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Author Grubova, I.Y.; Surmeneva, M.A.; Huygh, S.; Surmenev, R.A.; Neyts, E.C.
  Title Density functional theory study of interface interactions in hydroxyapatite/rutile composites for biomedical applications Type A1 Journal article
  Year 2017 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 121 Issue 29 Pages 15687-15695
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract To gain insight into the nature of the adhesion mechanism between hydroxyapatite (HA) and rutile (rTiO(2)), the mutual affinity between their surfaces was systematically studied using density functional theory (DFT). We calculated both bulk and surface properties of HA and rTiO(2), and explored the interfacial bonding mechanism of amorphous HA (aHA) surface onto amorphous as well as stoichiometric and nonstoichiometric crystalline rTiO(2). Formation energies of bridging and subbridging oxygen vacancies considered in the rTiO(2)(110) surface were evaluated and compared with other theoretical and experimental results. The interfacial interaction was evaluated through the work of adhesion. For the aHA/rTiO(2)(110) interfaces, the work of adhesion is found to depend strongly on the chemical environment of the rTiO(2)(110) surface. Electronic analysis indicates that the charge transfer is very small in the case of interface formation between aHA and crystalline rTiO(2)(110). In contrast, significant charge transfer occurs between aHA and amorphous rTiO(2) (aTiO(2)) slabs during the formation of the interface. Charge density difference (CDD) analysis indicates that the dominant interactions in the interface have significant covalent character, and in particular the Ti-O and Ca-O bonds. Thus, the obtained results reveal that the aHA/aTiO(2) interface shows a more preferable interaction and is thermodynamically more stable than other interfaces. These results are particularly important for improving the long-term stability of HA-based implants.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000406726200022 Publication Date (down) 2017-06-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 5 Open Access Not_Open_Access
  Notes Approved Most recent IF: 4.536
  Call Number UA @ lucian @ c:irua:145195 Serial 4715
Permanent link to this record
 

 
Author Jacquet, Q.; Perez, A.; Batuk, D.; Van Tendeloo, G.; Rousse, G.; Tarascon, J.-M.
  Title The Li3RuyNb1-yO4 (0 ≤y≤ 1) System: Structural Diversity and Li Insertion and Extraction Capabilities Type A1 Journal article
  Year 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 29 Issue 12 Pages 5331-5343
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Searching for novel high-capacity electrode materials combining cationic and anionic redox processes is an ever-growing activity within the field of Li-ion batteries. In this respect, we report on the exploration of the Li3RuyNb1-yO4 (O <= y <= 1) system with an O/M ratio of 4 to maximize the number of oxygen lone pairs, responsible for the anionic redox. We show that this system presents a very rich crystal chemistry with the existence of four structural types, which derive from the rocksalt structure but differ in their cationic arrangement, creating either zigzag, helical, jagged chains or clusters. From an electrochemical standpoint, these compounds are active on reduction via a classical cationic insertion process. The oxidation process is more complex, because of the instability of the delithiated phase. Our results promote the use of the rich Li3MO4 family as a viable platform for a better understanding of the relationships between structure and anionic redox activity.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000404493100036 Publication Date (down) 2017-06-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.466 Times cited 17 Open Access Not_Open_Access
  Notes The authors thank Paul Pearce, Alexis Grimaud, Matthieu Saubanere, and Marie-Liesse Doublet for fruitful discussions, Vivian Nassif for her help in neutron diffraction experiment at the D1B diffractometer at ILL, and Dominique Foix for XPS analysis. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. Q.J. thanks the ANR “Deli-Redox” for Ph.D. funding. J.-M.T. and D.B. acknowledge funding from the European Research Council (ERC) (FP/2014)/ERC Grant -Project 670116-ARPEMA. Approved Most recent IF: 9.466
  Call Number EMAT @ emat @c:irua:147506 Serial 4776
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Author de Araujo, J.L.B.; Munarin, F.F.; Farias, G.A.; Peeters, F.M.; Ferreira, W.P.
  Title Structure and reentrant percolation in an inverse patchy colloidal system Type A1 Journal article
  Year 2017 Publication Physical Review E Abbreviated Journal
  Volume 95 Issue 6 Pages 062606
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Two-dimensional systems of inverse patchy colloids modeled as disks with a central charge and having their surface decorated with oppositely pointlike charged patches are investigated using molecular dynamics simulations. The self-assembly of the patchy colloids leads to diverse ground state configurations ranging from crystalline arrangements of monomers to linear clusters, ramified linear clusters and to percolated configurations. Two structural phase diagrams are constructed: (1) as a function of the net charge and area fraction, and (2) as a function of the net charge and the range of the pair interaction potential. An interesting reentrant percolation transition is obtained as a function of the net charge of the colloids. We identify distinct mechanisms that lead to the percolation transition.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000404545700005 Publication Date (down) 2017-06-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 5 Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:152628 Serial 8587
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Author Stosic, D.; Mulkers, J.; Van Waeyenberge, B.; Ludermir, T.B.; Milošević, M.V.
  Title Paths to collapse for isolated skyrmions in few-monolayer ferromagnetic films Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 95 Issue 21 Pages 214418
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Magnetic skyrmions are topological spin configurations in materials with chiral Dzyaloshinskii-Moriya interaction (DMI), that are potentially useful for storing or processing information. To date, DMI has been found in few bulk materials, but can also be induced in atomically thin magnetic films in contact with surfaces with large spin-orbit interactions. Recent experiments have reported that isolated magnetic skyrmions can be stabilized even near room temperature in few-atom-thick magnetic layers sandwiched between materials that provide asymmetric spin-orbit coupling. Here we present the minimum-energy path analysis of three distinct mechanisms for the skyrmion collapse, based on ab initio input and the performed atomic-spin simulations. We focus on the stability of a skyrmion in three atomic layers of Co, either epitaxial on the Pt(111) surface or within a hybrid multilayer where DMI nontrivially varies per monolayer due to competition between different symmetry breaking from two sides of the Co film. In laterally finite systems, their constrained geometry causes poor thermal stability of the skyrmion toward collapse at the boundary, which we show to be resolved by designing the high-DMI structure within an extended film with lower or no DMI.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000404015500001 Publication Date (down) 2017-06-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 48 Open Access
  Notes This work was supported by the Research Foundation, Flanders (FWO-Vlaanderen) and Brazilian agency CNPq (Grants No. 442668/2014-7 and No. 140840/2016-8). Approved Most recent IF: 3.836
  Call Number CMT @ cmt @c:irua:144865 Serial 4704
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Author Sakarika, M.; Kornaros, M.
  Title Kinetics of growth and lipids accumulation in Chlorella vulgaris during batch heterotrophic cultivation : effect of different nutrient limitation strategies Type A1 Journal article
  Year 2017 Publication Bioresource technology Abbreviated Journal
  Volume 243 Issue Pages 356-365
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract The present study aimed at: (1) determining the effect of sulfur addition on biomass growth and (2) assessing the effect of sulfur, phosphorus and nitrogen limitation on lipid accumulation by C. vulgaris SAG 211-11b. The sulfur cellular content was more than two-fold higher under nitrogen and phosphorus limitation (0.52% and 0.54% w w(-1), respectively) compared to sulfur requirements (0.20% w w(-1)) under sulfur limiting conditions. The nitrogen needs are significantly lower (2.81-3.35% w w(-1)) when compared to other microalgae and become 23% lower under nitrogen or phosphorus limitation. The microalga exhibited substrate inhibition above 30 g L-1 initial glucose concentration. Sulfur limitation had the most significant effect on lipid accumulation, resulting in maximum total lipid content of 53.43 +/- 3.93% g g(DW)(1). In addition to enhancing lipid productivity, adopting the optimal nutrient limitation strategy can result in cost savings by avoiding unnecessary nutrient additions and eliminate the environmental burden due to wasted resources. (C) 2017 Elsevier Ltd. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000411239300042 Publication Date (down) 2017-06-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0960-8524 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:146663 Serial 8139
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Author Esquivel, D.; Ouwehand, J.; Meledina, M.; Turner, S.; Tendeloo, G.V.; Romero-Salguero, F.J.; Clercq, J.D.; Voort, P.V.D.
  Title Thiol-ethylene bridged PMO: A high capacity regenerable mercury adsorbent via intrapore mercury thiolate crystal formation Type A1 Journal article
  Year 2017 Publication Journal of hazardous materials Abbreviated Journal J Hazard Mater
  Volume 339 Issue 339 Pages 368-377
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Highly ordered thiol-ethylene bridged Periodic Mesoporous Organosilicas were synthesized directly from a homemade thiol-functionalized bis-silane precursor. These high surface area materials contain up to 4.3 mmol/g sulfur functions in the walls and can adsorb up to 1183 mg/g mercury ions. Raman spectroscopy reveals the existence of thiol and disulfide moieties. These groups have been evaluated by a combination of Raman spectroscopy, Ellman’s reagent and elemental analysis. The adsorption of mercury ions was evidenced by different techniques, including Raman, XPS and porosimetry, which indicate that thiol groups are highly accessible to mercury. Scanning transmission electron microscopy combined with EDX showed an even homogenous distribution of the sulfur atoms throughout the structure, and have revealed for the first time that a fraction of the adsorbed mercury is forming thiolate nanocrystals in the pores. The adsorbent is highly selective for mercury and can be regenerated and reused multiple times, maintaining its structure and functionalities and showing only a marginal loss of adsorption capacity after several runs.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000407188200040 Publication Date (down) 2017-06-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0304-3894 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.065 Times cited 12 Open Access OpenAccess
  Notes D.E. thanks the F.W.O. Flanders (Fund Scientific Research) for a postdoctoral grant (3E10813W). J.O. acknowledges also F.W.O. Flanders, research project G006813N, and the research Board of Ghent University, UGent GOA (Concerted Research Actions) (grant 01G00710) for financial support. F. J. R.-S. acknowledges funding of this research by the Spanish Ministry of Economy and Competitiveness (Project MAT2013-44463-R), Andalusian Regional Government (FQM-346 group), and Feder Funds. The Titan microscope used for this investigation was partially funded by the Hercules foundation of the Flemish government. This work was supported by the Belgian IAP-PAI network. Approved Most recent IF: 6.065
  Call Number EMAT @ emat @ c:irua:144433 Serial 4624
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Author Schnepf, M.J.; Mayer, M.; Kuttner, C.; Tebbe, M.; Wolf, D.; Dulle, M.; Altantzis, T.; Formanek, P.; Förster, S.; Bals, S.; König, T.A.F.; Fery, A.
  Title Nanorattles with tailored electric field enhancement Type A1 Journal article
  Year 2017 Publication Nanoscale Abbreviated Journal Nanoscale
  Volume 9 Issue 9 Pages 9376-9385
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Nanorattles are metallic core–shell particles with core and shell separated by a dielectric spacer. These

nanorattles have been identified as a promising class of nanoparticles, due to their extraordinary high

electric-field enhancement inside the cavity. Limiting factors are reproducibility and loss of axial symmetry

owing to the movable metal core; movement of the core results in fluctuation of the nanocavity dimensions

and commensurate variations in enhancement factor. We present a novel synthetic approach for

the robust fixation of the central gold rod within a well-defined box, which results in an axisymmetric

nanorattle. We determine the structure of the resulting axisymmetric nanorattles by advanced transmission

electron microscopy (TEM) and small-angle X-ray scattering (SAXS). Optical absorption and scattering

cross-sections obtained from UV-vis-NIR spectroscopy quantitatively agree with finite-difference

time-domain (FDTD) simulations based on the structural model derived from SAXS. The predictions of

high and homogenous field enhancement are evidenced by scanning TEM electron energy loss spectroscopy

(STEM-EELS) measurement on single-particle level. Thus, comprehensive understanding of

structural and optical properties is achieved for this class of nanoparticles, paving the way for photonic

applications where a defined and robust unit cell is crucial.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000405387100015 Publication Date (down) 2017-06-22
  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 69 Open Access OpenAccess
  Notes This study was funded by the European Research Council under grant Template-assisted assembly of METAmaterials using MECHanical instabilities (METAMECH) ERC-2012-StG 306686. This work was also supported by the Deutsche Forschungsgemeinschaft (DFG) within the Cluster of Excellence ‘Center for Advancing Electronics Dresden’ (cfaed). M. T. wants to acknowledge funding by the Elite Network of Bavaria, the Bavarian Ministry of State according to the Bavarian elite promotion act (BayEFG), as well as the Alexander von Humboldt Foundation for a Feodor-Lynen Research Fellowship. S. B. acknowledges financial support from the European Research Council (Starting Grant No. COLOURATOM 335078) and T. A. acknowledges funding from the Research Foundation Flanders (FWO, Belgium) through a postdoctoral grant. We thank Ken Harris from the National Research Council Canada for valuable discussion of the manuscript. (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); saraecas; ECAS_Sara; Approved Most recent IF: 7.367
  Call Number EMAT @ emat @ c:irua:144797UA @ admin @ c:irua:144797 Serial 4631
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Author Shirazi, M.; Bogaerts, A.; Neyts, E.C.
  Title A DFT study of H-dissolution into the bulk of a crystalline Ni(111) surface: a chemical identifier for the reaction kinetics Type A1 Journal article
  Year 2017 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
  Volume 19 Issue 19 Pages 19150-19158
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract In this study, we investigated the diffusion of H-atoms to the subsurface and their further diffusion into the bulk of a Ni(111) crystal by means of density functional theory calculations in the context of thermal and plasma-assisted catalysis. The H-atoms at the surface can originate from the dissociative adsorption of H2 or CH4 molecules, determining the surface H-coverage. When a threshold H-coverage is passed, corresponding to 1.00 ML for the crystalline Ni(111) surface, the surface-bound H-atoms start to diffuse to the subsurface. A similar threshold coverage is observed for the interstitial H-coverage. Once the interstitial sites are filled up with a coverage above 1.00 ML of H, dissolution of interstitial H-atoms to the layer below the interstitial sites will be initiated. Hence, by applying a high pressure or inducing a reactive plasma and high temperature, increasing the H-flux to the surface, a large amount of hydrogen can diffuse in a crystalline metal like Ni and can be absorbed. The formation of metal hydride may modify the entire reaction kinetics of the system. Equivalently, the H-atoms in the bulk can easily go back to the surface and release a large amount of heat. In a plasma process, H-atoms are formed in the plasma, and therefore the energy barrier for dissociative adsorption is dismissed, thus allowing achievement of the threshold coverage without applying a high pressure as in a thermal process. As a result, depending on the crystal plane and type of metal, a large number of H-atoms can be dissolved (absorbed) in the metal catalyst, explaining the high efficiency of plasma-assisted catalytic reactions. Here, the mechanism of H-dissolution is established as a chemical identifier for the investigation of the reaction kinetics of a chemical process.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000406334300034 Publication Date (down) 2017-06-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9076 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.123 Times cited 10 Open Access OpenAccess
  Notes Financial support from the Reactive Atmospheric Plasma processIng – eDucation (RAPID) network, through the EU 7th Framework Programme (grant agreement no. 606889), is gratefully acknowledged. The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government department (EWI) and the Universiteit Antwerpen. Approved Most recent IF: 4.123
  Call Number PLASMANT @ plasmant @ c:irua:144794 Serial 4633
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Author Tang, Y.; Sena, R.P.; Aydeev, M.; Battle, P.D.; Cadogan, J.M.; Hadermann, J.; Hunter, E.C.
  Title Magnetic properties of the 6H perovskite Ba3Fe2TeO9 Type A1 Journal article
  Year 2017 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume 253 Issue Pages 347-354
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A polycrystalline sample of Ba3Fe2TeO9 having the 6H perovskite structure has been prepared in a solid-state reaction and studied by a combination of electron microscopy, Mossbauer spectroscopy, magnetometry, X-ray diffraction and neutron diffraction. Partial ordering of Fe3+ and Te6+ cations occurs over the six-coordinate sites; the corner-sharing octahedra are predominantly occupied by the former and the face-sharing octahedra by a 1:1 mixture of the two. On cooling through the temperature range 18 < T/K < 295 an increasing number of spins join an antiferromagnetic backbone running through the structure while the remainder show complex relaxation effects. At 3 K an antiferromagnetic phase and a spin glass coexist.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000406572600047 Publication Date (down) 2017-06-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 6 Open Access OpenAccess
  Notes ; We thank EPSRC for financial support through grant EP/M018954/1. ; Approved Most recent IF: 2.299
  Call Number UA @ lucian @ c:irua:145692 Serial 4743
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Author Vatanparast, M.; Egoavil, R.; Reenaas, T.W.; Verbeeck, J.; Holmestad, R.; Vullum, P.E.
  Title Bandgap measurement of high refractive index materials by off-axis EELS Type A1 Journal article
  Year 2017 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
  Volume 182 Issue Pages 92-98
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract In the present work Cs aberration corrected and monochromated scanning transmission electron microscopy electron energy loss spectroscopy (STEM-EELS) has been used to explore experimental setups that allow bandgaps of high refractive index materials to be determined. Semi-convergence and collection angles in the mu rad range were combined with off-axis or dark field EELS to avoid relativistic losses and guided light modes in the low loss range to contribute to the acquired EEL spectra. Off-axis EELS further supressed the zero loss peak and the tail of the zero loss peak. The bandgap of several GaAs-based materials were successfully determined by simple regression analyses of the background subtracted EEL spectra. The presented set-up does not require that the acceleration voltage is set to below the. Cerenkov limit and can be applied over the entire acceleration voltage range of modern TEMs and for a wide range of specimen thicknesses. (C) 2017 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000413436500013 Publication Date (down) 2017-06-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.843 Times cited 3 Open Access Not_Open_Access
  Notes ; The authors would like to thank Professor Shu Min Wang and Mahdad Sadeghi at the Nanofabrication Laboratory at Chalmers University, Sweden for providing the samples. The Norwegian Research Council is acknowledged for funding the HighQ-IB project under contract no. 10415201. M.V. and T.W.R. acknowledge funding from the EEA Financial Mechanism 2009-2014 under the project contract no 23SEE/30.06.2014. The research leading to these results has received funding from the European Union Seventh Framework Programme under Grant Agreement 312483 – ESTEEM2(Integrated Infrastructure Initiative-I3) through the system of transnational access. R.E. and J.V. acknowledge funding from GOA project “Solarpaint” of the University of Antwerp. ; Approved Most recent IF: 2.843
  Call Number UA @ lucian @ c:irua:146639UA @ admin @ c:irua:146639 Serial 4778
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Author Ghorbanfekr-Kalashami, H.; Vasu, K.S.; Nair, R.R.; Peeters, F.M.; Neek-Amal, M.
  Title Dependence of the shape of graphene nanobubbles on trapped substance Type A1 Journal article
  Year 2017 Publication Nature communications Abbreviated Journal Nat Commun
  Volume 8 Issue 8 Pages 15844
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract Van der Waals (vdW) interaction between two-dimensional crystals (2D) can trap substances in high pressurized (of order 1 GPa) on nanobubbles. Increasing the adhesion between the 2D crystals further enhances the pressure and can lead to a phase transition of the trapped material. We found that the shape of the nanobubble can depend critically on the properties of the trapped substance. In the absence of any residual strain in the top 2D crystal, flat nanobubbles can be formed by trapped long hydrocarbons (that is, hexadecane). For large nanobubbles with radius 130 nm, our atomic force microscopy measurements show nanobubbles filled with hydrocarbons (water) have a cylindrical symmetry (asymmetric) shape which is in good agreement with our molecular dynamics simulations. This study provides insights into the effects of the specific material and the vdW pressure on the microscopic details of graphene bubbles.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000403417500001 Publication Date (down) 2017-06-16
  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 44 Open Access
  Notes We acknowledge fruitful discussion with Irina Grigorieva and Andre K. Geim. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program, the Royal Society and the Engineering and Physical Sciences Research Council, UK (EP/K016946/1). M.N.-A. was supported by Iran National Science Foundation (INSF). Approved Most recent IF: 12.124
  Call Number CMT @ cmt @ c:irua:144189 Serial 4580
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Author Alvarez-Martin, A.; Trashin, S.; Cuykx, M.; Covaci, A.; De Wael, K.; Janssens, K.
  Title Photodegradation mechanisms and kinetics of Eosin-Y in oxic and anoxic conditions Type A1 Journal article
  Year 2017 Publication Dyes and pigments Abbreviated Journal Dyes Pigments
  Volume 145 Issue Pages 376-384
  Keywords A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre
  Abstract Lakes based on Eosin-Y are extensively used by 19th century artists. Unfortunately, the identification of these pigments in paintings is a difficult task because Eosin-Y degrades very fast under the influence of light. The characterization of the (photo)degradation products of Eosin-Y can be very useful for the identification of these pigments in historic works of art and related cultural heritage artifacts. Furthermore, knowledge on how different factors influence the discoloration process (e.g. different types of irradiation sources and presence/absence of oxygen) is a valuable tool for preventive conservation. To this aim we performed a study on the photodegradation of Eosin-Y in solution under different illumination and in both oxic and anoxic conditions. The photodegradation of Eosin-Y was monitored by UV-VIS spectrophotometry, LC-QTOFMS and electrochemistry techniques. Results indicated higher degradation rates, by a factor of 20 or higher, under illumination with wavelengths near to the main absorbance band of the red pigment. Two different degradation pathways are observed under the conditions studied. LC-QTOFMS and electrochemistry suggested that in the presence of oxygen the degradation mechanism is an oxidative process where the breakdown of the structure causes the total discoloration. Meanwhile under anoxic conditions, a debromination process takes place while the chromophore, and consequently the color of the molecule in solution, remains essentially intact.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000405972900046 Publication Date (down) 2017-06-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0143-7208 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.473 Times cited 18 Open Access
  Notes ; ; Approved Most recent IF: 3.473
  Call Number UA @ admin @ c:irua:144385 Serial 5770
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Author Van Pottelberge, R.; Zarenia, M.; Vasilopoulos, P.; Peeters, F.M.
  Title Graphene quantum dot with a Coulomb impurity : subcritical and supercritical regime Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 95 Issue 24 Pages 245410
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We study the influence of confinement on the atomic collapse due to a Coulomb impurity placed at the center of a graphene quantum dot of radius R. We apply the zigzag or infinite-mass boundary condition and consider both a point-size and a finite-size impurity. As a function of the impurity strength Za, the energy spectra are discrete. In the case of the zigzag boundary condition, the degenerate (with respect to the angular momentum m) zero-energy levels are pulled down in energy as Z alpha increases, and they remain below epsilon = – Z alpha. Our results show that the energy levels exhibit a 1/R dependence in the subcritical regime [Z alpha < |km + 1/2|, k = 1 (-1) for the K (K') valley]. In the supercritical regime (Z alpha > |km + 1/2|) we find a qualitatively very different behavior where the levels decrease as a function of R in a nonmonotonic manner. While the valley symmetry is preserved in the presence of the impurity, we find that the impurity breaks electron-hole symmetry. We further study the energy spectrum of zigzag quantum dots in gapped graphene. Our results show that as the gap increases, the lowest electron states are pushed into the gap by the impurity.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000403072400005 Publication Date (down) 2017-06-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 13 Open Access
  Notes ; We thank Massoud Ramezani-Masir and Dean Moldovan for fruitful discussions. This work was supported by the Flemish Science Foundation (FWO-Vl), the Methusalem funding of the Flemish Government, and by the Canadian NSERC Grant No. OGP0121756 (P. V.). ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:144197 Serial 4661
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Author Leus, K.; Perez, J.P.H.; Folens, K.; Meledina, M.; Van Tendeloo, G.; Du Laing, G.; Van Der Voort, P.
  Title UiO-66-(SH)2 as stable, selective and regenerable adsorbent for the removal of mercury from water under environmentally-relevant conditions Type A1 Journal article
  Year 2017 Publication Faraday discussions Abbreviated Journal Faraday Discuss
  Volume 201 Issue Pages 145-161
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The dithiol functionalized UiO-66-(SH)(2) is developed as an efficient adsorbent for the removal of mercury in aqueous media. Important parameters for the application of MOFs in real-life circumstances include: stability and recyclability of the adsorbents, selectivity for the targeted Hg species in the presence of much higher concentrations of interfering species, and ability to purify wastewater below international environmental limits within a short time. We show that UiO-66-(SH)(2) meets all these criteria.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000409366000009 Publication Date (down) 2017-06-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1359-6640 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.588 Times cited 18 Open Access Not_Open_Access
  Notes ; J. P. H. P. is grateful for the funding from the Vlaamse Interuniversitaire Raad-Universitaire Ontwikkelingssamenwerking (VLIR-UOS). K. L. acknowledges the financial support from the Ghent University BOF Postdoctoral Grant (01P06813T). ; Approved Most recent IF: 3.588
  Call Number UA @ lucian @ c:irua:145653 Serial 4757
Permanent link to this record
 

 
Author Cautaerts, N.; Delville, R.; Dietz, W.; Verwerft, M.
  Title Thermal creep properties of Ti-stabilized DIN 1.4970 (15-15Ti) austenitic stainless steel pressurized cladding tubes Type A1 Journal article
  Year 2017 Publication Journal of nuclear materials Abbreviated Journal J Nucl Mater
  Volume 493 Issue Pages 154-167
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract This paper presents a large database of thermal creep data from pressurized unirradiated DIN 1.4970 Ti-stabilized austenitic stainless steel (i.e. EN 1515CrNiMoTiB or “15-15Ti”) cladding tubes from more than 1000 bi-axial creep tests conducted during the fast reactor R&D program of the DeBeNe (Deutschland-Belgium- Netherlands) consortium between the 1960's to the late 1980's. The data comprises creep rate and time-to-rupture between 600 and 750 degrees C and a large range of stresses. The data spans tests on material from around 70 different heats and 30 different melts. Around one fourth of the data was obtained from cold worked material, the rest was obtained on cold worked + aged (800 degrees C, 2 h) material. The data are graphically presented in log-log graphs. The creep rate data is fit with a sinh correlation, the time to rupture data is fit with a modified exponential function through the Larson-Miller parameter. Local equivalent parameters to Norton's law are calculated and compared to literature values for these types of steels and related to possible creep mechanisms. Some time to rupture data above 950 degrees C is compared to literature dynamic recrystallization data. Time to rupture data between 600 and 750 degrees C is also compared to literature data from 316 steel. Time to rupture was correlated directly to creep rate with the Monkman-Grant relationship at different temperatures. (C) 2017 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000408044000018 Publication Date (down) 2017-06-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-3115 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.048 Times cited 5 Open Access OpenAccess
  Notes ; ; Approved Most recent IF: 2.048
  Call Number UA @ lucian @ c:irua:145686 Serial 4753
Permanent link to this record
 

 
Author Ramaneti, R.; Sankaran, K.J.; Korneychuk, S.; Yeh, C.J.; Degutis, G.; Leou, K.C.; Verbeeck, J.; Van Bael, M.K.; Lin, I.N.; Haenen, K.
  Title Vertically aligned diamond-graphite hybrid nanorod arrays with superior field electron emission properties Type A1 Journal article
  Year 2017 Publication APL materials Abbreviated Journal Apl Mater
  Volume 5 Issue 6 Pages 066102
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract A “patterned-seeding technique” in combination with a “nanodiamond masked reactive ion etching process” is demonstrated for fabricating vertically aligned diamond-graphite hybrid (DGH) nanorod arrays. The DGH nanorod arrays possess superior field electron emission (FEE) behavior with a low turn-on field, long lifetime stability, and large field enhancement factor. Such an enhanced FEE is attributed to the nanocomposite nature of theDGHnanorods, which contain sp(2)-graphitic phases in the boundaries of nano-sized diamond grains. The simplicity in the nanorod fabrication process renders the DGH nanorods of greater potential for the applications as cathodes in field emission displays and microplasma display devices. (C) 2017 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000404623000002 Publication Date (down) 2017-06-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2166-532x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.335 Times cited 16 Open Access
  Notes The authors would like to thank the Methusalem “NANO” network for financial support and Mr. B. Ruttens and Professor Jan D'Haen for technical and experimental assistance. K.J. Sankaran is a Postdoctoral Fellow of the Research Foundation-Flanders (FWO). Approved Most recent IF: 4.335
  Call Number UA @ admin @ c:irua:152633 Serial 5369
Permanent link to this record
 

 
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 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.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000402667600006 Publication Date (down) 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 Vladimirova, S.A.; Rumyantseva, M.N.; Filatova, D.G.; Chizhov, A.S.; Khmelevsky, N.O.; Konstantinova, E.A.; Kozlovsky, V.F.; Marchevsky, A.V.; Karakulina, O.M.; Hadermann, J.; Gaskov, A.M.
  Title Cobalt location in p -CoO x / n -SnO 2 nanocomposites: Correlation with gas sensor performances Type A1 Journal Article
  Year 2017 Publication Journal Of Alloys And Compounds Abbreviated Journal J Alloy Compd
  Volume 721 Issue Pages 249-260
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
  Abstract Nanocomposites CoOx/SnO2 based on tin oxide powders with different crystallinity have been prepared by wet chemical synthesis and characterized in detail by ICP-MS, XPS, EPR, XRD, HAADF-STEM imaging and EDX-STEM mapping. It was shown that cobalt is distributed differently between the bulk and surface of SnO2 nanocrystals, which depends on the crystallinity of the SnO2 matrix. The measurements of gas sensor properties have been carried out during exposure to CO (10 ppm), and H2S (2 ppm) in dry air. The decrease of sensor signal toward CO was attributed to high catalytic activity of Co3O4 leading to oxidation of carbon monoxide entirely on the surface of catalyst particles. The formation of a p-CoOx/n-SnO2 heterojunction results in high sensitivity of nanocomposites in H2S detection. The conductance significantly changed in the presence of H2S, which was attributed to the formation of metallic cobalt sulfide and removal of the p – n junction.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000405252400030 Publication Date (down) 2017-06-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0925-8388 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.133 Times cited Open Access Not_Open_Access
  Notes This work was supported by ERA-Net.Plus grant N 096 FONSENS. EPR experiments were performed using the facilities of the Collective Use Center at the Moscow State University. Approved Most recent IF: 3.133
  Call Number EMAT @ emat @ Serial 4711
Permanent link to this record
 

 
Author Pour, M.D.; Motiee, N.; Barati, A.A.; Taheri, F.; Azadi, H.; Gebrehiwot, K.; Lebailly, P.; Van Passel, S.; Witlox, F.
  Title Impacts of the Hara biosphere reserve on livelihood and welfare in Persian Gulf Type A1 Journal article
  Year 2017 Publication Ecological Economics Abbreviated Journal Ecol Econ
  Volume 141 Issue Pages 76-86
  Keywords A1 Journal article; Economics; Engineering Management (ENM)
  Abstract Despite the importance of biosphere reserves in Iran's livelihood and welfare, the economic significance of Hara Biosphere Reserve has never been comprehensively studied. This study examines the current importance of Hara Biosphere Reserve (HBR) in local livelihood and welfare. Using a household survey, data were collected through a questionnaire, key informant interviews and direct observations. Two hundred and forty-four households were randomly selected from 10 villages through proportional sampling. Results showed that non-environmental income was the first driver of the total income, poverty alleviation and narrowing income inequality gap. Park income was the second. The results also showed that excluding park income from total income would significantly increase headcount poverty, widen the poverty gap, and raise the Gini coefficient. Wealthier households had the greatest absolute income from the environment, including forest, fishing and fodder. However, the poorest group had smallest absolute income from these sources. Thus, the study demonstrated that wealthier households are responsible for the overharvesting of environmental resources. Interestingly, the study showed that wealthier households are more dependent on profitable environmental incomes sources while the poorest are more dependent on non-profitable ones. (C) 2017 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000410013200008 Publication Date (down) 2017-06-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0921-8009; 1873-6106 ISBN Additional Links UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
  Impact Factor 2.965 Times cited 7 Open Access
  Notes ; ; Approved Most recent IF: 2.965
  Call Number UA @ admin @ c:irua:145602 Serial 6214
Permanent link to this record
 

 
Author Ishikawa, K.; Karahashi, K.; Ichiki, T.; Chang, J.P.; George, S.M.; Kessels, W.M.M.; Lee, H.J.; Tinck, S.; Um, J.H.; Kinoshita, K.
  Title Progress and prospects in nanoscale dry processes: How can we control atomic layer reactions? Type A1 Journal article
  Year 2017 Publication Japanese journal of applied physics Abbreviated Journal Jpn J Appl Phys
  Volume 56 Issue 56 Pages 06HA02
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract In this review, we discuss the progress of emerging dry processes for nanoscale fabrication. Experts in the fields of plasma processing have contributed to addressing the increasingly challenging demands in achieving atomic-level control of material selectivity and physicochemical reactions involving ion bombardment. The discussion encompasses major challenges shared across the plasma science and technology community. Focus is placed on advances in the development of fabrication technologies for emerging materials, especially metallic and intermetallic compounds and multiferroic, and two-dimensional (2D) materials, as well as state-of-the-art techniques used in nanoscale semiconductor manufacturing with a brief summary of future challenges.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000425887900001 Publication Date (down) 2017-06-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-4922 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.384 Times cited 18 Open Access OpenAccess
  Notes The authors would like to thank Drs. Masanobu Honda, Miyako Matsui, Tomohiro Okumura, Tetsuya Tatsumi, Satoshi Hamaguchi, Hiroto Ohtake, Yoshinobu Ohya, Kazunori Shinoda, Masaru Izawa, Hisataka Hayashi, Toshio Hayashi, Makoto Sekine, and Masaru Hori, and all members of the Program and Publication Committee of the 38th International Symposium on Dry Process 2016 held in Sapporo, Japan, as well as Nicholas Altieri and Jeffrey Chang at UCLA for proofreading and providing feedback on the manuscript. Approved Most recent IF: 1.384
  Call Number PLASMANT @ plasmant @ c:irua:143872 Serial 4576
Permanent link to this record
 

 
Author Vermeulen, M.; Sanyova, J.; Janssens, K.; Nuyts, G.; De Meyer, S.; De Wael, K.
  Title The darkening of copper- or lead-based pigments explained by a structural modification of natural orpiment : a spectroscopic and electrochemical study Type A1 Journal article
  Year 2017 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom
  Volume 32 Issue 7 Pages 1331-1341
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract A combined Raman and electrochemical study of natural orpiment (As2S3), an arsenic sulfide pigment, was used to assess the quick formation of oxidized species such as arsenic oxide (As2O3) upon exposing the pigment to 405 nm or 532 nm monochromatic light while simultaneously recording the Raman spectra of the exposed sample. During this process, a distortion of the main band at 355 cm−1, associated with the stretching of the AsS3/2 pyramids of natural orpiment, was observed as well as an increased intensity of the 359 cm−1 band, corresponding to covalent AsAs bonds in natural orpiment. The distortion was accompanied by an overall decrease of the global Raman signal for natural orpiment, which could be explained by a loss in the crystal structure. The same phenomena were recorded in reference natural orpiment model paint samples stored for a long time together with verdigris (Cu(OH)2·(CH3COO)2·5H2O) and minium (Pb3O4) paints, the latter two appearing darkened on their sides closest to the orpiment sample as well as in several historical samples containing natural orpiment mixed with various blue pigments. By SEM-EDX and XRPD analysis, respectively on loose material and cast thin-sections of model paint samples, the darkening was identified as dark sulfide species such as chalcocite (Cu2S) and galena (PbS), suggesting the release of volatile sulfide or related species by the natural orpiment paint. XANES analyses of paint samples presenting AsAs bond increase indicated the presence of sulfur species most likely identified as organosulfur compounds formed upon the AsAs bond formation and explained the darkening of the Cu- and Pb-based pigments. To the best of our knowledge, this article reports for the first time the light-induced formation of AsAs bonds in natural orpiment used as an artists' pigment and objectively demonstrates the incompatibility between orpiment and (arsenic) sulfide-sensitive pigments.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000404998500007 Publication Date (down) 2017-05-31
  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 10 Open Access
  Notes ; This research is made possible with the support of the Belgian Science Policy Office (BELSPO, Brussels) 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). We gratefully acknowledge Julie Arslanoglu (Conservation and Scientific Research Department at the Metropolitan Museum of Art, New York, USA) for providing us the orpiment, verdigris and minium mock-up samples. We gratefully acknowledge the Paul Scherrer Institut, Villigen, Switzerland and the German Electron Synchrotron (DESY) for provision of synchrotron radiation beamtimes at respectively beamlines of the SLS and Petra III. ; Approved Most recent IF: 3.379
  Call Number UA @ admin @ c:irua:144384 Serial 5564
Permanent link to this record
 

 
Author Spiller, M.
  Title Measuring adaptive capacity of urban wastewater infrastructure : change impact and change propagation Type A1 Journal article
  Year 2017 Publication The science of the total environment Abbreviated Journal
  Volume 601-602 Issue Pages 571-579
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract The ability of urban wastewater systems to adapt and transform as a response to change is an integral part of sustainable development. This requires technology and infrastructure that can be adapted to new operational challenges. In this study the adaptive capacity of urban wastewater systems is evaluated by assessing the interdependencies between system components. In interdependent and therefore tightly coupled systems, changes to one systems component will require alteration elsewhere in the system, therefore impairing the capacity of these systems to be changed. The aim of this paper is to develop a methodology to evaluate the adaptive capacity of urban wastewater systems by assessing how change drivers and innovation affect existing wastewater technology and infrastructure. The methodology comprises 7 steps and applies a change impact table and a design structure matrix that are completed by experts during workshops. Change impact tables quantify where change drivers, such as energy neutrality and resource recovery, require innovation in a system. The design structure matrix is a tool to quantify emerging changes that are a result of the innovation. The method is applied for the change driver of energy neutrality and shown for two innovations: a decentralised upflow anaerobic sludge blanket reactor followed by an anammox process and a conventional activated sludge treatment with enhanced chemical precipitation and high temperature-high pressure hydrolysis. The results show that the energy neutrality of wastewater systems can be address by either innovation in the decentralised or centralised treatment. The quantification of the emerging changes for both innovations indicates that the decentralised treatment is more disruptive, or in other words, the system needs to undergo more adaptation. It is concluded that the change impact and change propagation method can be used to characterise and quantify the technological or infrastructural transformations. In addition, it provides insight into the stakeholders affected by change.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000406294900057 Publication Date (down) 2017-05-31
  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:143926 Serial 8212
Permanent link to this record
 

 
Author Bliokh, K.Y.; Ivanov, I.P.; Guzzinati, G.; Clark, L.; Van Boxem, R.; Béché, A.; Juchtmans, R.; Alonso, M.A.; Schattschneider, P.; Nori, F.; Verbeeck, J.
  Title Theory and applications of free-electron vortex states Type A1 Journal article
  Year 2017 Publication Physics reports Abbreviated Journal Phys Rep
  Volume 690 Issue 690 Pages 1-70
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Both classical and quantum waves can form vortices: with helical phase fronts and azimuthal current densities. These features determine the intrinsic orbital angular momentum carried by localized vortex states. In the past 25 years, optical vortex beams have become an inherent part of modern optics, with many remarkable achievements and applications. In the past decade, it has been realized and demonstrated that such vortex beams or wavepackets can also appear in free electron waves, in particular, in electron microscopy. Interest in free-electron vortex states quickly spread over different areas of physics: from basic aspects of quantum mechanics, via applications for fine probing of matter (including individual atoms), to high-energy particle collision and radiation processes. Here we provide a comprehensive review of theoretical and experimental studies in this emerging field of research. We describe the main properties of electron vortex states, experimental achievements and possible applications within transmission electron microscopy, as well as the possible role of vortex electrons in relativistic and high-energy processes. We aim to provide a balanced description including a pedagogical introduction, solid theoretical basis, and a wide range of practical details. Special attention is paid to translate theoretical insights into suggestions for future experiments, in electron microscopy and beyond, in any situation where free electrons occur.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000406169900001 Publication Date (down) 2017-05-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0370-1573 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 17.425 Times cited 210 Open Access OpenAccess
  Notes AFOSR, FA9550-14-1-0040 ; CREST, JPMJCR1676 ; Portuguese Fundação para a Ciência e a Tecnologia (FCT), IF/00989/2014/CP1214/CT0004 ; Austrian Science Fund, I543-N20 ; ERC, 278510 VORTEX ; We acknowledge discussions with Mark R. Dennis and Andrei Afanasev. This work was supported by the RIKEN Interdisciplinary Theoretical Science Research Group (iTHES) Project, the Multi-University Research Initiative (MURI) Center for Dynamic Magneto-Optics via the Air Force Office of Scientific Research (AFOSR) (Grant No. FA9550-14-1-0040), Grant-in-Aid for Scientific Research (A), Core Research for Evolutionary Science and Technology (CREST), the John Templeton Foundation, the Australian Research Council, the Portuguese Funda¸c˜ao para a Ciˆencia e a Tecnologia (FCT) (contract IF/00989/2014/CP1214/CT0004 under the IF2014 Program), contracts UID/FIS/00777/2013 and CERN/FIS-NUC/0010/2015 (partially funded through POCTI, COMPETE, QREN, and the European Union), Austrian Science Fund Grant No. I543-N20, the European Research Council under the 7th Framework Program (FP7) (ERC Starting Grant No. 278510 VORTEX), and FWO PhD Fellowship grants (Aspirant Fonds Wetenschappelijk OnderzoekVlaanderen). Approved Most recent IF: 17.425
  Call Number EMAT @ emat @ c:irua:143262 Serial 4574
Permanent link to this record
 

 
Author Mahr, C.; Kundu, P.; Lackmann, A.; Zanaga, D.; Thiel, K.; Schowalter, M.; Schwan, M.; Bals, S.; Wittstock, A.; Rosenauer, A.
  Title Quantitative determination of residual silver distribution in nanoporous gold and its influence on structure and catalytic performance Type A1 Journal article
  Year 2017 Publication Journal of catalysis Abbreviated Journal J Catal
  Volume 352 Issue 352 Pages 52-58
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Large efforts have been made trying to understand the origin of the high catalytic activity of dealloyed nanoporous gold as a green catalyst for the selective promotion of chemical reactions at low temperatures. Residual silver, left in the sample after dealloying of a gold-silver alloy, has been shown to have a strong influence on the activity of the catalyst. But the question of how the silver is distributed within the porous structure has not finally been answered yet. We show by quantitative energy dispersive X-ray tomography measurements that silver forms clusters that are distributed irregularly, both on the surface and inside the ligaments building up the porous structure. Furthermore, we find that the role of the residual silver is ambiguous. Whereas CO oxidation is supported by more residual silver, methanol oxidation to methyl formate is hindered. Structural characterisation reveals larger ligaments and pores for decreasing residual silver concentration.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000408299600006 Publication Date (down) 2017-05-29
  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 42 Open Access OpenAccess
  Notes This work was supported by the Deutsche Forschungsgemeinschaft (DFG) under contracts no. RO2057/12-1 (SP 6) and WI4497/1-1 (SP 2) within the research unit FOR2213 (www.nagocat. de) and the European Research Council (ERC Starting Grant No. 335078-COLOURATOMS). (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); ecas_sara Approved Most recent IF: 6.844
  Call Number EMAT @ emat @c:irua:144434UA @ admin @ c:irua:144434 Serial 4623
Permanent link to this record
 

 
Author Bogaerts, A.; Ameye, L.; Bijlholt, M.; Amuli, K.; Heynickx, D.; Devlieger, R.
  Title INTER-ACT : prevention of pregnancy complications through an e-health driven interpregnancy lifestyle intervention: study protocol of a multicentre randomised controlled trial Type A1 Journal article
  Year 2017 Publication BMC pregnancy and childbirth Abbreviated Journal Bmc Pregnancy Childb
  Volume 17 Issue Pages 154
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Centre for Research and Innovation in Care (CRIC)
  Abstract Background Excessive maternal pre-pregnancy and gestational weight gain are related to pregnancy- and birth outcomes. The interpregnancy time window offers a unique opportunity to intervene in order to acquire a healthy lifestyle before the start of a new pregnancy. Methods INTER-ACT is an e-health driven multicentre randomised controlled intervention trial targeting women at high risk of pregnancy- and birth related complications. Eligible women are recruited for the study at day 2 or 3 postpartum. At week 6 postpartum, participants are randomised into the intervention or control arm of the study. The intervention focuses on weight, diet, physical activity and mental well-being, and comprises face-to-face coaching, in which behavioural change techniques are central, and use of a mobile application, which is Bluetooth-connected to a weighing scale and activity tracker. The intervention is rolled out postpartum (4 coaching sessions between week 6 and month 6) and in a new pregnancy (3 coaching sessions, one in each trimester of pregnancy); the mobile app is used throughout the two intervention phases. Data collection includes data from the medical record of the participants (pregnancy outcomes and medical history), anthropometric data (height, weight, waist- and hip circumferences, skinfold thickness and body composition by bio-electrical impedance analysis), data from the mobile app (physical activity and weight; intervention group only) and questionnaires (socio-demographics, breastfeeding, food intake, physical activity, lifestyle, psychosocial factors and process evaluation). Medical record data are collected at inclusion and at delivery of the subsequent pregnancy. All other data are collected at week 6 and month 6 postpartum and every subsequent 6 months until a new pregnancy, and in every trimester in the new pregnancy. Primary outcome is the composite endpoint score of pregnancy-induced hypertension, gestational diabetes mellitus, caesarean section, and large-for-gestational-age infant in the subsequent pregnancy.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000402116300002 Publication Date (down) 2017-05-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1471-2393 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.263 Times cited 4 Open Access OpenAccess
  Notes Approved Most recent IF: 2.263
  Call Number UA @ lucian @ c:irua:143234 Serial 4663
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Author Voorhaar, L.; Diaz, M.M.; Leroux, F.; Rogers, S.; Abakumov, A.M.; Van Tendeloo, G.; Van Assche, G.; Van Mele, B.; Hoogenboom, R.
  Title Supramolecular thermoplastics and thermoplastic elastomer materials with self-healing ability based on oligomeric charged triblock copolymers Type A1 Journal article
  Year 2017 Publication NPG Asia materials Abbreviated Journal Npg Asia Mater
  Volume 9 Issue Pages e385
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Supramolecular polymeric materials constitute a unique class of materials held together by non-covalent interactions. These dynamic supramolecular interactions can provide unique properties such as a strong decrease in viscosity upon relatively mild heating, as well as self-healing ability. In this study we demonstrate the unique mechanical properties of phase-separated electrostatic supramolecular materials based on mixing of low molar mass, oligomeric, ABA-triblock copolyacrylates with oppositely charged outer blocks. In case of well-chosen mixtures and block lengths, the charged blocks are phase separated from the uncharged matrix in a hexagonally packed nanomorphology as observed by transmission electron microscopy. Thermal and mechanical analysis of the material shows that the charged sections have a T-g closely beyond room temperature, whereas the material shows an elastic response at temperatures far above this T-g ascribed to the electrostatic supramolecular interactions. A broad set of materials having systematic variations in triblock copolymer structures was used to provide insights in the mechanical properties and and self-healing ability in correlation with the nanomorphology of the materials.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000402065300005 Publication Date (down) 2017-05-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1884-4049; 1884-4057 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.157 Times cited 8 Open Access OpenAccess
  Notes ; This research was conducted in the framework of the SIM-SHE/NAPROM project and SIM is gratefully acknowledged for the financial support. ; Approved Most recent IF: 9.157
  Call Number UA @ lucian @ c:irua:144263 Serial 4691
Permanent link to this record
 

 
Author Pullini, D.; Sgroi, M.; Mahmoud, A.; Gauquelin, N.; Maschio, L.; Lorenzo-Ferrari, A.M.; Groenen, R.; Damen, C.; Rijnders, G.; van den Bos, K.H.W.; Van Aert, S.; Verbeeck, J.
  Title One step toward a new generation of C-MOS compatible oxide p-n junctions: Structure of the LSMO/ZnO interface elucidated by an experimental and theoretical synergic work Type A1 Journal article
  Year 2017 Publication ACS applied materials and interfaces Abbreviated Journal Acs Appl Mater Inter
  Volume 9 Issue 9 Pages 20974-20980
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Heterostructures formed by La0.7Sr0.3MnO3/ZnO (LSMO/ZnO) interfaces exhibit extremely interesting electronic properties making them promising candidates for novel oxide p–n junctions, with multifunctional features. In this work, the structure of the interface is studied through a combined experimental/theoretical approach. Heterostructures were grown epitaxially and homogeneously on 4″ silicon wafers, characterized by advanced electron microscopy imaging and spectroscopy and simulated by ab initio density functional theory calculations. The simulation results suggest that the most stable interface configuration is composed of the (001) face of LSMO, with the LaO planes exposed, in contact with the (112̅0) face of ZnO. The ab initio predictions agree well with experimental high-angle annular dark field scanning transmission electron microscopy images and confirm the validity of the suggested structural model. Electron energy loss spectroscopy confirms the atomic sharpness of the interface. From statistical parameter estimation theory, it has been found that the distances between the interfacial planes are displaced from the respective ones of the bulk material. This can be ascribed to the strain induced by the mismatch between the lattices of the two materials employed
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000404090000079 Publication Date (down) 2017-05-25
  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 4 Open Access OpenAccess
  Notes Financial support is acknowledged from the European Commission – DG research and innovation to the collaborative research project named Interfacing oxides (IFOX, Contract No. NMP3-LA-2010-246102). N.G. and J.V. acknowledge the European Union (EU) Council under the 7th Framework Program (FP7) ERC Starting Grant 278510 VORTEX for support. S.V.A. and K.H.W.B. acknowledge financial support from the Research Foundation Flanders through project fundings (G.0374.13N , G.0368.15N, and G.0369.15N) and a Ph.D. research grant to K.H.W.B. The microscope was partly funded by the Hercules Fund from the Flemish Government. The microscope used in this work was partly funded by the Hercules Fund from the Flemish Government. CINECA is acknowledged for computational facilities (Iscra project HP10CMO1UP). Approved Most recent IF: 7.504
  Call Number EMAT @ emat @ c:irua:144431UA @ admin @ c:irua:144431 Serial 4621
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Author Bartolome, E.; Cayado, P.; Solano, E.; Mocuta, C.; Ricart, S.; Mundet, B.; Coll, M.; Gazquez, J.; Meledin, A.; Van Tendeloo, G.; Valvidares, S.M.; Herrero-Martin, J.; Gargiani, P.; Pellegrin, E.; Magen, C.; Puig, T.; Obradors, X.
  Title Hybrid YBa2Cu3O7 superconducting-ferromagnetic nanocomposite thin films prepared from colloidal chemical solutions Type A1 Journal article
  Year 2017 Publication Advanced Electronic Materials Abbreviated Journal Adv Electron Mater
  Volume 3 Issue 7 Pages 1700037
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract High T-c superconductor-ferromagnetic heterostructures constitute an appealing playground to study the interplay between flux vortices and magnetic moments. Here, the capability of a solution-derived route to grow hybrid YBa2Cu3O7-ferromagnetic nanocomposite epitaxial thin films from preformed spinel ferrite (MFe2O4, M = Mn, Co) nanoparticles (NPs) is explored. The characterization, performed using a combination of structural and magnetic techniques, reveals the complexity of the resulting nanocomposites. Results show that during the YBCO growth process, most of the NPs evolve to ferromagnetic double-perovskite (DP) phases (YBaCu2-x-yFexCoyO5/YBaCoFeO5), while a residual fraction of preformed ferrite NPs may remain in the YBCO matrix. Magnetometry cycles reflect the presence of ferromagnetic structures associated to the DPs embedded in the superconducting films. In addition, a superparamagnetic signal that may be associated with a diluted system of ferromagnetic clusters around complex defects has been detected, as previously observed in standard YBCO films and nanocomposites. The hybrid nanocomposites described in this work will allow studying several fundamental issues like the nucleation of superconductivity and the mechanisms of magnetic vortex pinning in superconducting/ferromagnetic heterostructures.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000405205300010 Publication Date (down) 2017-05-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2199-160x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.193 Times cited 7 Open Access Not_Open_Access
  Notes ; The authors acknowledge financial support from Spanish Ministry of Economy and Competitiveness through the “Severo Ochoa” Programme for Centres of Excellence in R& D (SEV-2015-0496), CONSOLIDER Excellence Network (MAT2015-68994-REDC), COACHSUPENERGY project (MAT2014-51778-C21-R, cofinanced by the European Regional Development Fund), and from the Catalan Government with 2014-SGR753 and Xarmae. Some of the electron microscopy work has also been conducted in the Laboratorio de Microscopias Avanzadas (LMA) at Instituto de Nanociencia de Aragcn (INA) at the University of Zaragoza. Part of the electron microscopy work in EMAT group ( University of Antwerp) was performed within the framework of the EUROTAPES project (FP7-NMP. 2011.2.2-1 Grant No. 280432), funded by the European Union. Work at INA-LMA was supported by NanoAraCat. Research at UCM (J.S.) was supported by the ERC starting Investigator Award, Grant No. 239739 STEMOX and Juan de la Cierva Program JCI2011-09428 (MICINN-Spain). The XMCD experiments were performed at the BOREAS beamline of the ALBA Synchrotron Light Facility with the collaboration of ALBA staff. The authors would like to thank SOLEIL synchrotron for allocating beamtime and the DiffAbs beamline staff for help during the experiments. ; Approved Most recent IF: 4.193
  Call Number UA @ lucian @ c:irua:144852 Serial 4719
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Author Li, L.L.; Moldovan, D.; Vasilopoulos, P.; Peeters, F.M.
  Title Aharonov-Bohm oscillations in phosphorene quantum rings Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 95 Issue 20 Pages 205426
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The Aharonov-Bohm (AB) effect in square phosphorene quantum rings, with armchair and zigzag edges, is investigated using the tight-binding method. The energy spectra and wave functions of such rings, obtained as a function of the magnetic flux Phi threading the ring, are strongly influenced by the ringwidthW, an in-plane electric field E-p, and a side-gating potential V-g. Compared to a square dot, the ring shows an enhanced confinement due to its inner edges and an interedge coupling along the zigzag direction, both of which strongly affect the energy spectrum and the wave functions. The energy spectrum that is gapped consists of a regular part, of conduction (valence) band states, that shows the usual AB oscillations in the higher-(lower-) energy region, and of edge states, in the gap, that exhibit no AB oscillations. As the width W decreases, the AB oscillations become more distinct and regular and their period is close to Phi(0)/2, where the flux quantum Phi(0) = h/e is the period of an ideal circular ring (W -> 0). Both the electric field E-p and the side-gating potential V-g reduce the amplitude of the AB oscillations. The amplitude can be effectively tuned by E-p or V-g and exhibits an anisotropic behavior for different field directions or side-gating configurations.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000402003700010 Publication Date (down) 2017-05-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 16 Open Access
  Notes ; This work was financially supported by the Chinese Academy of Sciences, the Flemish Science Foundation (FWO-V1), and by the Canadian NSERC Grant No. OGP0121756 (P.V.). ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:144267 Serial 4638
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Author Ramakers, M.; Trenchev, G.; Heijkers, S.; Wang, W.; Bogaerts, A.
  Title Gliding Arc Plasmatron: Providing an Alternative Method for Carbon Dioxide Conversion Type A1 Journal article
  Year 2017 Publication Chemsuschem Abbreviated Journal Chemsuschem
  Volume 10 Issue 10 Pages 2642-2652
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Low-temperature plasmas are gaining a lot of interest for environmental and energy applications. A large research field in these applications is the conversion of CO2 into chemicals and fuels. Since CO2 is a very stable molecule, a key performance indicator for the research on plasma-based CO2 conversion is the energy efficiency. Until now, the energy efficiency in atmospheric plasma reactors is quite low, and therefore we employ here a novel type of plasma reactor, the gliding arc plasmatron (GAP). This paper provides a detailed experimental and computational study of the CO2 conversion, as well as the energy cost and efficiency in a GAP. A comparison with thermal conversion, other plasma types and other novel CO2 conversion technologies is made to find out whether this novel plasma reactor can provide a significant contribution to the much-needed efficient conversion of CO2. From these comparisons it becomes evident that our results are less than a factor of two away from being cost competitive and already outperform several other new technologies. Furthermore, we indicate how the performance of the GAP can still be improved by further exploiting its non-equilibrium character. Hence, it is clear that the GAP is very promising for CO2 conversion.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000403934400014 Publication Date (down) 2017-05-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1864-5631 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.226 Times cited 42 Open Access OpenAccess
  Notes Federaal Wetenschapsbeleid; Fonds Wetenschappelijk Onderzoek, G.0383.16N 11U5316N ; Horizon 2020, 657304 ; Approved Most recent IF: 7.226
  Call Number PLASMANT @ plasmant @ c:irua:144184 Serial 4616
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