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Author Gropp, C.; Canossa, S.; Wuttke, S.; Gándara, F.; Li, Q.; Gagliardi, L.; Yaghi, O.M.
  Title Standard Practices of Reticular Chemistry Type A1 Journal article
  Year 2020 Publication Acs Central Science Abbreviated Journal Acs Central Sci
  Volume 6 Issue 8 Pages 1255-1273
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract (down) Since 1995 when the first of metal−organic frameworks was crystallized with the strong bond approach, where metal ions are joined by charged organic linkers exemplified by carboxylates, followed by proof of their porosity in 1998 and ultrahigh porosity in 1999, a revolution in the development of their chemistry has ensued. This is being reinforced by the discovery of two- and three-dimensional covalent organic frameworks in 2005 and 2007. Currently, the chemistry of such porous, crystalline frameworks is collectively referred to as reticular chemistry, which is being practiced in over 100 countries. The involvement of researchers from various backgrounds and fields, and the vast scope of this chemistry and its societal applications, necessitate articulating the “Standard Practices of Reticular Chemistry”.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000566668400005 Publication Date 2020-08-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2374-7943 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 18.2 Times cited Open Access OpenAccess
  Notes S.C. acknowledges the Research Foundation Flanders (FWO) for supporting his research (Project 12ZV120N). Approved Most recent IF: 18.2; 2020 IF: 7.481
  Call Number EMAT @ emat @c:irua:172057 Serial 6423
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Author Mishra, V.K.; Kumar, P.; Van Poppel, M.; Bleux, N.; Frijns, E.; Reggente, M.; Berghmans, P.; Int Panis, L.; Samson, R.
  Title Wintertime spatio-temporal variation of ultrafine particles in a Belgian city Type A1 Journal article
  Year 2012 Publication The science of the total environment Abbreviated Journal
  Volume 431 Issue Pages 307-313
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract (down) Simultaneous measurements of ultrafine particles (UFPs) were carried out at four sampling locations situated within a 1 km(2) grid area in a Belgian city, Borgerhout (Antwerp). All sampling sites had different orientation and height of buildings and dissimilar levels of anthropogenic activities (mainly traffic volume). The aims were to investigate: (i) the spatio-temporal variation of UFP within the area, (ii) the effect of wind direction with respect to the volume of traffic on UFP levels, and (iii) the spatial representativeness of the official monitoring station situated in the study area. All sampling sites followed similar diurnal patterns of UFP variation, but effects of local traffic emissions were evident. Wind direction also had a profound influence on UFP concentrations at certain sites. The results indicated a clear influence of local weather conditions and the more dominant effect of traffic volumes. Our analysis indicated that the regional air quality monitoring station represented the other sampling sites in the study area reasonably well; temporal patterns were found to be comparable though the absolute average concentrations showed differences of up to 35%. (C) 2012 Elsevier B.V. All rights reserved.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000306887900037 Publication Date 2012-06-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0048-9697; 1879-1026 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:101123 Serial 8759
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Author Bakalov, P.; Esfahani, D.N.; Covaci, L.; Peeters, F.M.; Tempere, J.; Locquet, J.-P.
  Title Electric-field-driven Mott metal-insulator transition in correlated thin films : an inhomogeneous dynamical mean-field theory approach Type A1 Journal article
  Year 2016 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 93 Issue 93 Pages 165112
  Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
  Abstract (down) Simulations are carried out based on the dynamical mean-field theory (DMFT) in order to investigate the properties of correlated thin films for various values of the chemical potential, temperature, interaction strength, and applied transverse electric field. Application of a sufficiently strong field to a thin film at half filling leads to the appearance of conducting regions near the surfaces of the film, whereas in doped slabs the application of a field leads to a conductivity enhancement on one side of the film and a gradual transition to the insulating state on the opposite side. In addition to the inhomogeneous DMFT, a local density approximation (LDA) is considered in which the particle density n, quasiparticle residue Z, and spectral weight at the Fermi level A(ω=0) of each layer are approximated by a homogeneous bulk environment. A systematic comparison between the two approaches reveals that the less expensive LDA results are in good agreement with the DMFT approach, except close to the metal-to-insulator transition points and in the layers immediately at the film surfaces. LDA values for n are overall more reliable than those for Z and A(ω=0). The hysteretic behavior (memory effect) characteristic of the bulk doping driven Mott transition persists in the slab.
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  Corporate Author Thesis
  Publisher Place of Publication Lancaster, Pa Editor
  Language Wos 000373572700002 Publication Date 2016-04-09
  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 5 Open Access
  Notes ; This work was partially funded by the Flemish Fund for Scientific Research (FWO Belgium) under FWO Grant No. G.0520.10 and the joint FWF (Austria)-FWO Grant No. GOG6616N, and by the SITOGA FP7 project. Most of the calculations were performed on KU Leuven's ThinKing HPC cluster provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government-department EWI. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:132872 Serial 4167
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Author Filez, M.; Redekop, E.A.; Poelman, H.; Galvita, V.V.; Meledina, M.; Turner, S.; Van Tendeloo, G.; Detavernier, C.; Marin, G.B.
  Title One-pot synthesis of Pt catalysts based on layered double hydroxides: an application in propane dehydrogenation Type A1 Journal article
  Year 2016 Publication Catalysis science & technology Abbreviated Journal Catal Sci Technol
  Volume 6 Issue 6 Pages 1863-1869
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract (down) Simple methods for producing noble metal catalysts with well-defined active sites and improved performance are highly desired in the chemical industry. However, the development of such methods still presents a formidable synthetic challenge. Here, we demonstrate a one-pot synthesis route for the controlled production of bimetallic Pt–In catalysts based on the single-step formation of Mg,Al,Pt,In-containing layered double hydroxides (LDHs). Besides their simple synthesis, these Pt–In catalysts exhibit superior propane dehydrogenation activity compared to their multi-step synthesized analogs. The presented material serves as a showcase for the one-pot synthesis of a broader class of LDH-derived mono- and multimetallic Pt catalysts. The compositional flexibility provided by LDH materials can pave the way towards highperforming Pt-based catalysts with tunable physicochemical properties.
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  Publisher Place of Publication Editor
  Language Wos 000372172800031 Publication Date 2015-10-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2044-4753 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.773 Times cited 12 Open Access
  Notes This work was supported by the Fund for Scientific Research Flanders (FWO: G.0209.11), the ‘Long Term Structural Methusalem Funding by the Flemish Government’, the IAP 7/05 Interuniversity Attraction Poles Programme – Belgian State – Belgian Science Policy, and the Fund for Scientific Research Flanders (FWO-Vlaanderen) by supplying financing of beam time at the DUBBLE beamline of the ESRF and travel costs and a post-doctoral fellowship for S. T. The authors acknowledge the assistance from the DUBBLE (XAS campaign 26-01-979) and SuperXAS staff (Proposal 20131191). E. A. Redekop acknowledges the Marie Curie International Incoming Fellowship granted by the European Commission (Grant Agreement No. 301703). The authors also express their gratitude to O. Janssens for performing ex situ XRD characterization. Approved Most recent IF: 5.773
  Call Number c:irua:133167 Serial 4057
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Author Yang, W.; Misko, V.R.; Tempère, J.; Kong, M.; Peeters, F.M.
  Title Artificial living crystals in confined environment Type A1 Journal article
  Year 2017 Publication Physical Review E Abbreviated Journal Phys Rev E
  Volume 95 Issue 6 Pages 062602
  Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
  Abstract (down) Similar to the spontaneous formation of colonies of bacteria, flocks of birds, or schools of fish, “living crystals” can be formed by artificial self-propelled particles such as Janus colloids. Unlike usual solids, these “crystals” are far from thermodynamic equilibrium. They fluctuate in time forming a crystalline structure, breaking apart and re-forming again. We propose a method to stabilize living crystals by applying a weak confinement potential that does not suppress the ability of the particles to perform self-propelled motion, but it stabilizes the structure and shape of the dynamical clusters. This gives rise to such configurations of living crystals as “living shells” formed by Janus colloids. Moreover, the shape of the stable living clusters can be controlled by tuning the potential strength. Our proposal can be verified experimentally with either artificial microswimmers such as Janus colloids, or with living active matter.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000402667600006 Publication Date 2017-06-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2470-0045;2470-0053; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.366 Times cited 10 Open Access
  Notes ; This work was supported by the “Odysseus” Program of the Flemish Government and the Flemish Research Foundation (FWO-Vl) (Belgium), the Flemish Research Foundation (through Projects No. G.0115.12N, No. G.0119.12N, No. G.0122.12N, and No. G.0429.15N), and the Research Fund of the University of Antwerp. W.Y. acknowledges the support from the National Natural Science Foundation of China under Grants No. 11204199 and No. 51135007, the China Scholarship Council, the 131 project and the Program for the Outstanding Innovative Teams of Higher Learning Institutions of Shanxi, and a project under Grant No. 2016-096 by Shanxi Scholarship Council of China. ; Approved Most recent IF: 2.366
  Call Number UA @ lucian @ c:irua:144205 Serial 4641
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Author Asapu, R.; Ciocarlan, R.-G.; Claes, N.; Blommaerts, N.; Minjauw, M.; Ahmad, T.; Dendooven, J.; Cool, P.; Bals, S.; Denys, S.; Detavernier, C.; Lenaerts, S.; Verbruggen, S.W.
  Title Plasmonic Near-Field Localization of Silver Core–Shell Nanoparticle Assemblies via Wet Chemistry Nanogap Engineering Type A1 Journal article
  Year 2017 Publication ACS applied materials and interfaces Abbreviated Journal Acs Appl Mater Inter
  Volume 9 Issue 9 Pages 41577-41585
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract (down) Silver nanoparticles are widely used in the field of plasmonics because of their unique optical properties. The wavelength-dependent surface plasmon resonance gives rise to a strongly enhanced electromagnetic field, especially at so-called hot spots located in the nanogap in-between metal nanoparticle assemblies. Therefore, the interparticle distance is a decisive factor in plasmonic applications, such as surface-enhanced Raman spectroscopy (SERS). In this study, the aim is to engineer this interparticle distance for silver nanospheres using a convenient wet-chemical approach and to predict and quantify the corresponding enhancement factor using both theoretical and experimental tools. This was done by building a tunable ultrathin polymer shell around the nanoparticles using the layer-by-layer method, in which the polymer shell acts as the separating interparticle spacer layer. Comparison of different theoretical approaches and corroborating the results with SERS analytical experiments using silver and silver−polymer core−shell nanoparticle clusters as SERS substrates was also done. Herewith, an approach is provided to estimate the extent of plasmonic near-field enhancement both theoretically as well as experimentally.
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  Language Wos 000417005900057 Publication Date 2017-11-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1944-8244 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.504 Times cited 29 Open Access OpenAccess
  Notes financial support through a research fellowship. C.D. wishes to thank the Hercules foundation for the financial support (SPINAL). P.C. and R.-G.C. acknowledge financial support by FWO Vlaanderen (project no. G038215N). N.C. and S.B. acknowledge the financial support from the European Research Council (ERC starting grant #335078-COLOURATOM). (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); saraecas; ECAS_Sara; Approved Most recent IF: 7.504
  Call Number EMAT @ emat @c:irua:147243 Serial 4804
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Author Pandey, T.; Peeters, F.M.; Milošević, M.V.
  Title High thermoelectric figure of merit in p-type Mg₃Si₂Te₆: role of multi-valley bands and high anharmonicity Type A1 Journal article
  Year 2023 Publication Journal of materials chemistry C : materials for optical and electronic devices Abbreviated Journal
  Volume 11 Issue 33 Pages 11185-11194
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract (down) Silicon-based materials are attractive for thermoelectric applications due to their thermal stability, chemical inertness, and natural abundance of silicon. Here, using a combination of first-principles and Boltzmann transport calculations we report the thermoelectric properties of the recently synthesized compound Mg3Si2Te6. Our analysis reveals that Mg3Si2Te6 is a direct bandgap semiconductor with a bandgap of 1.6 eV. The combination of heavy and light valence bands, along with a high valley degeneracy, results in a large power factor under p-type doping. We also find that Mg is weakly bonded both within and between the layers, leading to low phonon group velocities. The vibrations of the Mg atoms are localized and make a significant contribution to phonon-phonon scattering. This high anharmonicity, coupled with low phonon group velocity, results in a low lattice thermal conductivity of & kappa;(l) = 0.5 W m(-1) K-1 at room temperature, along the cross-plane direction. Combining excellent electronic transport properties and low & kappa;(l), p-type Mg3Si2Te6 achieves figure-of-merit (zT) values greater than 1 at temperatures above 600 K. Specifically, a zT of 2.0 is found at 900 K along the cross-plane direction. Our findings highlight the importance of structural complexity and chemical bonding in electronic and phonon transport, providing guiding insights for further design of Si-based thermoelectrics.
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  Language Wos 001041124900001 Publication Date 2023-07-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2050-7526; 2050-7534 ISBN Additional Links UA library record; WoS full record
  Impact Factor 6.4 Times cited 1 Open Access Not_Open_Access
  Notes Approved Most recent IF: 6.4; 2023 IF: 5.256
  Call Number UA @ admin @ c:irua:198296 Serial 8821
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Author Godefroo, S.; Hayne, M.; Jivanescu, M.; Stesmans, A.; Zacharias, M.; Lebedev, O.I.; Van Tendeloo, G.; Moshchalkov, V.V.
  Title Classification and control of the origin of photoluminescence from Si nanocrystals Type A1 Journal article
  Year 2008 Publication Nature nanotechnology Abbreviated Journal Nat Nanotechnol
  Volume 3 Issue 3 Pages 174-178
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract (down) Silicon dominates the electronics industry, but its poor optical properties mean that III-V compound semiconductors are preferred for photonics applications. Photoluminescence at visible wavelengths was observed from porous Si at room temperature in 1990, but the origin of these photons (do they arise from highly localized defect states or quantum confinement effects?) has been the subject of intense debate ever since. Attention has subsequently shifted from porous Si to Si nanocrystals, but the same fundamental question about the origin of the photoluminescence has remained. Here we show, based on measurements in high magnetic fields, that defects are the dominant source of light from Si nanocrystals. Moreover, we show that it is possible to control the origin of the photoluminescence in a single sample: passivation with hydrogen removes the defects, resulting in photoluminescence from quantum-confined states, but subsequent ultraviolet illumination reintroduces the defects, making them the origin of the light again.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000254743600017 Publication Date 2008-03-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1748-3387;1748-3395; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 38.986 Times cited 426 Open Access
  Notes Fwo Approved Most recent IF: 38.986; 2008 IF: 20.571
  Call Number UA @ lucian @ c:irua:102630 Serial 373
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Author Houssa, M.; van den Broek, B.; Scalise, E.; Ealet, B.; Pourtois, G.; Chiappe, D.; Cinquanta, E.; Grazianetti, C.; Fanciulli, M.; Molle, A.; Afanas’ev, V.V.; Stesmans, A.;
  Title Theoretical aspects of graphene-like group IV semiconductors Type A1 Journal article
  Year 2014 Publication Applied surface science Abbreviated Journal Appl Surf Sci
  Volume 291 Issue Pages 98-103
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract (down) Silicene and germanene are the silicon and germanium counterparts of graphene, respectively. Recent experimental works have reported the growth of silicene on (1 1 1)Ag surfaces with different atomic configurations, depending on the growth temperature and surface coverage. We first theoretically study the structural and electronic properties of silicene on (1 1 1) Ag surfaces, focusing on the (4 x 4) silicene/Ag structure. Due to symmetry breaking in the silicene layer (nonequivalent number of top and bottom Si atoms), the corrugated silicene layer, with the Ag substrate removed, is predicted to be semiconducting, with a computed energy bandgap of about 0.3 eV. However, the hybridization between the Si 3p orbitals and the Ag 5s orbital in the silicene/(1 1 1)Ag slab model leads to an overall metallic system, with a distribution of local electronic density of states, which is related to the slightly disordered structure of the silicene layer on the (1 1 1)Ag surface. We next study the interaction of silicene and germanene with different hexagonal non-metallic substrates, namely ZnS and ZnSe. On reconstructed (0 0 0 1)ZnS or ZnSe surfaces, which should be more energetically stable for very thin layers, silicene and germanene are found to be semiconducting. Remarkably, the nature and magnitude of their energy bandgap can be controlled by an out-of-plane electric field, an important finding for the potential use of these materials in nanoelectronic devices. (C) 2013 Elsevier B. V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000329327700022 Publication Date 2013-09-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0169-4332; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.387 Times cited 20 Open Access
  Notes Approved Most recent IF: 3.387; 2014 IF: 2.711
  Call Number UA @ lucian @ c:irua:113765 Serial 3603
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Author Li, C.; Sanli, E.S.; Barragan-Yani, D.; Stange, H.; Heinemann, M.-D.; Greiner, D.; Sigle, W.; Mainz, R.; Albe, K.; Abou-Ras, D.; van Aken, P. A.
  Title Secondary-Phase-Assisted Grain Boundary Migration in CuInSe2 Type A1 Journal article
  Year 2020 Publication Physical Review Letters Abbreviated Journal Phys Rev Lett
  Volume 124 Issue 9 Pages 095702
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract (down) Significant structural evolution occurs during the deposition of CuInSe2 solar materials when the Cu content increases. We use in situ heating in a scanning transmission electron microscope to directly observe how grain boundaries migrate during heating, causing nondefected grains to consume highly defected grains. Cu substitutes for In in the near grain boundary regions, turning them into a Cu-Se phase topotactic with the CuInSe2 grain interiors. Together with density functional theory and molecular dynamics calculations, we reveal how this Cu-Se phase makes the grain boundaries highly mobile.
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  Corporate Author Thesis
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  Language Wos 000518464200009 Publication Date 2020-03-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9007 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.6 Times cited Open Access OpenAccess
  Notes Horizon 2020 Framework Programme, 823717—ESTEEM3 ; Max-Planck-Gesellschaft; Helmholtz Virtual Institute; Approved Most recent IF: 8.6; 2020 IF: 8.462
  Call Number UA @ lucian @c:irua:167699 Serial 6393
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Author Denneulin, T.; Rouvière, J.L.; Béché, A.; Py, M.; Barnes, J.P.; Rochat, N.; Hartmann, J.M.; Cooper, D.
  Title The reduction of the substitutional C content in annealed Si/SiGeC superlattices studied by dark-field electron holography Type A1 Journal article
  Year 2011 Publication Semiconductor science and technology Abbreviated Journal Semicond Sci Tech
  Volume 26 Issue 12 Pages 1-10
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract (down) Si/Si(1 − x − y)GexCy superlattices are used in the construction of new microelectronic architectures such as multichannel transistors. The introduction of carbon in SiGe allows for compensation of the strain and to avoid plastic relaxation. However, the formation of incoherent β-SiC clusters during annealing limits the processability of SiGeC. This precipitation leads to a modification of the strain in the alloy due to the reduction of the substitutional carbon content. Here, we investigated the strain in annealed Si/Si0.744Ge0.244C0.012 superlattices grown by reduced pressure chemical vapour deposition using dark-field electron holography. The variation of the substitutional C content was calculated by correlating the results with finite-element simulations. The obtained values were then compared with Fourier-transformed infrared spectrometry measurements. It was shown that after annealing for 2 min at 1050 °C carbon no longer has any influence on strain in the superlattice, which behaves like pure SiGe. However, a significant proportion of substitutional C atoms remain in a third-nearest neighbour (3nn) configuration. It was deduced that the influence of 3nn C on strain is negligible and that only isolated atoms have a significant contribution. It was also proposed that the 3nn configuration is an intermediary step during the formation of SiC clusters.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000300151300010 Publication Date 2011-11-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0268-1242 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.305 Times cited Open Access
  Notes Approved Most recent IF: 2.305; 2011 IF: 1.723
  Call Number UA @ lucian @ c:irua:136427 Serial 4508
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Author Xu, T.; Nys, J.-P.; Addad, A.; Lebedev, O.I.; Urbieta, A.; Salhi, B.; Berthe, M.; Grandidier, B.; Stievenard, D.
  Title Faceted sidewalls of silicon nanowires: Au-induced structural reconstructions and electronic properties Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 81 Issue 11 Pages 115403,1-115403,10
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract (down) Si nanowires with a ⟨111⟩ orientation, synthesized by vapor-liquid-solid process with low silane partial pressure reactant and gold as the catalyst, are known to exhibit sawtooth facets containing gold adsorbates. We report herein the study of the nanowire morphology by means of transmission electron microscopy and scanning tunneling microscopy. The nanowires consist of faceted sidewalls. The number of the sidewalls changes from 12 to 6 along the growth axis, giving rise to nanowires with an irregular hexagonal cross section at their base. The sidewalls are covered with Au-rich clusters. Their facets also exhibit atomic structures that reveal the presence of gold, resulting from the diffusion of gold during the growth. Based on these observations, the tapering of the nanowire is found to be related to two contributions: the reduction in the catalyst particle size during the growth and lateral overgrowth from the direct incorporation of Si species onto the nanowire sidewalls. Because the rearrangement of atoms at surfaces and interfaces might affect the growth kinetics, the trigonal symmetry as well as the higher lateral growth rate on the widest sidewalls are explained from the existence of an interfacial atomic structure with two inequivalent parts in the unit cell. Finally, spectroscopic measurements were performed on the major facets and revealed a metallic behavior at 77 K.
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  Corporate Author Thesis
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  Language Wos 000276248800116 Publication Date 2010-03-03
  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 42 Open Access
  Notes Approved Most recent IF: 3.836; 2010 IF: 3.774
  Call Number UA @ lucian @ c:irua:82273 Serial 1168
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Author de Maeyer-Worobiec, A.; Dekov, V.M.; Laane, R.W.P.M.; Van Grieken, R.
  Title EPXMA survey of shelf sediments (Southern Bight, North Sea): a glance beyond the XRD-invisible Type A1 Journal article
  Year 2009 Publication Microchemical journal Abbreviated Journal
  Volume 91 Issue 1 Pages 21-31
  Keywords A1 Journal article; Laboratory Experimental Medicine and Pediatrics (LEMP); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract (down) Shelf sediments of the southern North Sea, were studied with a microanalytical [electron probe X-ray microanalysis (EPXMA)] and two bulk [X-ray diffraction (XRD) and X-ray fluorescence (XRF)] techniques. The investigation proved that the promptness of the microanalytical method is combined with a reasonable analytical reliability. XRD studies of such a type of sediments with monotonous mineral composition are not able to provide mineralogical information beyond the main well-crystalline minerals and the mineralogical quantitative characteristic of the sediment based on XRD estimations are incorrect. The EPXMA mineralogical interpretations are based on the statistical evaluation of a huge data set (thousands of mineral particles) and provide a rather correct quantitative determination of the main minerals. The comparative EPXMAXRF study revealed that the Al, Si, K, Ca, Fe and to some extent Ti contents estimated by EPXMA are fairly reliable. In this respect the accuracy of the EPXMA-based mineral identification of the pure silicates, pure aluminosilicates, and Al-, Ca-, Fe- and Ti-containing minerals with simple composition is very high. Mg-calcite, augite and apatite determinations are assessed to be correct. The supposed accuracy of the clay mineral determinations is slightly lower (7080%) than that of the other main minerals due to the complex and varying composition of the clays. The identification of XRD-invisible accessory minerals and quantification of their presence in the sediments is an essential advantage of the EPXMA, which makes it a useful approach in tracing the origin of the sediments, the pathways of their transport and the geochemical processes they have undergone. However, the EPXMA has several flaws, which need to be solved in the future sediment investigations: (1) calibration with natural standards is needed in order to provide a higher accuracy of the mineral determinations; (2) any EPXMA study of sediments needs to be secured with XRF examinations of selected samples since EPXMA gives only semi-quantitative information about the abundance of the elements; (3) ultra-thin window EPXMA of low-Z elements has to be used since some of them (O, C) are always present in the main sediment components: silicates, aluminosilicates, carbonates and metal oxyhydroxides; (4) the interpretations of the clay fraction have to be supported with detailed XRD investigations of selected samples, while the mineralogy of the silt and sand fractions needs to be backed up with optical microscopy studies. The information from different analytical techniques (EPXMA with XRFXRD-optical microscopy of selected samples) combined with the knowledge about the most possible minerals in a given environment, would give the most reliable results in studying mineralogical composition of shelf sediments.
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  Publisher Place of Publication Editor
  Language Wos 000262963300006 Publication Date 2008-07-14
  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 Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:71604 Serial 7933
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Author Polavarapu, L.; Zanaga, D.; Altantzis, T.; Rodal-Cedeira, S.; Pastoriza-Santos, I.; Pérez-Juste, J.; Bals, S.; Liz-Marzán, L.M.
  Title Galvanic Replacement Coupled to Seeded Growth as a Route for Shape-Controlled Synthesis of Plasmonic Nanorattles Type A1 Journal article
  Year 2016 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc
  Volume 138 Issue 138 Pages 11453-11456
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract (down) Shape-controlled synthesis of metal nanoparticles (NPs) requires mechanistic understanding toward the development of modern nanoscience and nanotechnology. We demonstrate here an unconventional shape transformation of Au@Ag core−shell NPs (nanorods and nanocubes) into octahedral nanorattles via roomtemperature galvanic replacement coupled with seeded growth. The corresponding morphological and chemical transformations were investigated in three dimensions, using state-of-the-art X-ray energy-dispersive spectroscopy (XEDS) tomography. The addition of a reducing agent (ascorbic acid) plays a key role in this unconventional mechanistic path, in which galvanic replacement is found to dominate initially when the shell is made of Ag, while seeded growth suppresses transmetalation when a composition of Au:Ag (∼60:40) is reached in the shell, as revealed by quantitative XEDS tomography. This work not only opens new avenues toward the shape control of hollow NPs beyond the morphology of sacrificial templates, but also expands our understanding of chemical transformations in nanoscale galvanic replacement reactions. The XEDS electron tomography study presented here can be generally applied to investigate a wide range of nanoscale morphological and chemical transformations.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000383410700008 Publication Date 2016-09-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0002-7863 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 13.858 Times cited 75 Open Access OpenAccess
  Notes This work has been funded by the European Research Council (ERC Advanced Grant No. 267867- PLASMAQUO, ERC Starting Grant No. 335078-COLOURATOMS) and Spanish MINECO (Grants MAT2013-45168-R and MAT2013-46101-R); ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 13.858
  Call Number EMAT @ emat @ c:irua:137123 Serial 4329
Permanent link to this record
 

 
Author Zheng, G.; Chen, Z.; Sentosun, K.; Pérez-Juste, I.; Bals, S.; Liz-Marzán, L.M.; Pastoriza-Santos, I.; Pérez-Juste, J.; Hong, M.
  Title Shape control in ZIF-8 nanocrystals and metal nanoparticles@ZIF-8 heterostructures Type A1 Journal article
  Year 2017 Publication Nanoscale Abbreviated Journal Nanoscale
  Volume 9 Issue 9 Pages 16645-16651
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract (down) Shape control in metal-organic frameworks still remains a challenge. We propose a strategy based on the capping agent modulator method to control the shape of ZIF-8 nanocrystals. This approach requires the use of a surfactant, cetyltrimethylammonium bromide (CTAB), and a second capping agent, tris(hydroxymethyl)aminomethane (TRIS), to obtain ZIF-8 nanocrystals with morphology control in aqueous media. Semiempirical computational simulations suggest that both shape-inducing agents adsorb onto different surface facets of ZIF-8, thereby slowing down their crystal growth rates. While CTAB molecules preferentially adsorb onto the {100} facets, leading to ZIF-8 particles with cubic morphology, TRIS preferentially stabilizes the {111} facets, inducing the formation of octahedral crystals. Interestingly, the presence of both capping agents leads to nanocrystals with irregular shapes and higher index facets, such as hexapods and burr puzzles. Additionally, the combination of ZIF-8 nanocrystals with other materials is expected to impart additional properties due to the hybrid nature of the resulting nanocomposites. In the present case, the presence of CTAB and TRIS molecules as capping agents facilitates the synthesis of metal nanoparticle@ZIF-8 nanocomposites, due to synergistic effects which could be of use in a number of applications such as catalysis, gas sensing and storage.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000414960900015 Publication Date 2017-07-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.367 Times cited 109 Open Access OpenAccess
  Notes This work was supported by the Ministerio de Economía y Competitividad (MINECO, Spain), under the Grants MAT2013- 45168-R and MAT2016-77809-R. This study was also funded by the Xunta de Galicia/FEDER (ED431C 2016-048). We are grateful to the financial support from National Natural Science Foundation of China (21671010), Guangdong Science and Technology Program (2013A061401002), and Shenzhen Strategic Emerging Industries (KQCX2015032709315529, CXZZ20140419131807788). Approved Most recent IF: 7.367
  Call Number EMAT @ emat @c:irua:145827UA @ admin @ c:irua:145827 Serial 4705
Permanent link to this record
 

 
Author Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R.
  Title Ab initio study of the spectroscopy, kinetics, and thermochemistry of the C2N and CN2 molecules Type A1 Journal article
  Year 1994 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 226 Issue 5/6 Pages 475-483
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract (down) Several structures and electronic states of the C2N and CN2 molecules have been studied using complete active space SCF (CASSCF), multireference configuration interaction (MRCI), and coupled cluster (CCSD(T)) methods. Both molecules are very stable. Our best computed total atomization energies SIGMAD(e) are 288.6 +/- 2 kcal/mol for CN2, and 294.1 +/- 2 kcal/mol for C2N. The CNC and CCN structures for C2N are nearly isoenergetic. CNN(3PI) lies about 30 kcal/mol above NCN(3PI(g)), but has a high barrier towards interconversion and is therefore observed experimentally. Computed harmonic frequencies for CNN are sensitive to the correlation treatment: they are reproduced well using multireference methods as well as the CCSD(T) method. High spin contamination has a detrimental effect on computed harmonic frequencies at the CCSD(T) level.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos A1994PE00500008 Publication Date 2002-07-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.897 Times cited 46 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:10256 Serial 37
Permanent link to this record
 

 
Author Swaenen, M.; Stefaniak, E.A.; Frost, R.; Worobiec, A.; Van Grieken, R.
  Title Investigation of inclusions trapped inside Libyan desert glass by Raman microscopy Type A1 Journal article
  Year 2010 Publication Analytical and bioanalytical chemistry Abbreviated Journal
  Volume 397 Issue 7 Pages 2659-2665
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
  Abstract (down) Several specimens of Libyan desert glass (LDG), an enigmatic natural glass from Egypt, were subjected to investigation by micro-Raman spectroscopy. The spectra of inclusions inside the LDG samples were successfully measured through the layers of glass and the mineral species were identified on this basis. The presence of cristobalite as typical for high-temperature melt products was confirmed, together with co-existing quartz. TiO2 was determined in two polymorphic species rutile and anatase. Micro-Raman spectroscopy proved also the presence of minerals unusual for high-temperature glasses such as anhydrite and aragonite.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000280122100004 Publication Date 2010-01-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1618-2642; 1618-2650 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:83276 Serial 8125
Permanent link to this record
 

 
Author Moretti, M.; De Boni, A.; Roma, R.; Fracchiolla, M.; Van Passel, S.
  Title Integrated assessment of agro-ecological systems : the case study of the “Alta Murgia” National park in Italy Type A1 Journal article
  Year 2016 Publication Agricultural Systems Abbreviated Journal Agr Syst
  Volume 144 Issue Pages 144-155
  Keywords A1 Journal article; Engineering Management (ENM)
  Abstract (down) Several indicators and methods are already applied for sustainability assessment in agriculture. The links between sustainability indicators, agricultural management and policies are not well explained. The aim of this study is to combine biophysical and monetary sustainability assessment tools to support agriculture policy decision-making. Three methodological steps are considered: i) the environmental impacts of farms are assessed using terrestrial acidification, freshwater eutrophication, soil and freshwater ecotoxicity as well as natural land transformation; ii) the most relevant indicators of agriculture damages on ecosystems quality are aggregated into an index; iii) the farms' index scores are integrated with farm assets, land and labor, into the Sustainable Value approach (SVA), as indicator of natural resources used by farms. As a case study, the methodology was applied to arable farms with and without animal husbandry of the “Alta Murgia” National Park. The crop farms, in our sample, have a higher sustainable value using their economic and environmental resources. Mixed farms need to improve their resources use efficiency. Although crop farms have lower land-use efficiency compared to mixed farms, our results suggest supporting, by means of policy options, the specialized crop farms that, on average, perform better in terms of ecosystems quality preservation. Finally, we find that Life Cycle Assessment (LCA) to soundly measure the environmental impacts clearly enriches the SVA. (C) 2016 Elsevier Ltd. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000373553100014 Publication Date 2016-02-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0308-521x ISBN Additional Links UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
  Impact Factor 2.571 Times cited 6 Open Access
  Notes ; We would like to thank the editor and the anonymous referees for their helpful suggestions and insightful comments that have significantly improved the paper. The authors want to thank the “Alta Murgia” Park Authority for the support in this study and all farmers that collaborated with the authors providing data. Moreover, the authors want to thank Dr. Sylvestre Njakou Djomo for the useful discussion and suggestion to build the LCA model. ; Approved Most recent IF: 2.571
  Call Number UA @ admin @ c:irua:133254 Serial 6218
Permanent link to this record
 

 
Author Kim, E.; Horckmans, L.; Spooren, J.; Vrancken, K.C.; Quaghebeur, M.; Broos, K.
  Title Selective leaching of Pb, Cu, Ni and Zn from secondary lead smelting residues Type A1 Journal article
  Year 2017 Publication Hydrometallurgy Abbreviated Journal
  Volume 169 Issue Pages 372-381
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract (down) Several HNO3-based leaching approaches were tested and optimized to selectively recover Pb and other minor metals (Cu, Ni, Zn) from secondary lead smelter residues (i.e., slag and matte). Firstly, the leaching behaviors of Pb and the matrix element Fe were studied at atmospheric pressure in the temperature range 25-70 degrees C. These elements were present in both materials studied as sulfide and oxide phases. For the sulfur-rich matte residue, the Pb leaching increased from 63% to 69% upon increasing the HNO3 concentration from 0.2 M to 0.5 M. However, by adding Fe(III) as an oxidation agent, Pb leaching from the matte amounted to 90% at 25 degrees C. At a higher temperature, Pb leaching was reduced due to PbSO4 precipitation. In this process, Cu, Zn and Ni leaching was insignificant. For the slag residue, HNO3 could not leach Pb (0.03% Pb leached), while Fe leaching was 19.8% due to a galvanic effect. However, Pb leaching of the slag was 82% in the presence of additional Fe(III). Secondly, to enhance leaching of the other base metals (Cu, Zn and Ni) from the matte, roasting followed by water leaching and (microwave assisted or autoclave) pressurized leaching in 0.5 M HNO3 were applied. During roasting, the FeS phase converted to Fe2O3 above 500 degrees C, and PbS and Pb phases were transformed into insoluble PbSO4 above 400 degrees C. Cu, Ni and Zn leaching was drastically enhanced by a roasting step at 600 degrees C followed by leaching with 0.5 M HNO3 at 50 degrees C, or by pressurized HNO3 leaching above 130 degrees C, whereby Pb leaching almost ceased due to PbSO4 precipitation. During the roasting above 600 degrees C, or microwave assisted extraction (MAE) at 160 degrees C for 15 min, FeS was completely converted to iron oxides that can be used as raw material for pig iron production. Based on the results, the methods investigated can be combined as process steps of two possible routes for the selective recovery of valuable metals and the production of a clean source of Fe oxides from the secondary lead smelting residues studied. (C) 2017 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000401878200045 Publication Date 2017-03-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0304-386x 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:144299 Serial 8503
Permanent link to this record
 

 
Author Pinera, I.; Cruz, C.M.; Leyva, A.; Abreu, Y.; Cabal, A.E.; van Espen, P.; Van Remortel, N.
  Title Improved calculation of displacements per atom cross section in solids by gamma and electron irradiation Type A1 Journal article
  Year 2014 Publication Interactions With Materials And Atoms Abbreviated Journal
  Volume 339 Issue Pages 1-7
  Keywords A1 Journal article; Engineering sciences. Technology; Particle Physics Group; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract (down) Several authors had estimated the displacements per atom cross sections under different approximations and models, including most of the main gamma- and electron-material interaction processes. These previous works used numerical approximation formulas which are applicable for limited energy ranges. We proposed the Monte Carlo assisted Classical Method (MCCM), which relates the established theories about atom displacements to the electron and positron secondary fluence distributions calculated from the Monte Carlo simulation. In this study the MCCM procedure is adapted in order to estimate the displacements per atom cross sections for gamma and electron irradiation. The results obtained through this procedure are compared with previous theoretical calculations. An improvement in about 10-90% for the gamma irradiation induced dpa cross section is observed in our results on regard to the previous evaluations for the studied incident energies. On the other hand, the dpa cross section values produced by irradiation with electrons are improved by our calculations in about 5-50% when compared with the theoretical approximations. When thin samples are irradiated with electrons, more precise results are obtained through the MCCM (in about 20-70%) with respect to the previous studies. (C) 2014 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000343785500001 Publication Date 2014-09-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0168-583x 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:121161 Serial 8069
Permanent link to this record
 

 
Author Shani, J.; Barak, S.; Ram, M.; Levi, D.; Pfeifer, Y.; Schlesinger, T.; Avrach, W.W.; Robberecht, H.; Van Grieken, R.
  Title Serum bromine levels in psoriasis Type A1 Journal article
  Year 1982 Publication Pharmacology Abbreviated Journal
  Volume 25 Issue 6 Pages 297-307
  Keywords A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract (down) Serum bromine levels in psoriatic Danes increased 2- to 3-fold during a 4-week bathing course in the Dead Sea. This increase correlated well with the improvement in their clinical and psychic condition. Serum bromine levels in psoriatic Danes were somewhat lower than those in healthy subjects residing in Denmark, but the difference was not significant. Israelis working in the open air in the Dead Sea area (air bromine 20-fold higher than in Jerusalem) had higher bromine levels than psoriatic or healthy Israelis residing in Jerusalem or healthy Israelis working in air-conditioned rooms in the Dead Sea area (p < 0.05), but those levels were still within the normal range. As our animal experimentation indicates that the skin is a major target organ for 82Br, applied either by bathing or as an aerosol, we conclude that the higher bromine levels noticed in the psoriatic Danes after their 4-week stay at the Dead Sea may be equally due to their contact with the bromine-containing aerosol and the high bromine level of the Dead Sea waters.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos A1982PV13800001 Publication Date 2008-06-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-7012 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:116653 Serial 8515
Permanent link to this record
 

 
Author Godoi, R.H.M.; Goncalves, S.J., Jr.; Sayama, C.; Polezer, G.; Reis Neto, J.M.; Alfoldy, B.; Van Grieken, R.; Riedi, C.A.; Yamamoto, C.I.; Godoi, A.F.L.; Bencs, L.
  Title Health implications of atmospheric aerosols from asbestos-bearing road pavements traditionally used in Southern Brazil Type A1 Journal article
  Year 2016 Publication Environmental Science and Pollution Research T2 – 1st International Caparica Conference on Pollutant Toxic Ions and, Molecules (PTIM), 2015, Caparica, PORTUGAL Abbreviated Journal
  Volume 23 Issue 24 Pages 25180-25190
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract (down) Serpentine and amphibole asbestos occur naturally in certain geologic settings worldwide, most commonly in association with ultramafic rocks, along associated faults. Ultramafic rocks have been used in Pin County, Southern Brazil for decades for the purpose of road paving in rural and urban areas, but without the awareness of their adverse environmental and health impact. The aim of this study was the chemical characterization of aerosols re-suspended in two rural roads of Pin, paved with ultramafic rocks and to estimate the pulmonary deposition of asbestos aerosols. Bulk aerosol samples were analyzed by means of X-ray fluorescence spectrometry and X-ray diffraction analysis, in order to characterize elemental composition and crystallinity. Single-particle compositions of aerosols were analyzed by computer-controlled electron-probe microanalysis, indicating the presence of a few percentages of serpentine and amphibole. Given the chemical composition and size distribution of aerosol particles, the deposition efficiency of chrysotile, a sub-group of serpentine, in two principal segments of the human respiratory system was estimated using a lung deposition model. As an important finding, almost half of the inhaled particles were calculated to be deposited in the respiratory system. Asbestos depositions were significant (similar to 25 %) in the lower airways, even though the selected breathing conditions (rest situation, nose breathing) implied the lowest rate of respiratory deposition. Considering the fraction of inhalable suspended chrysotile near local roads, and the long-term exposure of humans to these aerosols, chrysotile may represent a hazard, regarding more frequent development of lung cancer in the population of the exposed region.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000389301700060 Publication Date 2016-09-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0944-1344; 1614-7499 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:139232 Serial 8018
Permanent link to this record
 

 
Author Vandelannoote, R.; Blommaert, W.; Sadurski, A.; Van 'T Dack, L.; Gijbels, R.; Van Grieken, R.; Bosch, B.; Leleu, M.; Rochon, J.; Sarcia, C.; Sureau, J.F.;
  Title Trace-elemental anomalies in surface water near a small lead-zinc mineralization at Menez-Albot (Brittany, France) Type A1 Journal article
  Year 1984 Publication Journal of geochemical exploration Abbreviated Journal J Geochem Explor
  Volume 20 Issue 1 Pages 33-46
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract (down) Sensitive multi-element analysis techniques were applied to water samples collected in the vicinity of a small Zn-Pb-Cu sulfide mineralization in the region of Menez-Albot (Finistère, France). The variation of the trace-element content along a local stream shows the presence of the mineralization, mainly through a simultaneous positive anomaly in solution for a group of about 10 elements (e.g. Ni, Cu, Zn, As, Sb) which are connected with this type of mineralization. The anomaly decreases steeply due to the influx of swamp water rich in Fe, Mn and organic matter. The precipitation barrier is reflected in the stream sediment composition. Contamination from fertilizers was observed in some samples.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos A1984SF42900004 Publication Date 2003-08-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0375-6742; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.747 Times cited 4 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:111449 Serial 3695
Permanent link to this record
 

 
Author Bosch, B.; Leleu, M.; Oustrière, P.; Sarcia, C.; Sureau, J.F.; Blommaert, W.; Gijbels, R.; Sadurski, A.; Vandelannoote, R.; Van Grieken, R.; Van 'T Dack, L.;
  Title Hydrogeochemistry in the zinclead mining district of Les Malines (Gard, France) Type A1 Journal article
  Year 1986 Publication Chemical geology Abbreviated Journal Chem Geol
  Volume 55 Issue 1/2 Pages 31-44
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract (down) Sensitive multi-element analysis techniques together with major-element and isotopic analyses were applied to spring, mine and surface waters in the vicinity of an important known zinclead deposit in a carbonate environment, in the Les Malines area (Gard, France). Both the dissolved and suspended phases were investigated, and concretions and sediments were also considered in some cases. This methodological test shows that the ore body leaves various clear fingerprints, such as the Zn, As, Sb, Pb and U levels in the dissolved phase, the sulfate increment and the δ 34S. Some of the elements in solution are controlled by slightly soluble compounds, e.g. Zn by smithsonite and hydrozincite, Ba by barite, and Pb by hydrocerussite. Mapping the saturation indices for these elements appears useful for displaying the hydrogeochemical anomaly.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos A1986C743300003 Publication Date 2003-08-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0009-2541; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.524 Times cited 3 Open Access
  Notes Approved CRYSTALLOGRAPHY 19/26 Q3 # PHYSICS, CONDENSED MATTER 53/67 Q4 #
  Call Number UA @ lucian @ c:irua:111481 Serial 1537
Permanent link to this record
 

 
Author Yorulmaz, U.; Šabani, D.; Sevik, C.; Milošević, M.V.
  Title Goodenough-Kanamori-Anderson high-temperature ferromagnetism in tetragonal transition-metal xenes Type A1 Journal article
  Year 2024 Publication 2D materials Abbreviated Journal
  Volume 11 Issue 3 Pages 035013-10
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract (down) Seminal Goodenough-Kanamori-Anderson (GKA) rules provide an inceptive understanding of the superexchange interaction of two magnetic metal ions bridged with an anion, and suggest fostered ferromagnetic interaction for orthogonal bridging bonds. However, there are no examples of two-dimensional (2D) materials with structure that optimizes the GKA arguments towards enhanced ferromagnetism and its critical temperature. Here we reveal that an ideally planar GKA ferromagnetism is indeed stable in selected tetragonal transition-metal xenes (tTMXs), with Curie temperature above 300 K found in CrC and MnC. We provide the general orbitally-resolved analysis of magnetic interactions that supports the claims and sheds light at the mechanisms dominating the magnetic exchange process in these structures. Furthermore, we propose the set of three GKA-like rules that will guarantee room temperature ferromagetnism. With recent advent of epitaxially-grown tetragonal 2D materials, our findings earmark tTMXs for facilitated spintronic and magnonic applications, or as a desirable magnetic constituent of functional 2D heterostructures.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001208053200001 Publication Date 2024-04-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record
  Impact Factor 5.5 Times cited Open Access
  Notes Approved Most recent IF: 5.5; 2024 IF: 6.937
  Call Number UA @ admin @ c:irua:205464 Serial 9153
Permanent link to this record
 

 
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 (down) 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.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000565588500001 Publication Date 2020-08-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2397-7132 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 604 Open Access
  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
 

 
Author Honoré, M.; Lenaerts, S.; Desmet, J.; Huyberechts, G.; Roggen, J.
  Title Synthesis and characterization of tin dioxide powders for the realization of thick-film gas sensors Type A1 Journal article
  Year 1994 Publication Sensors and actuators : B : chemical Abbreviated Journal
  Volume 19 Issue Pages 621-624
  Keywords A1 Journal article
  Abstract (down) Semiconductor gas sensors produced with screen-printing techniques and based on home-made tin dioxide inks are presented. The ink consists of home-made tin dioxide powder added to a polymer solution to make it screen printable on 96% alumina substrates. The major work is performed on the preparation and the characterization of pure undoped tin dioxide powder produced by two different synthetic pathways. Inks prepared with powders from each method are consecutively handled in an identical way to obtain gas sensors. The sensor response towards different gases is measured and compared for both types of starting materials.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos A1994NN90000073 Publication Date 2002-07-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0925-4005 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:82013 Serial 5996
Permanent link to this record
 

 
Author Tongay, S.; Sahin, H.; Ko, C.; Luce, A.; Fan, W.; Liu, K.; Zhou, J.; Huang, Y.S.; Ho, C.H.; Yan, J.; Ogletree, D.F.; Aloni, S.; Ji, J.; Li, S.; Li, J.; Peeters, F.M.; Wu, J.;
  Title Monolayer behaviour in bulk ReS2 due to electronic and vibrational decoupling Type A1 Journal article
  Year 2014 Publication Nature communications Abbreviated Journal Nat Commun
  Volume 5 Issue Pages 3252
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract (down) Semiconducting transition metal dichalcogenides consist of monolayers held together by weak forces where the layers are electronically and vibrationally coupled. Isolated monolayers show changes in electronic structure and lattice vibration energies, including a transition from indirect to direct bandgap. Here we present a new member of the family, rhenium disulphide (ReS2), where such variation is absent and bulk behaves as electronically and vibrationally decoupled monolayers stacked together. From bulk to monolayers, ReS2 remains direct bandgap and its Raman spectrum shows no dependence on the number of layers. Interlayer decoupling is further demonstrated by the insensitivity of the optical absorption and Raman spectrum to interlayer distance modulated by hydrostatic pressure. Theoretical calculations attribute the decoupling to Peierls distortion of the 1T structure of ReS2, which prevents ordered stacking and minimizes the interlayer overlap of wavefunctions. Such vanishing interlayer coupling enables probing of two-dimensional-like systems without the need for monolayers.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000332666700010 Publication Date 2014-02-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2041-1723; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 12.124 Times cited 806 Open Access
  Notes ; This work was supported by the United States Department of Energy Early Career Award DE-FG02-11ER46796. The high pressure part of this work was supported by COMPRES, the Consortium for Materials Properties Research in Earth Sciences, under National Science Foundation Cooperative Agreement EAR 11-577758. The electron microscopy and nano-Auger measurements were supported by the user programme at the Molecular Foundry, which was supported by the Office of Science, Office of Basic Energy Sciences, of the United States Department of Energy under contract no. DE-AC02-05CH11231. S. A. gratefully acknowledges Dr Virginia Altoe of the Molecular Foundry for help with the TEM data acquisition and analysis. J.L. acknowledges support from the Natural Science Foundation of China for Distinguished Young Scholar (grant nos. 60925016 and 91233120). Y.-S.H. and C.-H. H. acknowledge support from the National Science Council of Taiwan under project nos. NSC 100-2112-M-011-001-MY3 and NSC 101-2221-E-011-052-MY3. H. S. was supported by the FWO Pegasus Marie Curie Long Fellowship programme. The DFT work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem programme of the Flemish government. Computational resources were partially provided by TUBITAK ULAKBIM, High Performance and Grid Computing Centre. ; Approved Most recent IF: 12.124; 2014 IF: 11.470
  Call Number UA @ lucian @ c:irua:119247 Serial 2192
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Author Arseenko, M.; Hannard, F.; Ding, L.; Zhao, L.; Maire, E.; Villanova, J.; Idrissi, H.; Simar, A.
  Title A new healing strategy for metals : programmed damage and repair Type A1 Journal article
  Year 2022 Publication Acta materialia Abbreviated Journal Acta Mater
  Volume 238 Issue Pages 118241-10
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract (down) Self-healing strategies aim at avoiding part repair or even replacement, which is time consuming, expen-sive and generates waste. However, strategies for metallic systems are still under-developed and solid-state solutions for room temperature service are limited to nano-scale damage repair. Here we propose a new healing strategy of micron-sized damage requiring only short and low temperature heating. This new strategy is based on damage localization particles, which can be healed by fast diffusing atoms of the matrix activated during heat treatment. The healing concept was successfully validated with a com-mercial aluminum alloy and manufactured by Friction Stir Processing (FSP). Damage was demonstrated to initiate on particles that were added to the matrix during material processing. In situ 2D and 3D nano -imaging confirmed healing of the damaged material and showed that heating this material for 10 min at 400 degrees C is sufficient to heal incipient damage with complete filling of 70% of all damage (and up to 90% when their initial size is below 0.2 mu m). Furthermore, strength is retained and the work of fracture of the alloy is improved by about 40% after healing. The proposed Programmed Damage and Repair healing strategy could be extended to other metal based systems presenting precipitation. (C) 2022 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000843502700006 Publication Date 2022-08-03
  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 9.4 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 9.4
  Call Number UA @ admin @ c:irua:190561 Serial 7121
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Author Tong, Y.; Yao, E.-P.; Manzi, A.; Bladt, E.; Wang, K.; Doeblinger, M.; Bals, S.; Mueller-Buschbaum, P.; Urban, A.S.; Polavarapu, L.; Feldmann, J.
  Title Spontaneous self-assembly of Perovskite nanocrystals into electronically coupled supercrystals : toward filling the green gap Type A1 Journal article
  Year 2018 Publication Advanced materials Abbreviated Journal Adv Mater
  Volume 30 Issue 30 Pages 1801117
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract (down) Self-assembly of nanoscale building blocks into ordered nanoarchitectures has emerged as a simple and powerful approach for tailoring the nanoscale properties and the opportunities of using these properties for the development of novel optoelectronic nanodevices. Here, the one-pot synthesis of CsPbBr3 perovskite supercrystals (SCs) in a colloidal dispersion by ultrasonication is reported. The growth of the SCs occurs through the spontaneous self-assembly of individual nanocrystals (NCs), which form in highly concentrated solutions of precursor powders. The SCs retain the high photoluminescence (PL) efficiency of their NC subunits, however also exhibit a redshifted emission wavelength compared to that of the individual nanocubes due to interparticle electronic coupling. This redshift makes the SCs pure green emitters with PL maxima at approximate to 530-535 nm, while the individual nanocubes emit a cyan-green color (approximate to 512 nm). The SCs can be used as an emissive layer in the fabrication of pure green light-emitting devices on rigid or flexible substrates. Moreover, the PL emission color is tunable across the visible range by employing a well-established halide ion exchange reaction on the obtained CsPbBr3 SCs. These results highlight the promise of perovskite SCs for light emitting applications, while providing insight into their collective optical properties.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000438709400019 Publication Date 2018-06-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0935-9648 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 19.791 Times cited 161 Open Access OpenAccess
  Notes ; This research work was supported by the Bavarian State Ministry of Science, Research, and Arts through the grant “Solar Technologies go Hybrid (SolTech),” by the China Scholarship Council (Y.T. and K.W.), by the European Union's Horizon 2020 research and innovation program under the Marie Skodowska-Curie Grant Agreement COMPASS No. 691185 and by LMU Munich's Institutional Strategy LMUexcellent within the framework of the German Excellence Initiative (L.P., J.F. and A.S.U.). E.B. and S.B. acknowledge financial support from the European Research Council (ERC Starting Grant #335078-COLOURATOMS). The authors would like to thank Alexander Richter for helpful discussions. ; ecas_Sara Approved Most recent IF: 19.791
  Call Number UA @ lucian @ c:irua:152413UA @ admin @ c:irua:152413 Serial 5129
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