellow – Pegasus of the Research Foundation – Flanders, and the grant from Specific University research (MSMT No. 20/2017) from the Czech Republic. This work was supported by the project Advanced Functional Nanorobots (reg. No. CZ.02.1.01/0.0/0.0/15_003/ 0000444 financed by the EFRR). Zdenek Sofer and Petr Marvan were supported by specific university research (MSMT No. 20-SVV/2018). ; | Approved | Most recent IF: 1.9 | ||
Call Number | UA @ admin @ c:irua:148803 | Serial | 5831 | ||
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Author | Idrissi, H.; Renard, K.; Ryelandt, L.; Schryvers, D.; Jacques, P.J. | ||||
Title | On the mechanism of twin formation in FeMnC TWIP steels | Type | A1 Journal article | ||
Year | 2010 | Publication | Acta materialia | Abbreviated Journal | Acta Mater |
Volume | 58 | Issue | 7 | Pages | 2464-2476 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Although it is well known that FeMnC TWIP steels exhibit high work-hardening rates, the elementary twinning mechanisms controlling the plastic deformation of these steels have still not been characterized. The aim of the present study is to analyse the extended defects related to the twinning occurrence using transmission electron microscopy. Based on these observations, the very early stage of twin nucleation can be attributed to the pole mechanism with deviation proposed by Cohen and Weertman or to the model of Miura, Takamura and Narita, while the twin growth is controlled by the pole mechanism proposed by Venables. High densities of sessile Frank dislocations are observed within the twins at the early stage of deformation, which can affect the growth and the stability of the twins, but also the strength of these twins and their interactions with the gliding dislocations present in the matrix. This experimental evidence is discussed and compared to recent results in order to relate the defects analysis to the macroscopic behaviour of this category of material. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Oxford | Editor | ||
Language | Wos | 000276523200018 | Publication Date | 2010-01-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1359-6454; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 5.301 | Times cited | 244 | Open Access | |
Notes | Iap | Approved | Most recent IF: 5.301; 2010 IF: 3.791 | ||
Call Number | UA @ lucian @ c:irua:82270 | Serial | 2441 | ||
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Author | Poulain, R.; Lumbeeck, G.; Hunka, J.; Proost, J.; Savolainen, H.; Idrissi, H.; Schryvers, D.; Gauquelin, N.; Klein, A. | ||||
Title | Electronic and chemical properties of nickel oxide thin films and the intrinsic defects compensation mechanism | Type | A1 Journal article | ||
Year | 2022 | Publication | ACS applied electronic materials | Abbreviated Journal | |
Volume | 4 | Issue | 6 | Pages | 2718-2728 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Although largely studied, contradictory results on nickel oxide (NiO) properties can be found in the literature. We herein propose a comprehensive study that aims at leveling contradictions related to NiO materials with a focus on its conductivity, surface properties, and the intrinsic charge defects compensation mechanism with regards to the conditions preparation. The experiments were performed by in situ photo-electron spectroscopy, electron energy loss spectroscopy, and optical as well as electrical measurements on polycrystalline NiO thin films prepared under various preparation conditions by reactive sputtering. The results show that surface and bulk properties were strongly related to the deposition temperature with in particular the observation of Fermi level pinning, high work function, and unstable oxygen-rich grain boundaries for the thin films produced at room temperature but not at high temperature (>200 degrees C). Finally, this study provides substantial information about surface and bulk NiO properties enabling to unveil the origin of the high electrical conductivity of room temperature NiO thin films and also for supporting a general electronic charge compensation mechanism of intrinsic defects according to the deposition temperature. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000819431200001 | Publication Date | 2022-06-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2637-6113 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | Not_Open_Access | ||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ admin @ c:irua:189555 | Serial | 7081 | ||
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Author | Sathiya, M.; Abakumov, A.M.; Foix, D.; Rousse, G.; Ramesha, K.; Saubanère, M.; Doublet, M. .; Vezin, H.; Laisa, C.P.; Prakash, A.S.; Gonbeau, D.; Van Tendeloo, G.; Tarascon, J.M. | ||||
Title | Origin of voltage decay in high-capacity layered oxide electrodes | Type | A1 Journal article | ||
Year | 2015 | Publication | Nature materials | Abbreviated Journal | Nat Mater |
Volume | 14 | Issue | 14 | Pages | 230-238 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Although Li-rich layered oxides (Li1+xNiyCozMn1−x−y−zO2 > 250 mAh g−1) are attractive electrode materials providing energy densities more than 15% higher than todays commercial Li-ion cells, they suffer from voltage decay on cycling. To elucidate the origin of this phenomenon, we employ chemical substitution in structurally related Li2RuO3 compounds. Li-rich layered Li2Ru1−yTiyO3 phases with capacities of ~240 mAh g−1 exhibit the characteristic voltage decay on cycling. A combination of transmission electron microscopy and X-ray photoelectron spectroscopy studies reveals that the migration of cations between metal layers and Li layers is an intrinsic feature of the chargedischarge process that increases the trapping of metal ions in interstitial tetrahedral sites. A correlation between these trapped ions and the voltage decay is established by expanding the study to both Li2Ru1−ySnyO3 and Li2RuO3; the slowest decay occurs for the cations with the largest ionic radii. This effect is robust, and the finding provides insights into new chemistry to be explored for developing high-capacity layered electrodes that evade voltage decay. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000348600200024 | Publication Date | 2014-12-01 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1476-1122;1476-4660; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 39.737 | Times cited | 395 | Open Access | |
Notes | 246791 Countatoms; 312483 Esteem2; esteem2_ta | Approved | Most recent IF: 39.737; 2015 IF: 36.503 | ||
Call Number | c:irua:132555 c:irua:132555 | Serial | 2528 | ||
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Author | Wang, L.; Shi, P.; Chen, L.; Gielis, J.; Niklas, K.J. | ||||
Title | Evidence that Chinese white olive (Canarium album(Lour.) DC.) fruits are solids of revolution | Type | A1 Journal article | ||
Year | 2023 | Publication | Botany letters | Abbreviated Journal | |
Volume | Issue | Pages | 1-7 | ||
Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract ![]() |
Although many fruit geometries resemble a solid of revolution, this assumption has rarely been rigorously examined. To test this assumption, 574 fruits of Canarium album (Lour.) DC. which appear to have an ellipsoidal shape, were examined to determine the validity of a general avian-based egg-shape equation, referred to as the explicit Preston equation (EPE). The assumption that the C. album fruit geometry is a solid of revolution is tested by applying the volume formula for a solid of revolution using the EPE. The goodness of fit of the EPE was assessed using the adjusted root-mean-square error (RMSEadj). The relationship between the observed volume (Vobs) of each fruit, as measured by water displacement in a graduated cylinder, and the predicted volumes (Vpre) based on the EPE was also evaluated using the equation Vpre = slope * Vobs. All the RMSEadj values were smaller than 0.05, which demonstrated the validity of the EPE based on C. album fruit profiles. The 95% confidence interval of the slope of Vpre vs. Vobs included 1.0, indicating that there was no significant difference between Vpre and Vobs. The data confirm that C. album fruits are solids of revolution. This study provides a new approach for calculating the volume and surface area of geometrically similar fruits, which can be extended to other species with similar fruit geometries to further explore the ontogeny and evolution of angiosperm reproductive organs. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 001033135400001 | Publication Date | 2023-07-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2381-8107; 2381-8115 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.5 | Times cited | Open Access | Not_Open_Access: Available from 24.01.2024 | |
Notes | Approved | Most recent IF: 1.5; 2023 IF: NA | |||
Call Number | UA @ admin @ c:irua:198001 | Serial | 8864 | ||
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Author | Daele, K.V.; Arenas‐Esteban, D.; Choukroun, D.; Hoekx, S.; Rossen, A.; Daems, N.; Pant, D.; Bals, S.; Breugelmans, T. | ||||
Title | Enhanced Pomegranate‐Structured SnO2Electrocatalysts for the Electrochemical CO2Reduction to Formate | Type | A1 Journal article | ||
Year | 2023 | Publication | ChemElectroChem | Abbreviated Journal | |
Volume | Issue | Pages | |||
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) | ||||
Abstract ![]() |
Although most state-of-the-art Sn-based electrocatalysts yield promising results in terms of selectivity and catalyst activity, their stability remains insufficient to date. Here, we demonstrate the successful application of the recently developed pomegranate-structured SnO2 (Pom. SnO2) and SnO2@C (Pom. SnO2@C) nanocomposite electrocatalysts for the efficient electrochemical conversion of CO2 to formate. With an initial selectivity of 83 and 86% towards formate and an operating potential of -0.72 V and -0.64 V vs. RHE, respectively, these pomegranate SnO2 electrocatalysts are able to compete with most of the current state-of-the-art Sn-based electrocatalysts in terms of activity and selectivity. Given the importance of electrocatalyst stability, long-term experiments (24 h) were performed and a temporary loss in selectivity for the Pom. SnO2@C electrocatalyst was largely restored to its initial selectivity upon drying and exposure to air. Of all the used (24 h) electrocatalysts, the pomegranate SnO2@C had the highest selectivity over a time period of one hour, reaching an average recovered FE of 85%, while the commercial SnO2 and bare pomegranate SnO2 electrocatalysts reached an average of 79 and 80% FE towards formate, respectively. Furthermore, the pomegranate structure of Pom. SnO2@C was largely preserved due to the presence of the heterogeneous carbon shell, which acts as a protective layer, physically inhibiting particle segregation/pulverisation and agglomeration. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000936694800001 | Publication Date | 2023-02-15 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2196-0216 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 4 | Times cited | Open Access | OpenAccess | |
Notes | European Regional Development Fund, E2C 2S03-019 ; | Approved | Most recent IF: 4; 2023 IF: 4.136 | ||
Call Number | EMAT @ emat @c:irua:195228 | Serial | 7249 | ||
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Author | Zhang, Q.-Z.; Bogaerts, A. | ||||
Title | Propagation of a plasma streamer in catalyst pores | Type | A1 Journal article | ||
Year | 2018 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 27 | Issue | 3 | Pages | 035009 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
Although plasma catalysis is gaining increasing interest for various environmental applications, the underlying mechanisms are still far from understood. For instance, it is not yet clear whether and how plasma streamers can propagate in catalyst pores, and what is the minimum pore size to make this happen. As this is crucial information to ensure good plasma-catalyst interaction, we study here the mechanism of plasma streamer propagation in a catalyst pore, by means of a twodimensional particle-in-cell/Monte Carlo collision model, for various pore diameters in the nm range to μm-range. The so-called Debye length is an important criterion for plasma penetration into catalyst pores, i.e. a plasma streamer can penetrate into pores when their diameter is larger than the Debye length. The Debye length is typically in the order of a few 100 nm up to 1 μm at the conditions under study, depending on electron density and temperature in the plasma streamer. For pores in the range of ∼50 nm, plasma can thus only penetrate to some extent and at very short times, i.e. at the beginning of a micro-discharge, before the actual plasma streamer reaches the catalyst surface and a sheath is formed in front of the surface. We can make plasma streamers penetrate into smaller pores (down to ca. 500 nm at the conditions under study) by increasing the applied voltage, which yields a higher plasma density, and thus reduces the Debye length. Our simulations also reveal that the plasma streamers induce surface charging of the catalyst pore sidewalls, causing discharge enhancement inside the pore, depending on pore diameter and depth. |
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000427976800001 | Publication Date | 2018-03-20 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1361-6595 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.302 | Times cited | 16 | Open Access | OpenAccess |
Notes | We acknowledge financial support from the European Marie Skłodowska-Curie Individual Fellowship within H2020 (Grant Agreement 702604) and from the Fund for Scientific Research Flanders (FWO) (Excellence of Science Program; EOS ID 30505023). This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. | Approved | Most recent IF: 3.302 | ||
Call Number | PLASMANT @ plasmant @c:irua:150877 | Serial | 4954 | ||
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Author | Nematollahi, P.; Barbiellini, B.; Bansil, A.; Lamoen, D.; Qingying, J.; Mukerjee, S.; Neyts, E.C. | ||||
Title | Identification of a Robust and Durable FeN4CxCatalyst for ORR in PEM Fuel Cells and the Role of the Fifth Ligand | Type | A1 Journal article | ||
Year | 2022 | Publication | ACS catalysis | Abbreviated Journal | Acs Catal |
Volume | Issue | Pages | 7541-7549 | ||
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
Although recent studies have advanced the understanding of pyrolyzed Fe−N−C materials as oxygen reduction reaction (ORR) catalysts, the atomic and electronic structures of the active sites and their detailed reaction mechanisms still remain unknown. Here, based on first-principles density functional theory (DFT) computations, we discuss the electronic structures of three FeN4 catalytic centers with different local topologies of the surrounding C atoms with a focus on unraveling the mechanism of their ORR activity in acidic electrolytes. Our study brings back a forgotten, synthesized pyridinic Fe−N coordinate to the community’s attention, demonstrating that this catalyst can exhibit excellent activity for promoting direct four-electron ORR through the addition of a fifth ligand such as −NH2, −OH, and −SO4. We also identify sites with good stability properties through the combined use of our DFT calculations and Mössbauer spectroscopy data. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000823193100001 | Publication Date | 2022-06-10 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2155-5435 | ISBN | Additional Links | UA library record; WoS full record; WoS full record; WoS citing articles | |
Impact Factor | 12.9 | Times cited | Open Access | OpenAccess | |
Notes | Basic Energy Sciences, DE-FG02-07ER46352 ; Fonds Wetenschappelijk Onderzoek, 1261721N ; Opetus- ja Kulttuuriministeri?; Department of Energy, DE-EE0008416 ; | Approved | Most recent IF: 12.9 | ||
Call Number | EMAT @ emat @c:irua:189000 | Serial | 7073 | ||
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Author | Nematollahi, P.; Neyts, E.C. | ||||
Title | Identification of a unique pyridinic FeN4Cx electrocatalyst for N₂ reduction : tailoring the coordination and carbon topologies | Type | A1 Journal article | ||
Year | 2022 | Publication | Journal Of Physical Chemistry C | Abbreviated Journal | J Phys Chem C |
Volume | 126 | Issue | 34 | Pages | 14460-14469 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
Although the heterogeneity of pyrolyzed Fe???N???C materials is known and has been reported previously, the atomic structure of the active sites and their detailed reaction mechanisms are still unknown. Here, we identified two pyridinic Fe???N4-like centers with different local C coordinates, i.e., FeN4C8 and FeN4C10, and studied their electrocatalytic activity for the nitrogen reduction reaction (NRR) based on density functional theory (DFT) calculations. We also discovered the influence of the adsorption of NH2 as a functional ligand on catalyst performance on the NRR. We confirmed that the NRR selectivity of the studied catalysts is essentially governed either by the local C coordination or by the dynamic structure associated with the FeII/FeIII. Our investigations indicate that the proposed traditional pyridinic FeN4C10 has higher catalytic activity and selectivity for the NRR than the robust FeN4C8 catalyst, while it may have outstanding activity for promoting other (electro)catalytic reactions. <comment>Superscript/Subscript Available</comment | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000859545200001 | Publication Date | 2022-08-17 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1932-7447; 1932-7455 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 3.7 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 3.7 | |||
Call Number | UA @ admin @ c:irua:191469 | Serial | 7268 | ||
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Author | Verheyen, E.; Joos, L.; Van Havenbergh, K.; Breynaert, E.; Kasian, N.; Gobechiya, E.; Houthoofd, K.; Martineau, C.; Hinterstein, M.; Taulelle, F.; Van Speybroeck, V.; Waroquier, M.; Bals, S.; Van Tendeloo, G.; Kirschhock, C.E.A.; Martens, J.A.; | ||||
Title | Design of zeolite by inverse sigma transformation | Type | A1 Journal article | ||
Year | 2012 | Publication | Nature materials | Abbreviated Journal | Nat Mater |
Volume | 11 | Issue | 12 | Pages | 1059-1064 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Although the search for new zeolites has traditionally been based on trial and error, more rational methods are now available. The theoretical concept of inverse transformation of a zeolite framework to generate a new structure by removal of a layer of framework atoms and contraction has for the first time been achieved experimentally. The reactivity of framework germanium atoms in strong mineral acid was exploited to selectively remove germanium-containing four-ring units from an UTL type germanosilicate zeolite. Annealing of the leached framework through calcination led to the new all-silica COK-14 zeolite with intersecting 12- and 10-membered ring channel systems. An intermediate stage of this inverse transformation with dislodged germanate four-rings still residing in the pores could be demonstrated. Inverse transformation involving elimination of germanium-containing structural units opens perspectives for the synthesis of many more zeolites. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000311432600025 | Publication Date | 2012-10-19 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1476-1122;1476-4660; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 39.737 | Times cited | 140 | Open Access | |
Notes | Fwo | Approved | Most recent IF: 39.737; 2012 IF: 35.749 | ||
Call Number | UA @ lucian @ c:irua:101783 | Serial | 661 | ||
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Author | Derks, K.; van der Snickt, G.; Legrand, S.; van der Stighelen, K.; Janssens, K. | ||||
Title | The dark halo technique in the oeuvre of Michael Sweerts and other Flemish and Dutch baroque painters. A 17th c. empirical solution to mitigate the optical 'simultaneous contrast' effect? | Type | A1 Journal article | ||
Year | 2022 | Publication | Heritage science | Abbreviated Journal | |
Volume | 10 | Issue | 1 | Pages | 5 |
Keywords | A1 Journal article; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS) | ||||
Abstract ![]() |
Although the topic is rarely addressed in literature, a significant number of baroque paintings exhibit dark, halo-like shapes around the contours of the dramatis personae. Close examination of both finished and unfinished works suggests that this intriguing feature was a practical tool that helped the artist in the early painting stages. When applying the final brushwork, the halo lost its function, with some artists undertaking efforts to hide it. Although their visibility might not have been intended by the artists, today this dark paint beneath the surface is partially visible through the upper paint layers. Moreover, the disclosure of many halos using infrared photography (IRP), infrared reflectography (IRR) and macro X-ray fluorescence imaging (MA-XRF), additional to those that can be observed visually, suggests that this was a common and established element of 17th-century painting practice in Western Europe. Building on an existing hypothesis, we argue that halos can be considered as a solution to an optical problem that arose when baroque painters reversed the traditional, 15th- and 16th-century painting sequence of working from background to foreground. Instead, they started with the dominant parts of a composition, such as the face of a sitter. In that case, a temporary halo can provide the essential tonal reference to anticipate the chromatic impact of the final dark colored background on the adjacent delicate carnations. In particular, we attempt to clarify the prevalence of dark halos as a response to optical effects such as 'simultaneous contrast' and 'the crispening effect', described in literature only centuries later. As such, the recently termed 'ring condition' can be seen as the present-day equivalent of the 'halo solution' that was seemingly empirically or intuitively developed by 17th-century artists. Modern studies in visual perception proves that by laying a black ring around a target color, the optical impact of a surrounding color can be efficiently neutralized. Finally, by delving into works by Michael Sweerts, it becomes clear that resourceful artists might have adapted the halo technique and the underlying principles to their individual challenges, such as dealing with differently colored grounds. | ||||
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Language | Wos | 000739965700001 | Publication Date | 2022-01-07 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 2050-7445 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.5 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 2.5 | |||
Call Number | UA @ admin @ c:irua:185458 | Serial | 7217 | ||
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Author | Van der Donck, M.; Conti, S.; Perali, A.; Hamilton, A.R.; Partoens, B.; Peeters, F.M.; Neilson, D. | ||||
Title | Three-dimensional electron-hole superfluidity in a superlattice close to room temperature | Type | A1 Journal article | ||
Year | 2020 | Publication | Physical Review B | Abbreviated Journal | Phys Rev B |
Volume | 102 | Issue | 6 | Pages | 060503 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract ![]() |
Although there is strong theoretical and experimental evidence for electron-hole superfluidity in separated sheets of electrons and holes at low T, extending superfluidity to high T is limited by strong two-dimensional fluctuations and Kosterlitz-Thouless effects. We show this limitation can be overcome using a superlattice of alternating electron- and hole-doped semiconductor monolayers. The superfluid transition in a three-dimensional superlattice is not topological, and for strong electron-hole pair coupling, the transition temperature T-c can be at room temperature. As a quantitative illustration, we show T-c can reach 270 K for a superfluid in a realistic superlattice of transition metal dichalcogenide monolayers. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000562320700001 | Publication Date | 2020-08-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
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 | 8 | Open Access | |
Notes | ; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for M.V.d.D., by the FLAG-ERA project TRANS-2D-TMD, and by the Australian Government through the Australian Research Council Centre of Excellence in Future Low-Energy Electronics (Project No. CE170100039). We thank Milorad V. Milossevi ' c, Pierbiagio Pieri, and Jacques Tempere for helpful discussions. ; | Approved | Most recent IF: 3.7; 2020 IF: 3.836 | ||
Call Number | UA @ admin @ c:irua:172064 | Serial | 6628 | ||
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Author | Meng, X.; Chen, S.; Peng, H.; Bai, H.; Zhang, S.; Su, X.; Tan, G.; Van Tendeloo, G.; Sun, Z.; Zhang, Q.; Tang, X.; Wu, J. | ||||
Title | Ferroelectric engineering : enhanced thermoelectric performance by local structural heterogeneity | Type | A1 Journal article | ||
Year | 2022 | Publication | Science China : materials | Abbreviated Journal | Sci China Mater |
Volume | Issue | Pages | |||
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Although traditional ferroelectric materials are usually dielectric and nonconductive, GeTe is a typical ferroelectric semiconductor, possessing both ferroelectric and semiconducting properties. GeTe is also a widely studied thermoelectric material, whose performance has been optimized by doping with various elements. However, the impact of the ferroelectric domains on the thermoelectric properties remains unclear due to the difficulty to directly observe the ferroelectric domains and their evolutions under actual working conditions where the material is exposed to high temperatures and electric currents. Herein, based on in-situ investigations of the ferroelectric domains and domain walls in both pure and Sb-doped GeTe crystals, we have been able to analyze the dynamic evolution of the ferroelectric domains and domain walls, exposed to an electric field and temperature. Local structural heterogeneities and nano-sized ferroelectric domains are generated due to the interplay of the Sb3+ dopant and the Ge-vacancies, leading to the increased number of charged domain walls and a much improved thermoelectric performance. This work reveals the fundamental mechanism of ferroelectric thermoelectrics and provides insights into the decoupling of previously interdependent properties such as thermo-power and electrical conductivity. | ||||
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Language | Wos | 000749973500001 | Publication Date | 2022-02-02 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 2095-8226; 2199-4501 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 8.1 | Times cited | Open Access | Not_Open_Access | |
Notes | Approved | Most recent IF: 8.1 | |||
Call Number | UA @ admin @ c:irua:186429 | Serial | 6959 | ||
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Author | Verduyckt, J.; Van Hoof, M.; De Schouwer, F.; Wolberg, M.; Kurttepeli, M.; Eloy, P.; Gaigneaux, E.M.; Bals, S.; Kirschhock, C.E.A.; De Vos, D.E. | ||||
Title | PdPb-catalyzed decarboxylation of proline to pyrrolidine : highly selective formation of a biobased amine in water | Type | A1 Journal article | ||
Year | 2016 | Publication | ACS catalysis | Abbreviated Journal | Acs Catal |
Volume | 6 | Issue | 6 | Pages | 7303-7310 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Amino acids have huge potential as platform chemicals in the biobased industry. Pd-catalyzed decarboxylation is a very promising route for the valorization of these natural compounds derived from protein waste or fermentation. We report that the highly abundant and nonessential amino acid L-proline is very reactive in the Pd-catalyzed decarboxylation. Full conversions are obtained with Pd/C and different Pd/MeOx catalysts; this allowed the identification of the different side reactions and the mapping of the reaction network. Due to the high reactivity of pyrrolidine, the selectivity for pyrrolidine was initially low. By carefully modifying Pd/ZrO2 with Pb in a controlled manner-via two incipient wetness impregnation steps-the selectivity increased remarkably. Finally, a thorough investigation of the reaction parameters resulted in an increased activity of this modified catalyst and an even further enhanced selectivity under a low H-2 pressure of 4 bar at 235 degrees C in water. This results in a very selective and sustainable production route for the highly interesting pyrrolidine. | ||||
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Language | Wos | 000387306100005 | Publication Date | 2016-09-16 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 2155-5435 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 10.614 | Times cited | 27 | Open Access | OpenAccess |
Notes | ; J.V. and F.D.S. thank Fonds Wetenschappelijk Onderzoek (FWO) and Agency for Innovation by Science and Technology (IWT) for doctoral fellowships. D.D.V. acknowledges IWT and FWO for research project funding. D.D.V. and C.E.A.K. acknowledge the Flemish government for long-term structural funding through Methusalem. D.D.V. and S.B. acknowledge Belspo (IAP-PAI 7/05) for financial support. S.B. is grateful for funding by the European Research Council (ERC starting grant no. 335078-COLOURATOMS). The authors also thank the Department of Chemistry, University of Cologne, Germany for use of their XRD equipment. Finally, the assistance of Karel Duerinckx, Werner Wouters, Walter Vermandel, Ivo Stassen, Dries Jonckheere, Sabina Accardo and Bart Bueken with 11-1 NMR, pressure reactors, CO chemisorption, N<INF>2</INF> physisorption, SEM, gas phase FTIR and high-throughput XRD, respectively, is very much appreciated. ; ecas_Sara | Approved | Most recent IF: 10.614 | ||
Call Number | UA @ lucian @ c:irua:139171 | Serial | 4445 | ||
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Author | Hoffman, B.M.; Lukoyanov, D.; Yang, Z.-Y.; Dean, D.R.; Seefeldt, L.C. | ||||
Title | Mechanism of Nitrogen Fixation by Nitrogenase: The Next Stage | Type | A1 Journal Article | ||
Year | 2014 | Publication | Chemical Reviews | Abbreviated Journal | Chem. Rev. |
Volume | 114 | Issue | 8 | Pages | 4041-4062 |
Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
Abstract ![]() |
Ammonia is a crucial nutrient used for plant growth and as a building block in pharmaceutical and chemical industry, produced via nitrogen fixation of the ubiquitous atmospheric N2. Current industrial ammonia production relies heavily on fossil resources, but a lot of work is put into developing non-fossil based pathways. Among these is the use of nonequilibrium plasma. In this work, we investigated water vapor as H source for nitrogen fixation into NH3 by non-equilibrium plasma. The highest selectivity towards NH3 was observed with low amounts of added H2O vapor, but the highest production rate was reached at high H2O vapor. | ||||
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Language | Wos | Publication Date | 2014-04-23 | ||
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ISSN | 0009-2665 | ISBN | Additional Links | ||
Impact Factor | Times cited | Open Access | |||
Notes | We would like to thank Sylvia Dewilde (Department of Biomedical Sciences) for providing analytical equipment. | Approved | no | ||
Call Number | PLASMANT @ plasmant @ | Serial | 6337 | ||
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Author | Gorbanev, Y.; Vervloessem, E.; Nikiforov, A.; Bogaerts, A. | ||||
Title | Nitrogen fixation with water vapor by nonequilibrium plasma : toward sustainable ammonia production | Type | A1 Journal article | ||
Year | 2020 | Publication | Acs Sustainable Chemistry & Engineering | Abbreviated Journal | Acs Sustain Chem Eng |
Volume | 8 | Issue | 7 | Pages | 2996-3004 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
Ammonia is a crucial nutrient used for plant growth and as a building block in the pharmaceutical and chemical industry, produced via nitrogen fixation of the ubiquitous atmospheric N2. Current industrial ammonia production relies heavily on fossil resources, but a lot of work is put into developing nonfossil-based pathways. Among these is the use of nonequilibrium plasma. In this work, we investigated water vapor as a H source for nitrogen fixation into NH3 by nonequilibrium plasma. The highest selectivity toward NH3 was observed with low amounts of added H2O vapor, but the highest production rate was reached at high H2O vapor contents. We also studied the role of H2O vapor and of the plasma-exposed liquid H2O in nitrogen fixation by using isotopically labeled water to distinguish between these two sources of H2O. We show that added H2O vapor, and not liquid H2O, is the main source of H for NH3 generation. The studied catalyst- and H2-free method offers excellent selectivity toward NH3 (up to 96%), with energy consumption (ca. 95–118 MJ/mol) in the range of many plasma-catalytic H2-utilizing processes. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000516665500045 | Publication Date | 2020-02-03 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 2168-0485 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 8.4 | Times cited | 14 | Open Access | |
Notes | ; This research was supported by the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023), the Catalisti Moonshot project P2C, and the Methusalem project of the University of Antwerp. ; | Approved | Most recent IF: 8.4; 2020 IF: 5.951 | ||
Call Number | UA @ admin @ c:irua:167134 | Serial | 6568 | ||
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Author | Hollevoet, L.; Jardali, F.; Gorbanev, Y.; Creel, J.; Bogaerts, A.; Martens, J.A. | ||||
Title | Towards green ammonia synthesis through plasma-driven nitrogen oxidation and catalytic reduction | Type | A1 Journal article | ||
Year | 2020 | Publication | Angewandte Chemie-International Edition | Abbreviated Journal | Angew Chem Int Edit |
Volume | Issue | Pages | |||
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
Ammonia is an industrial large-volume chemical, with its main application in fertilizer production. It also attracts increasing attention as a green-energy vector. Over the past century, ammonia production has been dominated by the Haber-Bosch process, in which a mixture of nitrogen and hydrogen gas is converted to ammonia at high temperatures and pressures. Haber-Bosch processes with natural gas as the source of hydrogen are responsible for a significant share of the global CO(2)emissions. Processes involving plasma are currently being investigated as an alternative for decentralized ammonia production powered by renewable energy sources. In this work, we present the PNOCRA process (plasma nitrogen oxidation and catalytic reduction to ammonia), combining plasma-assisted nitrogen oxidation and lean NO(x)trap technology, adopted from diesel-engine exhaust gas aftertreatment technology. PNOCRA achieves an energy requirement of 4.6 MJ mol(-1)NH(3), which is more than four times less than the state-of-the-art plasma-enabled ammonia synthesis from N(2)and H(2)with reasonable yield (>1 %). | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000580489400001 | Publication Date | 2020-09-21 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1433-7851; 0570-0833 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 16.6 | Times cited | 1 | Open Access | |
Notes | ; We gratefully acknowledge the financial support by the Flemish Government through the Moonshot cSBO project P2C (HBC.2019.0108). J.A.M. and A.B. acknowledge the Flemish Government for long-term structural funding (Methusalem). ; | Approved | Most recent IF: 16.6; 2020 IF: 11.994 | ||
Call Number | UA @ admin @ c:irua:173589 | Serial | 6634 | ||
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