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| Author | Mikhailova, D.; Karakulina, O.M.; Batuk, D.; Hadermann, J.; Abakumov, A.M.; Herklotz, M.; Tsirlin, A.A.; Oswald, S.; Giebeler, L.; Schmidt, M.; Eckert, J.; Knapp, M.; Ehrenberg, H. | ||||
| Title | Layered-to-Tunnel Structure Transformation and Oxygen Redox Chemistry in LiRhO2upon Li Extraction and Insertion | Type | A1 Journal article | ||
Year  |
2016 | Publication | Inorganic chemistry | Abbreviated Journal | Inorg Chem |
| Volume | 55 | Issue | 55 | Pages | 7079-7089 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Layered Li(M,Li)O2 (where M is a transition metal) ordered rock-salt-type structures are used in advanced metal-ion batteries as one of the best hosts for the reversible intercalation of Li ions. Besides the conventional redox reaction involving oxidation/reduction of the M cation upon Li extraction/insertion, creating oxygen-located holes because of the partial oxygen oxidation increases capacity while maintaining the oxidized oxygen species in the lattice through high covalency of the M–O bonding. Typical degradation mechanism of the Li(M,Li)O2 electrodes involves partially irreversible M cation migration toward the Li positions, resulting in gradual capacity/voltage fade. Here, using LiRhO2 as a model system (isostructural and isoelectronic to LiCoO2), for the first time, we demonstrate an intimate coupling between the oxygen redox and M cation migration. A formation of the oxidized oxygen species upon electrochemical Li extraction coincides with transformation of the layered Li1–xRhO2 structure into the γ-MnO2-type rutile–ramsdellite intergrowth LiyRh3O6 structure with rutile-like [1 × 1] channels along with bigger ramsdellite-like [2 × 1] tunnels through massive and concerted Rh migration toward the empty positions in the Li layers. The oxidized oxygen dimers with the O–O distances as short as 2.26 Å are stabilized in this structure via the local Rh–O configuration reminiscent to that in the μ-peroxo-μ-hydroxo Rh complexes. The LiyRh3O6 structure is remarkably stable upon electrochemical cycling illustrating that proper structural implementation of the oxidized oxygen species can open a pathway toward deliberate employment of the anion redox chemistry in high-capacity/high-voltage positive electrodes for metal-ion batteries. Upon chemical or electrochemical oxidation, layered LiRhO2 shows a unique structural transformation that involves both cation migration and oxidation of oxygen resulting in a stable tunnel-like rutile−ramsdellite intergrowth LiyRh3O6 structure. This structure demonstrates excellent performance with the steady and reversible capacity of ∼200 mAh/g. The stability of LiyRh3O6 is rooted in the accommodation of partially oxidized oxygen species through the formation of short O−O distances that are compatible with the connectivity of RhO6 octahedra. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000380181400035 | Publication Date | 2016-07-18 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0020-1669 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.857 | Times cited | 12 | Open Access | |
| Notes | Bundesministerium fur Bildung und Forschung, 03SF0477B ; Fonds Wetenschappelijk Onderzoek, G040116N ; | Approved | Most recent IF: 4.857 | ||
| Call Number | EMAT @ emat @ c:irua:140848 | Serial | 4424 | ||
| Permanent link to this record | |||||
| Author | Cassidy, S.J.; Batuk, M.; Batuk, D.; Hadermann, J.; Woodruff, D.N.; Thompson, A.L.; Clarke, S.J. | ||||
| Title | Complex Microstructure and Magnetism in Polymorphic CaFeSeO | Type | A1 Journal article | ||
| Year |
2016 | Publication | Inorganic chemistry | Abbreviated Journal | Inorg Chem |
| Volume | 55 | Issue | 55 | Pages | 10714-10726 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The structural complexity of the antiferromagnetic oxide selenide CaFeSeO is described. The compound contains puckered FeSeO layers composed of FeSe2O2 tetrahedra sharing all their vertexes. Two polymorphs coexist that can be derived from an archetype BaZnSO structure by cooperative tilting of the FeSe2O2 tetrahedra. The polymorphs differ in the relative arrangement of the puckered layers of vertex-linked FeSe2O2 tetrahedra. In a noncentrosymmetric Cmc21 polymorph (a = 3.89684(2) A, b = 13.22054(8) A, c = 5.93625(2) A) the layers are related by the C-centering translation, while in a centrosymmetric Pmcn polymorph, with a similar cell metric (a = 3.89557(6) A, b = 13.2237(6) A, c = 5.9363(3) A), the layers are related by inversion. The compound shows long-range antiferromagnetic order below a Neel temperature of 159(1) K with both polymorphs showing antiferromagnetic coupling via Fe-O-Fe linkages and ferromagnetic coupling via Fe-Se-Fe linkages within the FeSeO layers. The magnetic susceptibility also shows evidence for weak ferromagnetism which is modeled in the refinements of the magnetic structure as arising from an uncompensated spin canting in the noncentrosymmetric polymorph. There is also a spin glass component to the magnetism which likely arises from the disordered regions of the structure evident in the transmission electron microscopy. | ||||
| Address | Department of Chemistry, Inorganic Chemistry Laboratory, University of Oxford , South Parks Road, Oxford OX1 3QR, United Kingdom | ||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | English | Wos | 000385785700085 | Publication Date | 2016-10-05 |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0020-1669 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.857 | Times cited | 6 | Open Access | |
| Notes | We acknowledge the financial support of the EPSRC (Grants EP/I017844/1 and EP/M020517/1), the Leverhulme Trust (RPG-2014-221), and the Diamond Light Source (studentship support for S. J. Cassidy). We thank the ESTEEM2 network for enabling the electron microscopy investigations and the ISIS facility and the Diamond Light Source Ltd. for the award of beam time. We thank Dr. P. Manuel for assistance on WISH, Dr. R. I. Smith for assistance on GEM and POLARIS, and Dr. C. Murray and Dr. A. Baker for assistance on I11. | Approved | Most recent IF: 4.857 | ||
| Call Number | EMAT @ emat @ c:irua:136823 | Serial | 4312 | ||
| Permanent link to this record | |||||
| Author | Li, M.-R.; Deng, Z.; Lapidus, S.H.; Stephens, P.W.; Segre, C.U.; Croft, M.; Sena, R.P.; Hadermann, J.; Walker, D.; Greenblatt, M. | ||||
| Title | Ba-3(Cr0.97(1)Te0.03(1))(2)TeO9: in Search of Jahn-Teller Distorted Cr(II) Oxide | Type | A1 Journal article | ||
| Year |
2016 | Publication | Inorganic chemistry | Abbreviated Journal | Inorg Chem |
| Volume | 55 | Issue | 55 | Pages | 10135-10142 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | A novel 6H-type hexagonal perovskite Ba-3(Cr0.97(1)Te0.03(1))(2)TeO9 was prepared at high pressure (6 GPa) and temperature (1773 K). Both transmission electron microscopy and synchrotron powder X-ray diffraction data demonstrate that Ba-3(Cr0.97(1)Te0.03(1))(2)TeO9 crystallizes in P6(3)/mmc with face-shared (Cr0.97(1)Te0.03(1))O-6 octahedral pairs interconnected with TeO6 octahedra via corner-sharing. Structure analysis shows a mixed Cr2+/Cr3+ valence state with similar to 10% Cr2+. The existence of Cr2+ in Ba-3(Cr0.10(1)2+Cr0.87(1)3+Te0.036+)(2)TeO9 is further evidenced by X-ray absorption near-edge spectroscopy. Magnetic properties measurements show a paramagnetic response down to 4 K and a small glassy-state curvature at low temperature. In this work, the octahedral Cr2+O6 component is stabilized in an oxide material for the first time; the expected Jahn-Teller distortion of high-spin (d(4)) Cr2+ is not found, which is attributed to the small proportion of Cr2+ (similar to 10%) and the face-sharing arrangement of CrO6 octahedral pairs, which structurally disfavor axial distortion. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Easton, Pa | Editor | ||
| Language | Wos | 000385785700026 | Publication Date | 2016-09-28 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0020-1669 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.857 | Times cited | 2 | Open Access | |
| Notes | Approved | Most recent IF: 4.857 | |||
| Call Number | UA @ lucian @ c:irua:140313 | Serial | 4440 | ||
| Permanent link to this record | |||||
| Author | Callini, E.; Aguey-Zinsou, K.F.; Ahuja, R.; Ares, J.R.; Bals, S.; Biliškov, N.; Chakraborty, S.; Charalambopoulou, G.; Chaudhary, A.L.; Cuevas, F.; Dam, B.; de Jongh, P.; Dornheim, M.; Filinchuk, Y.; Grbović Novaković, J.; Hirscher, M.; Jensen, T.R.; Jensen, P.B.; Novaković, N.; Lai, Q.; Leardini, F.; Gattia, D.M.; Pasquini, L.; Steriotis, T.; Turner, S.; Vegge, T.; Züttel, A.; Montone, A. | ||||
| Title | Nanostructured materials for solid-state hydrogen storage : a review of the achievement of COST Action MP1103 | Type | A1 Journal article | ||
| Year |
2016 | Publication | International journal of hydrogen energy T2 – E-MRS Fall Meeting / Symposium C on Hydrogen Storage in Solids -, Materials, Systems and Aplication Trends, SEP 15-18, 2015, Warsaw, POLAND | Abbreviated Journal | Int J Hydrogen Energ |
| Volume | 41 | Issue | 41 | Pages | 14404-14428 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | In the framework of the European Cooperation in Science and Technology (COST) Action MP1103 Nanostructured Materials for Solid-State Hydrogen Storage were synthesized, characterized and modeled. This Action dealt with the state of the art of energy storage and set up a competitive and coordinated network capable to define new and unexplored ways for Solid State Hydrogen Storage by innovative and interdisciplinary research within the European Research Area. An important number of new compounds have been synthesized: metal hydrides, complex hydrides, metal halide ammines and amidoboranes. Tuning the structure from bulk to thin film, nanoparticles and nanoconfined composites improved the hydrogen sorption properties and opened the perspective to new technological applications. Direct imaging of the hydrogenation reactions and in situ measurements under operando conditions have been carried out in these studies. Computational screening methods allowed the prediction of suitable compounds for hydrogen storage and the modeling of the hydrogen sorption reactions on mono-, bi-, and three-dimensional systems. This manuscript presents a review of the main achievements of this Action. (C) 2016 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Pergamon-elsevier science ltd | Place of Publication | Oxford | Editor | |
| Language | Wos | 000381950800051 | Publication Date | 2016-05-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0360-3199 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.582 | Times cited | 89 | Open Access | Not_Open_Access |
| Notes | All the authors greatly thank the COST Action MP1103 for financial support. | Approved | Most recent IF: 3.582 | ||
| Call Number | UA @ lucian @ c:irua:135723 | Serial | 4307 | ||
| Permanent link to this record | |||||
| Author | Filippousi, M.; Turner, S.; Leus, K.; Siafaka, P.I.; Tseligka, E.D.; Vandichel, M.; Nanaki, S.G.; Vizirianakis, I.S.; Bikiaris, D.N.; Van Der Voort, P.; Van Tendeloo, G. | ||||
| Title | Biocompatible Zr-based nanoscale MOFs coated with modified poly(epsilon-caprolactone) as anticancer drug carriers | Type | A1 Journal article | ||
| Year |
2016 | Publication | International journal of pharmaceutics | Abbreviated Journal | Int J Pharmaceut |
| Volume | 509 | Issue | 509 | Pages | 208-218 |
| Keywords | A1 Journal article; Pharmacology. Therapy; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Nanoscale Zr-based metal organic frameworks (MOFs) UiO-66 and UiO-67 were studied as potential anticancer drug delivery vehicles. Two model drugs were used, hydrophobic paclitaxel and hydrophilic cisplatin, and were adsorbed onto/into the nano MOFs (NMOFs). The drug loaded MOFs were further encapsulated inside a modified poly(epsilon-caprolactone) with d-alpha-tocopheryl polyethylene glycol succinate polymeric matrix, in the form of microparticles, in order to prepare sustained release formulations and to reduce the drug toxicity. The drugs physical state and release rate was studied at 37 degrees C using Simulated Body Fluid. It was found that the drug release depends on the interaction between the MOFs and the drugs while the controlled release rates can be attributed to the microencapsulated formulations. The in vitro antitumor activity was assessed using HSC-3 (human oral squamous carcinoma; head and neck) and U-87 MG (human glioblastoma grade IV; astrocytoma) cancer cells. Cytotoxicity studies for both cell lines showed that the polymer coated, drug loaded MOFs exhibited better anticancer activity compared to free paclitaxel and cisplatin solutions at different concentrations. | ||||
| Address | EMAT, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp, Belgium | ||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | English | Wos | 000378949800022 | Publication Date | 2016-05-27 |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0378-5173 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.649 | Times cited | 37 | Open Access | |
| Notes | This work is performed within the framework of the IAP-P7/05. S.T. Gratefully acknowledges the Fund for Scientific Research Flanders (FWO). K.L. acknowledges the financial support from the Ghent University BOF postdoctoral grant 01P06813T and UGent GOA Grant 01G00710. | Approved | Most recent IF: 3.649 | ||
| Call Number | c:irua:134039 | Serial | 4088 | ||
| Permanent link to this record | |||||
| Author | Eleftheriadis, G.K.; Filippousi, M.; Tsachouridou, V.; Darda, M.-A.; Sygellou, L.; Kontopoulou, I.; Bouropoulos, N.; Steriotis, T.; Charalambopoulou, G.; Vizirianakis, I.S.; Van Tendeloo, G.; Fatouros, D.G. | ||||
| Title | Evaluation of mesoporous carbon aerogels as carriers of the non-steroidal anti-inflammatory drug ibuprofen | Type | A1 Journal article | ||
| Year |
2016 | Publication | International journal of pharmaceutics | Abbreviated Journal | Int J Pharmaceut |
| Volume | 515 | Issue | 515 | Pages | 262-270 |
| Keywords | A1 Journal article; Pharmacology. Therapy; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Towards the development of novel drug carriers for oral delivery of poorly soluble drugs mesoporous aerogel carbons (CAs), namely CA10 and CA20 with different pore sizes (10 and 20 nm, respectively), were evaluated. The non-steroidal anti-inflammatory lipophilic compound ibuprofen was incorporated via passive loading. The drug loaded carbon aerogels were systemically investigated by means of High-Resolution Transmission Electron Microscopy (HR-TEM), Nitrogen physisorption studies, X-ray diffraction (XRD), Differential Scanning Calorimetry (DSC), X-ray photon electron spectroscopy (XPS) and zeta-potential studies. In vitro release studies were performed in simulated intestinal fluids reflecting both fasted (FaSSIF) and fed (FeSSIF) state conditions. Cytotoxicity studies were conducted with human intestinal cells (Caco-2). Drug was in an amorphous state in the pores of the carbon carrier as shown from the physicochemical characterization studies. The results showed marked differences in the release profiles for ibuprofen from the two aerogels in the media tested whereas in vitro toxicity profiles appear to be compatible with potential therapeutic applications at low concentrations. (C) 2016 Elsevier B.V. All rights reserved. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000389150700024 | Publication Date | 2016-10-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0378-5173 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.649 | Times cited | 7 | Open Access | |
| Notes | Approved | Most recent IF: 3.649 | |||
| Call Number | UA @ lucian @ c:irua:140231 | Serial | 4441 | ||
| Permanent link to this record | |||||
| Author | Van Aert, S.; De Backer, A.; Martinez, G.T.; den Dekker, A.J.; Van Dyck, D.; Bals, S.; Van Tendeloo, G. | ||||
| Title | Advanced electron crystallography through model-based imaging | Type | A1 Journal article | ||
| Year |
2016 | Publication | IUCrJ | Abbreviated Journal | Iucrj |
| Volume | 3 | Issue | 3 | Pages | 71-83 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab; Engineering Management (ENM) | ||||
| Abstract | The increasing need for precise determination of the atomic arrangement of non-periodic structures in materials design and the control of nanostructures explains the growing interest in quantitative transmission electron microscopy. The aim is to extract precise and accurate numbers for unknown structure parameters including atomic positions, chemical concentrations and atomic numbers. For this purpose, statistical parameter estimation theory has been shown to provide reliable results. In this theory, observations are considered purely as data planes, from which structure parameters have to be determined using a parametric model describing the images. As such, the positions of atom columns can be measured with a precision of the order of a few picometres, even though the resolution of the electron microscope is still one or two orders of magnitude larger. Moreover, small differences in average atomic number, which cannot be distinguished visually, can be quantified using high-angle annular dark-field scanning transmission electron microscopy images. In addition, this theory allows one to measure compositional changes at interfaces, to count atoms with single-atom sensitivity, and to reconstruct atomic structures in three dimensions. This feature article brings the reader up to date, summarizing the underlying theory and highlighting some of the recent applications of quantitative model-based transmisson electron microscopy. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000368590900010 | Publication Date | 2015-11-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2052-2525; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.793 | Times cited | 30 | Open Access | OpenAccess |
| Notes | The authors gratefully acknowledge the Research Foundation Flanders (FWO, Belgium) for funding and for a PhD grant to ADB. The research leading to these results has received funding from the European Union 7th Framework Program (FP7/20072013) under grant agreement No. 312483 (ESTEEM2). SB and GVT acknowledge the European Research Council under the 7th Framework Program (FP7), ERC grant No. 335078 – COLOURATOMS and ERC grant No. 246791 – COUNTATOMS.; esteem2jra2; ECASSara; (ROMEO:green; preprint:; postprint:can ; pdfversion:can); | Approved | Most recent IF: 5.793 | ||
| Call Number | c:irua:129589 c:irua:129589 | Serial | 3965 | ||
| Permanent link to this record | |||||
| Author | Aghaei, M.; Bogaerts, A. | ||||
| Title | Particle transport through an inductively coupled plasma torch: elemental droplet evaporation | Type | A1 Journal article | ||
| Year |
2016 | Publication | Journal of analytical atomic spectrometry | Abbreviated Journal | J Anal Atom Spectrom |
| Volume | 31 | Issue | 31 | Pages | 631-641 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | We studied the transport of copper droplets through an inductively coupled plasma, connected to the sampling cone of a mass spectrometer, by means of a computational model. The sample droplets are followed until they become evaporated. They are inserted as liquid particles from the central inlet and the effects of injection position (i.e. “on” and “off” axis), droplet diameter, as well as mass loading flow rate are investigated. It is shown that more “on-axis” injection of the droplets leads to a more straight path line, so that the droplets move less in the radial direction and are evaporated more on the central axis, enabling a better sample transfer efficiency to the sampler cone. Furthermore, there are optimum ranges of diameters and flow rates, which guarantee the proper position of evaporation along the torch, i.e. not too early, so that the sample can get lost in the torch, and not too late, which reduces the chance of becoming ionized before reaching the sampler. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000372857300003 | Publication Date | 2015-07-07 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0267-9477 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.379 | Times cited | 21 | Open Access | |
| Notes | The authors are very grateful to H. Lindner for the many fundamental and fruitful discussions. They are also gratefully acknowledge nancial support from the Fonds voor Wetenschappelijk Onderzoek (FWO). | Approved | Most recent IF: 3.379 | ||
| Call Number | c:irua:133240 | Serial | 4024 | ||
| Permanent link to this record | |||||
| Author | Vermeulen, M.; Nuyts, G.; Sanyova, J.; Vila, A.; Buti, D.; Suuronen, J.-P.; Janssens, K. | ||||
| Title | Visualization of As(III) and As(V) distributions in degraded paint micro-samples from Baroque- and Rococo-era paintings | Type | A1 Journal article | ||
| Year |
2016 | Publication | Journal of analytical atomic spectrometry | Abbreviated Journal | J Anal Atom Spectrom |
| Volume | 31 | Issue | 9 | Pages | 1913-1921 |
| Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | Orpiment and realgar, both arsenic sulfide pigments respectively used for their vivid yellow and red-orange hues, are two of many artists' pigments that appear not to be stable upon light exposure, quickly degrading to arsenic trioxide and arsenate. This often results in whitening or transparency in the painted surfaces. While conventional techniques such as microscopic Raman (mu-RS) and microscopic Fourier transform infrared (mu-FTIR) spectroscopies can allow a quick and relatively easy identification of the orpiment, realgar, artificial arsenic sulfide glass and, to some extent, arsenic oxide, the identification and visualization of distributions of the degradation products – and especially arsenate compounds – in the paint micro-samples is generally more challenging. This challenge is due to the rather unfavorable limit of detection and low spectral resolution of such conventional spectroscopic techniques. This restricts the conclusions that can be drawn regarding the conservation state of valuable works of art. In this paper, we present how synchrotron radiation (SR) based techniques can overcome this challenge while working on painting cross-sections taken from a 17th-century painting by the Flemish artist Daniel Seghers (oil on canvas, Statens Museum for Kunst, Denmark) and an 18th-century French Chinoiserie (private collection, France). SR micro-X-ray fluorescence (m-XRF) mapping analysis performed on a visually degraded orpiment-containing paint stratigraphy reveals that arsenic is distributed throughout the entire cross-section, while X-ray absorption near edge structure (mu-XANES) demonstrated that the arsenic is present in both arsenite (As-III) and arsenate (As-V) forms. The latter compound(s), despite being barely identifiable by means of FTIR, were not only located at the surface of large and partially altered grains of arsenic sulfide but also spread throughout the entire paint stratigraphy. Their presence and distribution are attributed either to the complete degradation of smaller arsenic sulfide grains or to migration of the arsenates within the paint layer away from their original location of formation. The combination of mu-XRF and mu-XANES was very useful for the characterization of the advanced degradation state of the arsenic-containing pigments in paint systems; this type of information could not be obtained by means of conventional spectroscopic methods of microanalysis. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000382071200017 | Publication Date | 2016-08-01 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0267-9477 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.379 | Times cited | 20 | Open Access | |
| Notes | ; This research is made possible with the support of the Belgian Science Policy Office (BELSPO) through the research program Science for a Sustainable Development – SDD, “Long-term role and fate of metal-sulfides in painted works of art – S2ART” (SD/RI/04A). The CATS gratefully acknowledge VILLUM FONDEN and VELUX FONDEN for infra-structural financial support as well as Anne Haack Christensen, Hannah Tempest and Johanne M. Nielsen for their help and suggestions. The European Synchrotron Radiation Facility is acknowledged for provision of synchrotron radiation facilities. ; | Approved | Most recent IF: 3.379 | ||
| Call Number | UA @ admin @ c:irua:135691 | Serial | 5907 | ||
| Permanent link to this record | |||||
| Author | Lachmann, T.; van der Snickt, G.; Haschke, M.; Mantouvalou, I. | ||||
| Title | Combined 1D, 2D and 3D micro-XRF techniques for the analysis of illuminated manuscripts | Type | A1 Journal article | ||
| Year |
2016 | Publication | Journal of analytical atomic spectrometry | Abbreviated Journal | |
| Volume | 31 | Issue | 10 | Pages | 1989-1997 |
| Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | The combination of several micro-XRF analysis modes is presented for the investigation of an illuminated parchment manuscript. With a commercial instrument, conventional micro-XRF spot analysis (0D) and mapping (2D) are performed, yielding detailed lateral elemental information. Depth resolution becomes accessible by mounting an additional polycapillary lens in front of an SDD detector. Quantitative confocal depth profiles (1D) are presented as well as the full separation of the front and the backside decorations with the help of fast 3D mappings of specific areas. Only through the use of these multidimensional modes can elemental information be assigned both to lateral and depth positions, making the analysis of such heterogeneous samples feasible. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000385362200004 | Publication Date | 2016-08-25 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0267-9477 | 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:144755 | Serial | 7679 | ||
| Permanent link to this record | |||||
| Author | Rezaei, M.; Saey, T.; Seuntjens, P.; Joris, I.; Boenne, W.; Van Meirvenne, M.; Cornelis, W. | ||||
| Title | Predicting saturated hydraulic conductivity in a sandy grassland using proximally sensed apparent electrical conductivity | Type | A1 Journal article | ||
| Year |
2016 | Publication | Journal of applied geophysics | Abbreviated Journal | |
| Volume | 126 | Issue | Pages | 35-41 | |
| Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Finding a correspondence between soil hydraulic properties, such as saturated hydraulic conductivity (Ks) and apparent electrical conductivity (ECa) as an easily measurable parameter, may be a way forward to estimate the spatial distribution of hydraulic properties at the field scale. In this study, the spatial distributions of Ks, of soil ECa measured by a DUALEM-21S sensor and of soil physical properties were investigated in a sandy grassland. To predict field scale Ks, the statistical relationship between co-located soil Ks, and EMI-ECa was evaluated. Results demonstrated the large spatial variability of all studied properties with Ks being the most variable one (CV = 86.21%) followed by ECa (CV >= 53.77%). A significant negative correlation was found between In-transformed Ks and ECa (r = 0.83; P <= 0.01) at two depths of exploration (0-50 and 0-100 cm). This site specific relation between In Ks and ECa was used to predict saturated hydraulic conductivity over 0-50 cm depth for the whole field. The empirical relation was validated using an independent dataset of measured Ks. The statistical results demonstrate the robustness of this empirical relation with mean estimation error MEE = 0.46 (cm h(-1)), root-mean-square estimation errors RMSEE = 0.74 (cm h(-1)), coefficient of determination r(2) = 0.67 and coefficient of model efficiency Ce = 0.64. The relationship was then used to produce a detailed map of Ks for the whole field. The result will allow model predictions of spatially distributed water content in view of irrigation management. (C) 2016 Elsevier B.V. All rights reserved. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000371361200004 | Publication Date | 2016-01-17 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0926-9851 | 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:132349 | Serial | 8403 | ||
| Permanent link to this record | |||||
| Author | De Schutter, B.; Van Stiphout, K.; Santos, N.M.; Bladt, E.; Jordan-Sweet, J.; Bals, S.; Lavoie, C.; Comrie, C.M.; Vantomme, A.; Detavernier, C. | ||||
| Title | Phase formation and texture of thin nickel germanides on Ge(001) and Ge(111) | Type | A1 Journal article | ||
| Year |
2016 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
| Volume | 119 | Issue | 119 | Pages | 135305 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | We studied the solid-phase reaction between a thin Nifilm and a single crystal Ge(001) or Ge(111) substrate during a ramp anneal. The phase formation sequence was determined using in situX-ray diffraction and in situRutherford backscattering spectrometry (RBS), while the nature and the texture of the phases were studied using X-ray pole figures and transmission electron microscopy. The phase sequence is characterized by the formation of a single transient phase before NiGe forms as the final and stable phase. X-ray pole figures were used to unambiguously identify the transient phase as the ϵ-phase, a non-stoichiometric Ni-rich germanide with a hexagonal crystal structure that can exist for Ge concentrations between 34% and 48% and which forms with a different epitaxial texture on both substrate orientations. The complementary information gained from both RBS and X-ray pole figure measurements revealed a simultaneous growth of both the ϵ-phase and NiGe over a small temperature window on both substrate orientations. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000374150200035 | Publication Date | 2016-04-05 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-8979 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.068 | Times cited | 14 | Open Access | OpenAccess |
| Notes | The authors thank the FWO-vlaanderen, BOF-UGent (under Contract No. “GOA 01G01513”) and the Hercules Foundation (under Project No. “AUGE/09/014”) for financial support. S. Bals acknowledges financial support from European Research Council (ERC Starting Grant No. “#335078-COLOURATOMS”). A. Vantomme thanks the BOF-KULeuven (under Contract No. “GOA/14/007”) and the Joint Science and Technology Collaboration between the FWO (G.0031.14) and NRF (UID88013). The National Synchrotron Light Source (NSLS), Brookhaven National Laboratory, was supported by the U.S. Department of Energy, Office of Basic Energy Sciences (Contract No. DE-AC02-98CH10886).; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:restricted); | Approved | Most recent IF: 2.068 | ||
| Call Number | c:irua:132897 | Serial | 4066 | ||
| Permanent link to this record | |||||
| Author | Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D. | ||||
| Title | First-principles study of the optoelectronic properties and photovoltaic absorber layer efficiency of Cu-based chalcogenides | Type | A1 Journal article | ||
| Year |
2016 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
| Volume | 120 | Issue | 120 | Pages | 085707 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | Cu-based chalcogenides are promising materials for thin-film solar cells with more than 20% measured cell efficiency. Using first-principles calculations based on density functional theory, the optoelectronic properties of a group of Cu-based chalcogenides Cu2-II-IV-VI4 is studied. They are then screened with the aim of identifying potential absorber materials for photovoltaic applications. The spectroscopic limited maximum efficiency (SLME) introduced by Yu and Zunger [Phys. Rev. Lett. 108, 068701 (2012)] is used as a metric for the screening. After constructing the currentvoltage curve, the SLME is calculated from the maximum power output. The role of the nature of the band gap, direct or indirect, and also of the absorptivity of the studied materials on the maximum theoretical power conversion efficiency is studied. Our results show that Cu2II-GeSe4 with II¼ Cd and Hg, and Cu2-II-SnS4 with II ¼ Cd, Hg, and Zn have a higher theoretical efficiency compared with the materials currently used as absorber layer. |
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| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000383913400074 | Publication Date | 2016-08-30 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-8979 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.068 | Times cited | 29 | Open Access | |
| Notes | We acknowledge the financial support from the FWO-Vlaanderen through project G.0150.13N and a GOA fund from the University of Antwerp. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), bothfunded by the FWO-Vlaanderen and the Flemish Government–department EWI. | Approved | Most recent IF: 2.068 | ||
| Call Number | c:irua:135089 | Serial | 4113 | ||
| Permanent link to this record | |||||
| Author | Clima, S.; Chen, Y.Y.; Chen, C.Y.; Goux, L.; Govoreanu, B.; Degraeve, R.; Fantini, A.; Jurczak, M.; Pourtois, G. | ||||
| Title | First-principles thermodynamics and defect kinetics guidelines for engineering a tailored RRAM device | Type | A1 Journal article | ||
| Year |
2016 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
| Volume | 119 | Issue | 119 | Pages | 225107 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Resistive Random Access Memories are among the most promising candidates for the next generation of non-volatile memory. Transition metal oxides such as HfOx and TaOx attracted a lot of attention due to their CMOS compatibility. Furthermore, these materials do not require the inclusion of extrinsic conducting defects since their operation is based on intrinsic ones (oxygen vacancies). Using Density Functional Theory, we evaluated the thermodynamics of the defects formation and the kinetics of diffusion of the conducting species active in transition metal oxide RRAM materials. The gained insights based on the thermodynamics in the Top Electrode, Insulating Matrix and Bottom Electrode and at the interfaces are used to design a proper defect reservoir, which is needed for a low-energy reliable switching device. The defect reservoir has also a direct impact on the retention of the Low Resistance State due to the resulting thermodynamic driving forces. The kinetics of the diffusing conducting defects in the Insulating Matrix determine the switching dynamics and resistance retention. The interface at the Bottom Electrode has a significant impact on the low-current operation and long endurance of the memory cell. Our first-principles findings are confirmed by experimental measurements on fabricated RRAM devices. Published by AIP Publishing. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000378925400035 | Publication Date | 2016-06-10 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-8979; 1089-7550 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.068 | Times cited | 17 | Open Access | |
| Notes | Approved | Most recent IF: 2.068 | |||
| Call Number | UA @ lucian @ c:irua:134651 | Serial | 4181 | ||
| Permanent link to this record | |||||
| Author | Van de Put, M.L.; Vandenberghe, W.G.; Sorée, B.; Magnus, W.; Fischetti, M.V. | ||||
| Title | Inter-ribbon tunneling in graphene: An atomistic Bardeen approach | Type | A1 Journal article | ||
| Year |
2016 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
| Volume | 119 | Issue | 119 | Pages | 214306 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | A weakly coupled system of two crossed graphene nanoribbons exhibits direct tunneling due to the overlap of the wavefunctions of both ribbons. We apply the Bardeen transfer Hamiltonian formalism, using atomistic band structure calculations to account for the effect of the atomic structure on the tunneling process. The strong quantum-size confinement of the nanoribbons is mirrored by the one-dimensional character of the electronic structure, resulting in properties that differ significantly from the case of inter-layer tunneling, where tunneling occurs between bulk two-dimensional graphene sheets. The current-voltage characteristics of the inter-ribbon tunneling structures exhibit resonance, as well as stepwise increases in current. Both features are caused by the energetic alignment of one-dimensional peaks in the density-of-states of the ribbons. Resonant tunneling occurs if the sign of the curvature of the coupled energy bands is equal, whereas a step-like increase in the current occurs if the signs are opposite. Changing the doping modulates the onset-voltage of the effects as well as their magnitude. Doping through electrostatic gating makes these structures promising for application towards steep slope switching devices. Using the atomistic empirical pseudopotentials based Bardeen transfer Hamiltonian method, inter-ribbon tunneling can be studied for the whole range of two-dimensional materials, such as transition metal dichalcogenides. The effects of resonance and of step-like increases in the current we observe in graphene ribbons are also expected in ribbons made from these alternative two-dimensional materials, because these effects are manifestations of the one-dimensional character of the density-of-states. Published by AIP Publishing. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000378923100022 | Publication Date | 2016-06-07 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-8979; 1089-7550 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.068 | Times cited | 6 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 2.068 | ||
| Call Number | UA @ lucian @ c:irua:134652 | Serial | 4198 | ||
| Permanent link to this record | |||||
| Author | Andrikopoulos, D.; Sorée, B.; De Boeck, J. | ||||
| Title | Skyrmion-induced bound states on the surface of three-dimensional topological insulators | Type | A1 Journal article | ||
| Year |
2016 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
| Volume | 119 | Issue | 119 | Pages | 193903 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The interaction between the surface of a 3D topological insulator and a skyrmion/anti-skyrmion structure is studied in order to investigate the possibility of electron confinement due to the skyrmion presence. Both hedgehog (Neel) and vortex (Bloch) skyrmions are considered. For the hedgehog skyrmion, the in-plane components cannot be disregarded and their interaction with the surface state of the topological insulator (TI) has to be taken into account. A semi-classical description of the skyrmion chiral angle is obtained using the variational principle. It is shown that both the hedgehog and the vortex skyrmion can induce bound states on the surface of the TI. However, the number and the properties of these states depend strongly on the skyrmion type and the skyrmion topological number N-Sk. The probability densities of the bound electrons are also derived where it is shown that they are localized within the skyrmion region. Published by AIP Publishing. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000377718100013 | Publication Date | 2016-05-18 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-8979; 1089-7550 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.068 | Times cited | 8 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 2.068 | ||
| Call Number | UA @ lucian @ c:irua:134607 | Serial | 4244 | ||
| Permanent link to this record | |||||
| Author | Frota, D.A.; Chaves, A.; Ferreira, W.P.; Farias, G.A.; Milošević, M.V. | ||||
| Title | Superconductor-ferromagnet bilayer under external drive : the role of vortex-antivortex matter | Type | A1 Journal article | ||
| Year |
2016 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
| Volume | 119 | Issue | 119 | Pages | 093912 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Using advanced Ginzburg-Landau simulations, we study the superconducting state of a thin superconducting film under a ferromagnetic layer, separated by an insulating oxide, in applied external magnetic field and electric current. The taken uniaxial ferromagnet is organized into a series of parallel domains with alternating polarization of out-of-plane magnetization, sufficiently strong to induce vortex-antivortex pairs in the underlying superconductor in absence of other magnetic field. We show the organization of such vortex-antivortex matter into rich configurations, some of which are not matching the periodicity of the ferromagnetic film. The variety of possible configurations is enhanced by applied homogeneous magnetic field, where additional vortices in the superconductor may lower the energy of the system by either annihilating the present antivortices under negative ferromagnetic domains or by lowering their own energy after positioning under positive ferromagnetic domains. As a consequence, both the vortex-antivortex reordering in increasing external field and the evolution of the energy of the system are highly nontrivial. Finally, we reveal the very interesting effects of applied dc electric current on the vortex-antivortex configurations, since resulting Lorentzian force has opposite direction for vortices and antivortices, while direction of the applied current with respect to ferromagnetic domains is of crucial importance for the interaction of the applied and the Meissner current, as well as the consequent vortex-antivortex dynamics-both of which are reflected in the anisotropic critical current of the system. (C) 2016 AIP Publishing LLC. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000372351900018 | Publication Date | 2016-03-07 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-8979; 1089-7550 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.068 | Times cited | 4 | Open Access | |
| Notes | ; This work was supported by the Brazilian agencies CNPq, PRONEX/FUNCAP, and CAPES, and the Research Foundation-Flanders (FWO). ; | Approved | Most recent IF: 2.068 | ||
| Call Number | UA @ lucian @ c:irua:133200 | Serial | 4255 | ||
| Permanent link to this record | |||||
| Author | Fatima; Oguz, I.C.; Çakir, D.; Hossain, S.; Mohottige, R.; Gulseren, O.; Oncel, N. | ||||
| Title | On the structural and electronic properties of Ir-silicide nanowires on Si(001) surface | Type | A1 Journal article | ||
| Year |
2016 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
| Volume | 120 | Issue | 120 | Pages | 095303 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Iridium (Ir) modified Silicon (Si) (001) surface is studied with Scanning Tunneling Microscopy/Spectroscopy (STM/STS) and Density Functional Theory (DFT). A model for Ir-silicide nanowires based on STM images and ab-initio calculations is proposed. According to our model, the Ir adatom is on the top of the substrate dimer row and directly binds to the dimer atoms. I-V curves measured at 77K shows that the nanowires are metallic. DFT calculations confirm strong metallic nature of the nanowires. Published by AIP Publishing. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000383978100030 | Publication Date | 2016-09-01 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-8979; 1089-7550 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.068 | Times cited | 7 | Open Access | |
| Notes | ; We gratefully acknowledge the NSF (Grant No. DMR-1306101) for financial support. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. ; | Approved | Most recent IF: 2.068 | ||
| Call Number | UA @ lucian @ c:irua:137132 | Serial | 4359 | ||
| Permanent link to this record | |||||
| Author | Mohammed, M.; Verhulst, A.S.; Verreck, D.; Van de Put, M.; Simoen, E.; Sorée, B.; Kaczer, B.; Degraeve, R.; Mocuta, A.; Collaert, N.; Thean, A.; Groeseneken, G. | ||||
| Title | Electric-field induced quantum broadening of the characteristic energy level of traps in semiconductors and oxides | Type | A1 Journal article | ||
| Year |
2016 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
| Volume | 120 | Issue | 120 | Pages | 245704 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The trap-assisted tunneling (TAT) current in tunnel field-effect transistors (TFETs) is one of the crucial factors degrading the sub-60 mV/dec sub-threshold swing. To correctly predict the TAT currents, an accurate description of the trap is required. Since electric fields in TFETs typically reach beyond 10(6) V/cm, there is a need to quantify the impact of such high field on the traps. We use a quantum mechanical implementation based on the modified transfer matrix method to obtain the trap energy level. We present the qualitative impact of electric field on different trap configurations, locations, and host materials, including both semiconductors and oxides. We determine that there is an electric-field related trap level shift and level broadening. We find that these electric-field induced quantum effects can enhance the trap emission rates. Published by AIP Publishing. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000392174000028 | Publication Date | 2016-12-26 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-8979; 1089-7550 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.068 | Times cited | 6 | Open Access | |
| Notes | ; This work was supported by imec's Industrial Affiliation Program. D. Verreck acknowledges the support of a PhD stipend from IWT-Vlaanderen. ; | Approved | Most recent IF: 2.068 | ||
| Call Number | UA @ lucian @ c:irua:141481 | Serial | 4593 | ||
| Permanent link to this record | |||||
| Author | Torun, E.; Sahin, H.; Cahangirov, S.; Rubio, A.; Peeters, F.M. | ||||
| Title | Anisotropic electronic, mechanical, and optical properties of monolayer WTe2 | Type | A1 Journal article | ||
| Year |
2016 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
| Volume | 119 | Issue | 7 | Pages | 074307 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Using first-principles calculations, we investigate the electronic, mechanical, and optical properties of monolayer WTe2. Atomic structure and ground state properties of monolayer WTe2 (T-d phase) are anisotropic which are in contrast to similar monolayer crystals of transition metal dichalcogenides, such as MoS2, WS2, MoSe2, WSe2, and MoTe2, which crystallize in the H-phase. We find that the Poisson ratio and the in-plane stiffness is direction dependent due to the symmetry breaking induced by the dimerization of the W atoms along one of the lattice directions of the compound. Since the semimetallic behavior of the T-d phase originates from this W-W interaction (along the a crystallographic direction), tensile strain along the dimer direction leads to a semimetal to semiconductor transition after 1% strain. By solving the Bethe-Salpeter equation on top of single shot G(0)W(0) calculations, we predict that the absorption spectrum of T-d-WTe2 monolayer is strongly direction dependent and tunable by tensile strain. (C) 2016 AIP Publishing LLC. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000375158000022 | Publication Date | 2016-02-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-8979; 1089-7550 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.068 | Times cited | 62 | Open Access | |
| Notes | ; This work was supported by the Flemish Science Foundation (FWO-V1) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. was supported by a FWO Pegasus Long Marie Curie Fellowship. S.C. and A.R. acknowledge the financial support from the Marie Curie grant FP7-PEOPLE-2013-IEF Project No. 628876, European Research Council (ERC-2010-AdG-267374), Spanish grant (FIS2013-46159-C3-1-P), Grupos Consolidados (IT578-13), and AFOSR Grant No. FA2386-15-1-0006 AOARD 144088, H2020-NMP-2014 project MOSTOPHOS, GA No. SEP-210187476, and COST Action MP1306 (EUSpec). S.C. acknowledges the support from The Scientific and Technological Research Council of Turkey (TUBITAK) under Project No. 115F388. ; | Approved | Most recent IF: 2.068 | ||
| Call Number | UA @ lucian @ c:irua:144747 | Serial | 4640 | ||
| Permanent link to this record | |||||
| Author | Berdiyorov, G.R.; Mortazavi, B.; Ahzi, S.; Peeters, F.M.; Khraisheh, M.K. | ||||
| Title | Effect of straining graphene on nanopore creation using Si cluster bombardment: A reactive atomistic investigation | Type | A1 Journal article | ||
| Year |
2016 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
| Volume | 120 | Issue | 120 | Pages | 225108 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Graphene nanosheets have recently received a revival of interest as a new class of ultrathin, high-flux, and energy-efficient sieving membranes because of their unique two-dimensional and atomically thin structure, good flexibility, and outstanding mechanical properties. However, for practical applications of graphene for advanced water purification and desalination technologies, the creation of well controlled, high-density, and subnanometer diameter pores becomes a key factor. Here, we conduct reactive force-field molecular dynamics simulations to study the effect of external strain on nanopore creation in the suspended graphene by bombardment with Si clusters. Depending on the size and energy of the clusters, different kinds of topography were observed in the graphene sheet. In all the considered conditions, tensile strain results in the creation of nanopores with regular shape and smooth edges. On the contrary, compressive strain increases the elastic response of graphene to irradiation that leads to the formation of net-like defective structures with predominantly carbon atom chains. Our findings show the possibility of creating controlled nanopores in strained graphene by bombardment with Si clusters. Published by AIP Publishing. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000391535900022 | Publication Date | 2016-12-15 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-8979; 1089-7550 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.068 | Times cited | 10 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 2.068 | ||
| Call Number | UA @ lucian @ c:irua:141451 | Serial | 4554 | ||
| Permanent link to this record | |||||
| Author | Trashin, S.; De Jong, M.; Luyckx, E.; Dewilde, S.; De Wael, K. | ||||
| Title | Electrochemical evidence for neuroglobin activity on NO at physiological concentrations | Type | A1 Journal article | ||
| Year |
2016 | Publication | Journal of biological chemistry | Abbreviated Journal | J Biol Chem |
| Volume | 291 | Issue | 36 | Pages | 18959-18966 |
| Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | The true function of neuroglobin (Ngb) and, particularly, human Ngb (NGB) has been under debate since its discovery 15 years ago. It has been expected to play a role in oxygen binding/supply, but a variety of other functions have been put forward, including NO dioxygenase activity. However, in vitro studies that could unravel these potential roles have been hampered by the lack of an Ngb-specific reductase. In this work, we used electrochemical measurements to investigate the role of an intermittent internal disulfide bridge in determining NO oxidation kinetics at physiological NO concentrations. The use of a polarized electrode to efficiently interconvert the ferric (Fe3+) and ferrous (Fe2+) forms of an immobilized NGB showed that the disulfide bridge both defines the kinetics of NO dioxygenase activity and regulates appearance of the free ferrous deoxy-NGB, which is the redox active form of the protein in contrast to oxy-NGB. Our studies further identified a role for the distal histidine, interacting with the hexacoordinated iron atom of the heme, in oxidation kinetics. These findings may be relevant in vivo, for example in blocking apoptosis by reduction of ferric cytochrome c, and gentle tuning of NO concentration in the tissues. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000383242300031 | Publication Date | 2016-07-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-9258; 1083-351x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.125 | Times cited | 11 | Open Access | |
| Notes | ; This work was supported by Fonds Wetenschappelijk Onderzoek (FWO) Grant G.0687.13 and Universiteit Antwerpen GOA BOF 28312. The authors declare that they have no conflicts of interest with the contents of this article. ; | Approved | Most recent IF: 4.125 | ||
| Call Number | UA @ admin @ c:irua:134340 | Serial | 5590 | ||
| Permanent link to this record | |||||
| Author | Keulemans, M.; Verbruggen, S.W.; Hauchecorne, B.; Martens, J.A.; Lenaerts, S. | ||||
| Title | Activity versus selectivity in photocatalysis : morphological or electronic properties tipping the scale | Type | A1 Journal article | ||
| Year |
2016 | Publication | Journal of catalysis | Abbreviated Journal | J Catal |
| Volume | 344 | Issue | Pages | 221-228 | |
| Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | In this paper a structure-activity and structure-selectivity relation is established for three commercial TiO2 sources (P25, P90, and PC500). Morphological and electronic parameters of the photocatalysts are determined using widely applicable and inexpensive characterization procedures. More specifically, the electronic properties are rigorously characterized using an electron titration method yielding quantitative information on the amount of defect sites present in the catalyst. Surface photovoltage measurements on the other hand provide complementary information on the charge carrier recombination process. As model reaction, the degradation of a solid layer of stearic acid is studied using an in situ FTIR reaction cell that enables to investigate the catalyst surface and possible formation of reaction intermediates while the reactions are ongoing. We show that the order of photocatalytic conversion is PC500 > P90 > P25, matching the order of favorable morphological properties. In terms of selectivity to CO2 formation (complete mineralization), however, this trend is reversed: P25 > P90 > PC500, now matching the order of advantageous electronic properties, i.e. low charge carrier recombination and high charge carrier generation. With this we intend to provide new mechanistic insights using a wide variety of physical, (wet) chemical and operando analysis methods that aid the development of performant (self-cleaning) photocatalytic materials. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000390182800022 | Publication Date | 2016-10-15 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-9517 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.844 | Times cited | 10 | Open Access | |
| Notes | ; M.K. acknowledges Flemish Agency for Innovation & Entrepreneurship for the doctoral scholarship. S.W.V. acknowledges the Fonds Wetenschappelijk Onderzoek (FWO) for a post-doctoral fellowship. J.A.M. acknowledges the Flemish government for long-term structural funding (Methusalem). ; | Approved | Most recent IF: 6.844 | ||
| Call Number | UA @ admin @ c:irua:136339 | Serial | 5926 | ||
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| Author | Kamaraj, B.; Purohit, R. | ||||
| Title | Mutational Analysis on Membrane Associated Transporter Protein (MATP) and Their Structural Consequences in Oculocutaeous Albinism Type 4 (OCA4)A Molecular Dynamics Approach | Type | A1 Journal article | ||
| Year |
2016 | Publication | Journal of cellular biochemistry | Abbreviated Journal | J Cell Biochem |
| Volume | 117 | Issue | 11 | Pages | 2608-2619 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | New York, N.Y. | Editor | ||
| Language | Wos | 000383626800017 | Publication Date | 2016-03-28 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0730-2312 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.085 | Times cited | 28 | Open Access | |
| Notes | Approved | Most recent IF: 3.085 | |||
| Call Number | UA @ lucian @ c:irua:144634 | Serial | 4671 | ||
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| Author | Sóti, V.; Jacquet, N.; Apers, S.; Richel, A.; Lenaerts, S.; Cornet, I. | ||||
| Title | Monitoring the laccase reaction of vanillin and poplar hydrolysate | Type | A1 Journal article | ||
| Year |
2016 | Publication | Journal of chemical technology and biotechnology | Abbreviated Journal | J Chem Technol Biot |
| Volume | 91 | Issue | 6 | Pages | 1914-1922 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Biochemical Wastewater Valorization & Engineering (BioWaVE) | ||||
| Abstract | BACKGROUND Laccase is an intensively researched enzyme for industrial use. Except for decolorisation measurements, HPLC analysis is the conventional method for monitoring the phenolic removal during laccase enzyme reaction. This paper reports an investigation of the continuous UV absorbance follow-up of the laccase reaction with steam pretreated poplar hydrolysate. RESULTS Vanillin was used as a model substrate and lignocellulose xylose rich fraction (XRF) as a biologically complex substrate for laccase detoxification. The reaction was followed by HPLC-UV as well as by UV spectrometric measurements. Results suggest that the reaction can be successfully monitored by measuring the change of UV absorbance at 280 nm, without previous compound separation. In case of XRF experiments the spectrophotometric follow-up is especially useful, as HPLC analysis takes a long time and provides less information than in case of single substrates. The method seems to be suitable for optimization and process control. CONCLUSION The obtained results can help to construct a fast, easy and straightforward monitoring system for laccase-phenolic substrate reactions. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000375768300040 | Publication Date | 2015-07-29 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0268-2575; 1097-4660 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.135 | Times cited | 3 | Open Access | |
| Notes | ; This research is financed by the University of Antwerp (project number 15 FA100 002). ; | Approved | Most recent IF: 3.135 | ||
| Call Number | UA @ admin @ c:irua:127694 | Serial | 5972 | ||
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| Author | Kim, E.; Spooren, J.; Broos, K.; Nielsen, P.; Horckmans, L.; Geurts, R.; Vrancken, K.C.; Quaghebeur, M. | ||||
| Title | Valorization of stainless steel slag by selective chromium recovery and subsequent carbonation of the matrix material | Type | A1 Journal article | ||
| Year |
2016 | Publication | Journal of cleaner production | Abbreviated Journal | |
| Volume | 117 | Issue | Pages | 221-228 | |
| Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | This study focuses on the recycling of stainless steel (SS) slags containing about 1.2 wt% of chromium (Cr). The selective recovery of Cr from SS slag by a hydrometallurgical method (alkaline pressure leaching) was investigated. Leaching experiments were carried out based on 2(4-1) factorial design of experiment (DOE) with the following parameters: NaOH concentration, temperature, leaching time, and mechanical activation (MA). Results show that temperature and MA are the most influencing factors for an enhanced Cr leaching. The maximum Cr leaching was 46% at 1 M NaOH, 240 degrees C, 6 h, MA 30 min, while the matrix material was dissolved only to a limited extent (Al 2.88%, Si 0.12%, Ca 0.05%). After Cr leaching followed by alkali washing, a carbonation treatment is proposed to stabilize the remaining Cr in the matrix material and make the subsequent recycling of the matrix material as a construction material possible. (C) 2016 Elsevier Ltd. All rights reserved. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000371552200025 | Publication Date | 2016-01-23 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0959-6526 | 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:132432 | Serial | 8731 | ||
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| Author | Stosic, D.; Stosic, D.; Ludermir, T.; Stosic, B.; Milošević, M.V. | ||||
| Title | GPU-advanced 3D electromagnetic simulations of superconductors in the Ginzburg-Landau formalism | Type | A1 Journal article | ||
| Year |
2016 | Publication | Journal of computational physics | Abbreviated Journal | J Comput Phys |
| Volume | 322 | Issue | 322 | Pages | 183-198 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Ginzburg-Landau theory is one of the most powerful phenomenological theories in physics, with particular predictive value in superconductivity. The formalism solves coupled nonlinear differential equations for both the electronic and magnetic responsiveness of a given superconductor to external electromagnetic excitations. With order parameter varying on the short scale of the coherence length, and the magnetic field being long-range, the numerical handling of 3D simulations becomes extremely challenging and time-consuming for realistic samples. Here we show precisely how one can employ graphics-processing units (GPUs) for this type of calculations, and obtain physics answers of interest in a reasonable time-frame – with speedup of over 100x compared to best available CPU implementations of the theory on a 2563grid. (C) 2016 Elsevier Inc. All rights reserved. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | New York | Editor | ||
| Language | Wos | 000381585100010 | Publication Date | 2016-06-28 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-9991 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.744 | Times cited | 4 | Open Access | |
| Notes | ; This work was supported through research grants from Brazilian agencies CNPq (306719/2012-6, 140840/2016-8) and FACEPE (IBPG-0510-1.03/15), BOF-UA, and the Research Foundation-Flanders (FWO-Vlaanderen). ; | Approved | Most recent IF: 2.744 | ||
| Call Number | UA @ lucian @ c:irua:137115 | Serial | 4354 | ||
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| Author | De Schepper, E.; Van Passel, S.; Lizin, S.; Vincent, T.; Martin, B.; Gandibleux, X. | ||||
| Title | Economic and environmental multi-objective optimization to evaluate the impact of Belgian policy on solar power and electric vehicles | Type | A1 Journal article | ||
| Year |
2016 | Publication | Journal of environmental economics and policy | Abbreviated Journal | |
| Volume | 5 | Issue | 1 | Pages | 1-27 |
| Keywords | A1 Journal article; Economics; Engineering Management (ENM) | ||||
| Abstract | This research uses multi-objective optimisation to determine the optimal mixture of energy and transportation technologies, while optimising economic and environmental impacts. We demonstrate the added value of using multi-objective mixed integer linear programming (MOMILP) considering economies of scale versus using continuous multi-objective linear programming assuming average cost intervals. This paper uses an improved version to solve MOMILPs exactly. To differentiate optimal solutions with and without subsidies, the impact of policy on the Pareto frontier is assessed. We distinguish between minimising economic life cycle costs (complete rationality) and required investments (bounded rationality). The approach is illustrated using a Belgian company with demands for electricity and transport. Electricity technologies are solar photovoltaics and the grid; transportation includes internal combustion engine vehicles, grid powered battery electric vehicles (BEVs), and solar-powered BEVs. The impact of grid powered BEVs to reduce GHG emissions is limited, yet they are less costly than solar panels to decrease emissions. Current policy measures are found to be properly targeting rational investors who consider life cycle costs, while private (potentially bounded rational) investors often focus on required investments only. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2015-03-12 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2160-6544 | ISBN | Additional Links | UA library record | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:136756 | Serial | 6186 | ||
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| Author | Hosseininia, G.; Rafiaani Khachak, P.; Nooripoor, M.; Van Passel, S.; Azadi, H. | ||||
| Title | Understanding communicational behavior among rangelands' stakeholders : application of social network analysis | Type | A1 Journal article | ||
| Year |
2016 | Publication | Journal Of Environmental Planning And Management | Abbreviated Journal | J Environ Plann Man |
| Volume | 59 | Issue | 2 | Pages | 320-341 |
| Keywords | A1 Journal article; Economics; Engineering Management (ENM) | ||||
| Abstract | Understanding communicational behavior of rangelands stakeholders is fundamental for effective development of rangeland management plans. This study aimed to understand differences between stakeholders relations among various actors involved in rangeland management using social network analysis (SNA). A survey was conducted on 334 stakeholders (89 extension agents, 110 researchers and 135 executive agents) in the Tehran province, Iran. Results showed that all the three groups of stakeholders are interested in making contact mainly within their own group. Furthermore, while the executive agents have shared the strongest technical and friendship relations with the two other groups, the extension agents established the strongest administrative interactions. The researchers, however, made a poor link especially with the extension agents. The study concluded that SNA could be an efficient tool to assess communicational behavior in rangeland management. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000366383400008 | Publication Date | 2015-03-17 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0964-0568 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.56 | Times cited | 1 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 1.56 | ||
| Call Number | UA @ admin @ c:irua:136755 | Serial | 6274 | ||
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| Author | Rezaei, M.; Seuntjens, P.; Shahidi, R.; Joris, I.; Boenne, W.; Al-Barri, B.; Cornelis, W. | ||||
| Title | The relevance of in-situ and laboratory characterization of sandy soil hydraulic properties for soil water simulations | Type | A1 Journal article | ||
| Year |
2016 | Publication | Journal of hydrology | Abbreviated Journal | |
| Volume | 534 | Issue | Pages | 251-265 | |
| Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Field water flow processes can be precisely delineated with proper sets of soil hydraulic properties derived from in situ and/or laboratory experiments. In this study we analyzed and compared soil hydraulic properties obtained by traditional laboratory experiments and inverse optimization tension infiltrometer data along the vertical direction within two typical Podzol profiles with sand texture in a potato field. The main goal was to identify proper sets of hydraulic parameters and to evaluate their relevance on hydrological model performance for irrigation management purposes. Tension disc infiltration experiments were carried out at four and five different depths for both profiles at consecutive negative pressure heads of 12, 6, 3 and 0.1 cm. At the same locations and depths undisturbed samples were taken to determine Mualem-van Genuchten (MVG) hydraulic parameters (theta(r), residual water content, theta(s), saturated water content, alpha and n, shape parameters and K-ls, saturated hydraulic conductivity) in the laboratory. Results demonstrated horizontal differences and vertical variability of hydraulic properties. The tension disc infiltration data fitted well in inverse modeling using Hydrus 2D/3D in combination with final water content at the end of the experiment, theta(f). Four MVG parameters (theta(s), alpha, n and field saturated hydraulic conductivity K-fs) were estimated (theta(r) set to zero), with estimated K-ls and alpha values being relatively similar to values from Wooding's solution which used as initial value and estimated theta(s) corresponded to (effective) field saturated water content, theta(f). The laboratory measurement of K-ls yielded 2-30 times higher values than the field method K-fs from top to subsoil layers, while there was a significant correlation between both K-s values (r = 0.75). We found significant differences of MVG parameters theta(s), n and alpha values between laboratory and field measurements, but again a significant correlation was observed between laboratory and field MVG parameters namely K-s, n, theta(s) (r >= 0.59). Assessment of the parameter relevance in 1-D model simulations, illustrated that the model over predicted and under predicted top soil-water content using laboratory and field experiments data sets respectively. The field MVG parameter data set resulted in better agreement to observed soil-water content as compared to the laboratory data set at nodes 10 and 20 cm. However, better simulation results were achieved using the laboratory data set at 30-60 cm depths. Results of our study do not confirm whether laboratory or field experiments data sets are most appropriate to predict soil water fluctuations in a complete soil profile, while field experiments are preferred in many studies. (C) 2016 Elsevier B.V. All rights reserved. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000371940900022 | Publication Date | 2016-01-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0022-1694 | 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:133161 | Serial | 8657 | ||
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