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Author (up) De Schepper, E.; Van Passel, S.; Lizin, S.; Achten, W.M.J.; Van Acker, K. doi  openurl
  Title Cost-efficient emission abatement of energy and transportation technologies : mitigation costs and policy impacts for Belgium Type A1 Journal article
  Year 2014 Publication Clean Technologies And Environmental Policy Abbreviated Journal Clean Technol Envir  
  Volume 16 Issue 6 Pages 1107-1118  
  Keywords A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)  
  Abstract In the light of global warming, this paper develops a framework to compare energy and transportation technologies in terms of cost-efficient GHG emission reduction. We conduct a simultaneous assessment of economic and environmental performances through life cycle costing and life cycle assessment. To calculate the GHG mitigation cost, we create reference systems within the base scenario. Further, we extend the concept of the mitigation cost, allowing (i) comparision of technologies given a limited investment resource, and (ii) evaluation of the direct impact of policy measures by means of the subsidized mitigation cost. The framework is illustrated with a case of solar photovoltaics (PV), grid powered battery electric vehicles (BEVs), and solar powered BEVs for a Belgian small and medium sized enterprise. The study's conclusions are that the mitigation cost of solar PV is high, even though this is a mature technology. The emerging mass produced BEVs on the other hand are found to have a large potential for cost-efficient GHG mitigation as indicated by their low cost of mitigation. Finally, based on the subsidized mitigation cost, we conclude that the current financial stimuli for all three investigated technologies are excessive when compared to the CO2 market value under the EU Emission Trading Scheme.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000339874900010 Publication Date 2014-02-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1618-954x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.331 Times cited 14 Open Access  
  Notes ; ; Approved Most recent IF: 3.331; 2014 IF: 1.934  
  Call Number UA @ admin @ c:irua:127543 Serial 6175  
Permanent link to this record
 

 
Author (up) De Schutter, B.; Devulder, W.; Schrauwen, A.; van Stiphout, K.; Perkisas, T.; Bals, S.; Vantomme, A.; Detavernier, C. pdf  doi
openurl 
  Title Phase formation in intermixed NiGe thin films : influence of Ge content and low-temperature nucleation of hexagonal nickel germanides Type A1 Journal article
  Year 2014 Publication Microelectronic engineering Abbreviated Journal Microelectron Eng  
  Volume 120 Issue Pages 168-173  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract In this study, we focus on phase formation in intermixed NiGe thin films as they represent a simplified model of the small intermixed interface layer that is believed to form upon deposition of Ni on Ge and where initial phase formation happens. A combinatorial sputter deposition technique was used to co-deposit a range of intermixed NiGe thin films with Ge concentrations varying between 0 and 50 at.%Ge in a single deposition on both Ge (100) and inert SiO2 substrates. In situ X-ray diffraction and transmission electron microscopy where used to study phase formation. In almost the entire composition range under investigation, crystalline phases where found to be present in the as-deposited films. Between 36 and 48 at.%Ge, high-temperature hexagonal nickel germanides were found to occur metastabily below 300 °C, both on SiO2 and Ge (100) substrates. For Ge concentrations in the range between 36 and 42 at.%, this hexagonal germanide phase was even found to be present at room temperature in the as-deposited films. The results obtained in this work could provide more insight in the phase sequence of a pure Ni film on Ge.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000336697300028 Publication Date 2013-09-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0167-9317; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.806 Times cited 9 Open Access Not_Open_Access  
  Notes FWO project Nr. G076112N Approved Most recent IF: 1.806; 2014 IF: 1.197  
  Call Number UA @ lucian @ c:irua:116958 Serial 2584  
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Author (up) de Sena, S.H.R.; Pereira, J.M.; Peeters, F.M.; Farias, G.A. url  doi
openurl 
  Title Topological confinement in trilayer graphene Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 89 Issue 3 Pages 035420-35425  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We calculate the spectrum of states that are localized at the interface between two regions of opposite bias in trilayer graphene (TLG). These potential profiles, also known as potential kinks, have been predicted to support two different branches of localized states for the case of bilayer graphene, and show similarities to the surface states of topological insulators. On the other hand, we found that ABC stacked TLG exhibits three different unidimensional branches of states in each valley that are confined to the kink interface. They have the property E(k(y)) = -E(-k(y)) when belonging to the same valley and E-K(k(y)) = -E-K' (-k(y)). A kink-antikink potential profile opens a gap in the spectrum of these one-dimensional states.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000332220800005 Publication Date 2014-01-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 4 Open Access  
  Notes ; This work was supported by the Brazilian Council for Research (CNPq-PRONEX), the Flemish Science Foundation (FWO-Vl), and the Bilateral project between CNPq and FWO-Vl and the Brazilian program Science Without Borders (CsF). ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:115830 Serial 3676  
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Author (up) Dekov, V.M.; Vanlierde, E.; Billström, K.; Gatto Rotondo, G.; van Meel, K.; Darchuk, L.; Van Grieken, R.; et al. pdf  doi
openurl 
  Title Ferrihydrite precipitation in groundwater-fed river systems (Nete and Demer river basins, Belgium) : insights from a combined Fe-Zn-Sr-Nd-Pb-isotope study Type A1 Journal article
  Year 2014 Publication Chemical geology Abbreviated Journal  
  Volume 386 Issue Pages 1-15  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Two groundwater-fed river systems (Nete and Demer, Belgium) carry red suspended material that settles on the river bed forming red sediments. The local aquifer that feeds these river systems is a glauconite-rich sand, which provides most of the dissolved Fe to the rivers. The solid component of these systems, i.e., the red suspended material and sediments, has a simple mineralogy (predominantly ferrihydrite), but shows a complex geochemistry pointing out the different processes contributing to the river chemistry: (1) the red sediments have higher transition metal (excluding Cu) and detrital element (e.g., Si, Al, K, Rb, etc.) concentrations than the red suspended matter because of their longer residence time in the river and higher contribution of the background (aquifer) component, respectively; (2) the red suspended material and sediments have inherited their rare earth element (REE) patterns from the aquifer; (3) the origin of Sr present in the red suspended matter and red sediments is predominantly marine (i.e., Quaternary calcareous rocks), but a small amount is geogenic (i.e., from detrital rocks); (4) Pb in both solids originates mostly from anthropogenic and geogenic sources; (5) all of the anthropogenic Pb in the red suspended material and sediments is hosted by the ferrihydrite; (6) Nd budget of the red riverine samples is controlled by the geogenic source and shows little anthropogenic component; (7) the significant Fe- and Zn-isotope fractionations are in line with the previous studies. Their fractionation patterns do not correlate, suggesting that the processes controlling the isotope geochemistry of Fe and Zn are different: oxidation/reduction most likely governs the Fe-isotope fractionation, whereas adsorption/desorption or admixing of anthropogenic sources controls the isotope fractionation of Zn.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000345441000001 Publication Date 2014-08-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2541 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:118323 Serial 7962  
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Author (up) Dendooven, J.; Devloo-Casier, K.; Ide, M.; Grandfield; Kurttepeli; Ludwig, K.F.; Bals, S.; Van der Voort, P.; Detavernier, C. pdf  url
doi  openurl
  Title Atomic layer deposition-based tuning of the pore size in mesoporous thin films studied by in situ grazing incidence small angle X-ray scattering Type A1 Journal article
  Year 2014 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume 6 Issue 24 Pages 14991-14998  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Atomic layer deposition (ALD) enables the conformal coating of porous materials, making the technique suitable for pore size tuning at the atomic level, e.g., for applications in catalysis, gas separation and sensing. It is, however, not straightforward to obtain information about the conformality of ALD coatings deposited in pores with diameters in the low mesoporous regime (<10 nm). In this work, it is demonstrated that in situ synchrotron based grazing incidence small angle X-ray scattering (GISAXS) can provide valuable information on the change in density and internal surface area during ALD of TiO2 in a porous titania film with small mesopores (3-8 nm). The results are shown to be in good agreement with in situ X-ray fluorescence data representing the evolution of the amount of Ti atoms deposited in the porous film. Analysis of both datasets indicates that the minimum pore diameter that can be achieved by ALD is determined by the size of the Ti-precursor molecule.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000345458200051 Publication Date 2014-10-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364;2040-3372; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.367 Times cited 41 Open Access OpenAccess  
  Notes 239865 Cocoon; 335078 Colouratom; Fwo; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 7.367; 2014 IF: 7.394  
  Call Number UA @ lucian @ c:irua:122227 Serial 169  
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Author (up) Deng, S.; Kurttepeli, M.; Deheryan, S.; Cott, D.J.; Vereecken, P.M.; Martens, J.A.; Bals, S.; Van Tendeloo, G.; Detavernier, C. pdf  url
doi  openurl
  Title Synthesis of a 3D network of Pt nanowires by atomic layer deposition on a carbonaceous template Type A1 Journal article
  Year 2014 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume 6 Issue 12 Pages 6939-6944  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The formation of a 3D network composed of free standing and interconnected Pt nanowires is achieved by a two-step method, consisting of conformal deposition of Pt by atomic layer deposition (ALD) on a forest of carbon nanotubes and subsequent removal of the carbonaceous template. Detailed characterization of this novel 3D nanostructure was carried out by transmission electron microscopy (TEM) and electrochemical impedance spectroscopy (EIS). The characterization showed that this pure 3D nanostructure of platinum is self-supported and offers an enhancement of the electrochemically active surface area by a factor of 50.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000337143900086 Publication Date 2014-04-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364;2040-3372; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.367 Times cited 14 Open Access OpenAccess  
  Notes The authors wish to thank the Research Foundation – Flanders (FWO) for financial support. The authors acknowledge the European Research Council for funding under the European Union's Seventh Framework Programme (FP7/2007-2013)/ERCgrant agreement N°239865-COCOON, N°246791-COUNTATOMS and N°335078–COLOURATOM). The authors would also want to thank the support from UGENT-GOA-01G01513, IWT-SBO SOSLion and the Belgian government through Interuniversity Attraction Poles (IAPPAI).; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 7.367; 2014 IF: 7.394  
  Call Number UA @ lucian @ c:irua:118393 Serial 3454  
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Author (up) Deng, S.; Verbruggen, S.W.; He, Z.; Cott, D.J.; Vereecken, P.M.; Martens, J.A.; Bals, S.; Lenaerts, S.; Detavernier, C. doi  openurl
  Title Atomic layer deposition-based synthesis of photoactive TiO2 nanoparticle chains by using carbon nanotubes as sacrificial templates Type A1 Journal article
  Year 2014 Publication RSC advances Abbreviated Journal Rsc Adv  
  Volume 4 Issue 23 Pages 11648-11653  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Highly ordered and self supported anatase TiO2 nanoparticle chains were fabricated by calcining conformally TiO2 coated multi-walled carbon nanotubes (MWCNTs). During annealing, the thin tubular TiO2 coating that was deposited onto the MWCNTs by atomic layer deposition (ALD) was transformed into chains of TiO2 nanoparticles ([similar]12 nm diameter) with an ultrahigh surface area (137 cm2 per cm2 of substrate), while at the same time the carbon from the MWCNTs was removed. Photocatalytic tests on the degradation of acetaldehyde proved that these forests of TiO2 nanoparticle chains are highly photoactive under UV light because of their well crystallized anatase phase.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000332470000017 Publication Date 2014-02-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2046-2069; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.108 Times cited 45 Open Access Not_Open_Access  
  Notes ; The authors wish to thank the Research Foundation – Flanders (FWO) and UGENT-GOA-01G01513 for financial support. The authors acknowledge the European Research Council for funding under the European Union's Seventh Framework Programme (FP7/2007-2013)/ERC grant agreement no. 239865-COCOON and no. 246791-COUNTATOMS. JAM acknowledges the Flemish government for long-term structural funding (Methusalem). ; Approved Most recent IF: 3.108; 2014 IF: 3.840  
  Call Number UA @ lucian @ c:irua:117298 Serial 168  
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Author (up) Deng, S.; Verbruggen, S.W.; Lenaerts, S.; Martens, J.A.; Van den Berghe, S.; Devloo-Casier, K.; Devulder, W.; Dendoover, J.; Deduytsche, D.; Detavernier, C. doi  openurl
  Title Controllable nitrogen doping in as deposited TiO2 film and its effect on post deposition annealing Type A1 Journal article
  Year 2014 Publication Journal of vacuum science and technology: A: vacuum surfaces and films Abbreviated Journal J Vac Sci Technol A  
  Volume 32 Issue 1 Pages 01a123  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract In order to narrow the band gap of TiO2, nitrogen doping by combining thermal atomic layer deposition (TALD) of TiO2 and plasma enhanced atomic layer deposition (PEALD) of TiN has been implemented. By altering the ratio between TALD TiO2 and PEALD TiN, the as synthesized TiOxNy films showed different band gaps (from 1.91 eV to 3.14 eV). In situ x-ray diffraction characterization showed that the crystallization behavior of these films changed after nitrogen doping. After annealing in helium, nitrogen doped TiO2 films crystallized into rutile phase while for the samples annealed in air a preferential growth of the anatase TiO2 along (001) orientation was observed. Photocatalytic tests of the degradation of stearic acid were done to evaluate the effect of N doping on the photocatalytic activity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000335847600023 Publication Date 2013-12-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0734-2101 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.374 Times cited 10 Open Access  
  Notes ; The authors wish to thank the Research Foundation-Flanders (FWO) for financial support. The authors acknowledge the European Research Council for funding under the European Union's Seventh Framework Programme (FP7/2007-2013)/ERC grant agreement Nos. 239865-COCOON and 246791-COUNTATO. The authors also acknowledge the support from UGENT-GOA-01G01513 and IWT-SBO SOSLion. J.A.M. acknowledges the Flemish government for long-term structural funding (Methusalem). J.D. acknowledges the Flemisch FWO for a postdoctoral fellowship. ; Approved Most recent IF: 1.374; 2014 IF: 2.322  
  Call Number UA @ admin @ c:irua:117296 Serial 5936  
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Author (up) Dirtu, A.C.; Buczyńska, A.J.; Godoi, A.F.L.; Favoreto, R.; Bencs, L.; Potgieter-Vermaak, S.S.; Godoi, R.H.M.; Van Grieken, R.; Van Vaeck, L. pdf  doi
openurl 
  Title Methods, fluxes and sources of gas phase alkyl nitrates in the coastal air Type A1 Journal article
  Year 2014 Publication Environmental monitoring and assessment Abbreviated Journal  
  Volume 186 Issue 10 Pages 6445-6457  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre  
  Abstract The daily and seasonal atmospheric concentrations, deposition fluxes and emission sources of a few C3C9 gaseous alkyl nitrates (ANs) at the Belgian coast (De Haan) on the Southern North Sea were determined. An adapted sampler design for low- and high-volume air-sampling, optimized sample extraction and clean-up, as well as identification and quantification of ANs in air samples by means of gas chromatography mass spectrometry, are reported. The total concentrations of ANs ranged from 0.03 to 85 pptv and consisted primarily of the nitro-butane and nitro-pentane isomers. Air mass backward trajectories were calculated by the Hybrid Single-Particle Lagrangian Integrated Trajectory (HYSPLIT) model to determine the influence of main air masses on AN levels in the air. The shorter chain ANs have been the most abundant in the Atlantic/Channel/UK air masses, while longer chain ANs prevailed in continental air. The overall mean N fluxes of the ANs were slightly higher for summer than those for winter-spring, although their contributions to the total nitrogen flux were low. High correlations between AN and HNO2 levels were observed during winter/spring. During summer, the shorter chain ANs correlated well with precipitation. Source apportionment by means of principal component analysis indicated that most of the gas phase ANs could be attributed to traffic/combustion, secondary photochemical formation and biomass burning, although marine sources may also have been present and a contributing factor.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000341497800035 Publication Date 2014-06-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1420-2026; 1573-2967 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:118906 Serial 8224  
Permanent link to this record
 

 
Author (up) Duarte-Neto, P.; Stosic, B.; Stosic, T.; Lessa, R.; Milošević, M.V.; Stanley, H.E. url  doi
openurl 
  Title Multifractal properties of a closed contour : a peek beyond the shape analysis Type A1 Journal article
  Year 2014 Publication PLoS ONE Abbreviated Journal Plos One  
  Volume 9 Issue 12 Pages e115262  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract In recent decades multifractal analysis has been successfully applied to characterize the complex temporal and spatial organization of such diverse natural phenomena as heartbeat dynamics, the dendritic shape of neurons, retinal vessels, rock fractures, and intricately shaped volcanic ash particles. The characterization of multifractal properties of closed contours has remained elusive because applying traditional methods to their quasi-one-dimensional nature yields ambiguous answers. Here we show that multifractal analysis can reveal meaningful and sometimes unexpected information about natural structures with a perimeter well-defined by a closed contour. To this end, we demonstrate how to apply multifractal detrended fluctuation analysis, originally developed for the analysis of time series, to an arbitrary shape of a given study object. In particular, we show the application of the method to fish otoliths, calcareous concretions located in fish's inner ear. Frequently referred to as the fish's “black box”, they contain a wealth of information about the fish's life history and thus have recently attracted increasing attention. As an illustrative example, we show that a multifractal approach can uncover unexpected relationships between otolith contours and size and age of fish at maturity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000347239900030 Publication Date 2014-12-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-6203; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.806 Times cited 6 Open Access  
  Notes ; Funding: This work was supported by CNPq, Brazil (Projects No. 201506/2011-4, No. 303251/2010-7, and No. 306719/2012-6). MVM acknowledges support from Flemish Science Foundation (FWO-Vlaanderen) and CAPES PVE action No. BEX1392/ 11-5. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. ; Approved Most recent IF: 2.806; 2014 IF: 3.234  
  Call Number UA @ lucian @ c:irua:123770 Serial 2218  
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Author (up) Duarte-Neto, P.; Stosic, T.; Stosic, B.; Lessa, R.; Milošević, M.V. url  doi
openurl 
  Title Interplay of model ingredients affecting aggregate shape plasticity in diffusion-limited aggregation Type A1 Journal article
  Year 2014 Publication Physical review : E : statistical, nonlinear, and soft matter physics Abbreviated Journal Phys Rev E  
  Volume 90 Issue 1 Pages 012312  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We analyze the combined effect of three ingredients of an aggregation model-surface tension, particle flow and particle source-representing typical characteristics of many aggregation growth processes in nature. Through extensive numerical experiments and for different underlying lattice structures we demonstrate that the location of incoming particles and their preferential direction of flow can significantly affect the resulting general shape of the aggregate, while the surface tension controls the surface roughness. Combining all three ingredients increases the aggregate shape plasticity, yielding a wider spectrum of shapes as compared to earlier works that analyzed these ingredients separately. Our results indicate that the considered combination of effects is fundamental for modeling the polymorphic growth of a wide variety of structures in confined geometries and/or in the presence of external fields, such as rocks, crystals, corals, and biominerals.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication Woodbury (NY) Editor  
  Language Wos 000341245400009 Publication Date 2014-07-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.366 Times cited 3 Open Access  
  Notes ; This work was supported by CNPq, Brazil (Projects No. 201506/2011-4, No. 303251 /2010-7, and No. 306719/2012-6). M.V.M. acknowledges support from Flemish Science Foundation (FWO-Vlaanderen) and CAPES PVE action No. BEX1392/11-5. The crystal structure appearing in Fig. 11 was provided courtesy of L. dos Santos, UFPE, Brazil. ; Approved Most recent IF: 2.366; 2014 IF: 2.288  
  Call Number UA @ lucian @ c:irua:119267 Serial 1708  
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Author (up) Dufour, T.; Minnebo, J.; Abou Rich, S.; Neyts, E.C.; Bogaerts, A.; Reniers, F. pdf  doi
openurl 
  Title Understanding polyethylene surface functionalization by an atmospheric He/O2 plasma through combined experiments and simulations Type A1 Journal article
  Year 2014 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 47 Issue 22 Pages 224007  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract High density polyethylene surfaces were exposed to the atmospheric post-discharge of a radiofrequency plasma torch supplied in helium and oxygen. Dynamic water contact angle measurements were performed to evaluate changes in surface hydrophilicity and angle resolved x-ray photoelectron spectroscopy was carried out to identify the functional groups responsible for wettability changes and to study their subsurface depth profiles, up to 9 nm in depth. The reactions leading to the formation of CO, C = O and OC = O groups were simulated by molecular dynamics. These simulations demonstrate that impinging oxygen atoms do not react immediately upon impact but rather remain at or close to the surface before eventually reacting. The simulations also explain the release of gaseous species in the ambient environment as well as the ejection of low molecular weight oxidized materials from the surface.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000336207900008 Publication Date 2014-05-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 13 Open Access  
  Notes Approved Most recent IF: 2.588; 2014 IF: 2.721  
  Call Number UA @ lucian @ c:irua:116919 Serial 3804  
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Author (up) Egoavil, R. openurl 
  Title STEM investigation of complex oxides at the atomic scale Type Doctoral thesis
  Year 2014 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:123302 Serial 3160  
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Author (up) Egoavil, R.; Gauquelin, N.; Martinez, G.T.; Van Aert, S.; Van Tendeloo, G.; Verbeeck, J. pdf  url
doi  openurl
  Title Atomic resolution mapping of phonon excitations in STEM-EELS experiments Type A1 Journal article
  Year 2014 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 147 Issue Pages 1-7  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Atomically resolved electron energy-loss spectroscopy experiments are commonplace in modern aberration-corrected transmission electron microscopes. Energy resolution has also been increasing steadily with the continuous improvement of electron monochromators. Electronic excitations however are known to be delocalized due to the long range interaction of the charged accelerated electrons with the electrons in a sample. This has made several scientists question the value of combined high spatial and energy resolution for mapping interband transitions and possibly phonon excitation in crystals. In this paper we demonstrate experimentally that atomic resolution information is indeed available at very low energy losses around 100 meV expressed as a modulation of the broadening of the zero loss peak. Careful data analysis allows us to get a glimpse of what are likely phonon excitations with both an energy loss and gain part. These experiments confirm recent theoretical predictions on the strong localization of phonon excitations as opposed to electronic excitations and show that a combination of atomic resolution and recent developments in increased energy resolution will offer great benefit for mapping phonon modes in real space.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000343157400001 Publication Date 2014-05-29  
  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 22 Open Access  
  Notes 246102 IFOX; 278510 VORTEX; 246791 COUNTATOMS; Hercules; 312483 ESTEEM2; esteem2jra3 ECASJO; Approved Most recent IF: 2.843; 2014 IF: 2.436  
  Call Number UA @ lucian @ c:irua:118332UA @ admin @ c:irua:118332 Serial 177  
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Author (up) Engelmann, Y.; Bogaerts, A.; Neyts, E.C. url  doi
openurl 
  Title Thermodynamics at the nanoscale : phase diagrams of nickel-carbon nanoclusters and equilibrium constants for face transitions Type A1 Journal article
  Year 2014 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume 6 Issue Pages 11981-11987  
  Keywords A1 Journal article; PLASMANT  
  Abstract Using reactive molecular dynamics simulations, the melting behavior of nickelcarbon nanoclusters is examined. The phase diagrams of icosahedral and Wulff polyhedron clusters are determined using both the Lindemann index and the potential energy. Formulae are derived for calculating the equilibrium constants and the solid and liquid fractions during a phase transition, allowing more rational determination of the melting temperature with respect to the arbitrary Lindemann value. These results give more insight into the properties of nickelcarbon nanoclusters in general and can specifically be very useful for a better understanding of the synthesis of carbon nanotubes using the catalytic chemical vapor deposition method.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000343000800049 Publication Date 2014-07-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364;2040-3372; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.367 Times cited 20 Open Access  
  Notes Approved Most recent IF: 7.367; 2014 IF: 7.394  
  Call Number UA @ lucian @ c:irua:119408 Serial 3636  
Permanent link to this record
 

 
Author (up) Engelmann; Bogaerts, A.; Neyts, E.C. url  doi
openurl 
  Title Thermodynamics at the nanoscale: phase diagrams of nickel-carbon nanoclusters and equilibrium constants for phase transitions Type A1 Journal article
  Year 2014 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume 6 Issue 20 Pages 11981-11987  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Using reactive molecular dynamics simulations, the melting behavior of nickel-carbon nanoclusters is examined. The phase diagrams of icosahedral and Wulff polyhedron clusters are determined using both the Lindemann index and the potential energy. Formulae are derived for calculating the equilibrium constants and the solid and liquid fractions during a phase transition, allowing more rational determination of the melting temperature with respect to the arbitrary Lindemann value. These results give more insight into the properties of nickel-carbon nanoclusters in general and can specifically be very useful for a better understanding of the synthesis of carbon nanotubes using the catalytic chemical vapor deposition method.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000343000800049 Publication Date 2014-07-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364;2040-3372; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.367 Times cited 20 Open Access  
  Notes Approved Most recent IF: 7.367; 2014 IF: 7.394  
  Call Number UA @ lucian @ c:irua:121106 Serial 3637  
Permanent link to this record
 

 
Author (up) Erni, R.; Abakumov, A.M.; Rossell, M.D.; Batuk, D.; Tsirlin, A.A.; Nénert, G.; Van Tendeloo, G. pdf  doi
openurl 
  Title Nanoscale phase separation in perovskites revisited Type L1 Letter to the editor
  Year 2014 Publication Nature materials Abbreviated Journal Nat Mater  
  Volume 13 Issue 3 Pages 216-217  
  Keywords L1 Letter to the editor; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000331945200002 Publication Date 2014-02-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1476-1122;1476-4660; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 39.737 Times cited 5 Open Access  
  Notes Approved Most recent IF: 39.737; 2014 IF: 36.503  
  Call Number UA @ lucian @ c:irua:114579 Serial 2270  
Permanent link to this record
 

 
Author (up) Esfahani, D.N.; Covaci, L.; Peeters, F.M. url  doi
openurl 
  Title Nonlinear response to electric field in extended Hubbard models Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 90 Issue 20 Pages 205121  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The electric-field response of a one-dimensional ring of interacting fermions, where the interactions are described by the extended Hubbard model, is investigated. By using an accurate real-time propagation scheme based on the Chebyshev expansion of the evolution operator, we uncover various nonlinear regimes for a range of interaction parameters that allows modeling of metallic and insulating (either charge density wave or spin density wave insulators) rings. The metallic regime appears at the phase boundary between the two insulating phases and provides the opportunity to describe either weakly or strongly correlated metals. We find that the fidelity susceptibility of the ground state as a function of magnetic flux piercing the ring provides a very good measure of the short-time response. Even completely different interacting regimes behave in a similar manner at short time scales as long as the ground-state fidelity susceptibility is the same. Depending on the strength of the electric field we find various types of responses: persistent currents in the insulating phase, a dissipative regime, or damped Bloch-like oscillations with varying frequencies or even irregular in nature. Furthermore, we also consider the dimerization of the ring and describe the response of a correlated band insulator. In this case the distribution of the energy levels is more clustered and the Bloch-like oscillations become even more irregular.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000345423300002 Publication Date 2014-11-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 3 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (Fonds Wetenschappelijk Onderzoek – FWO) and the Methusalem program of the Flemish government. One of us (L. C.) receives support as a postdoctoral fellow of the FWO. ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:122204 Serial 2355  
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Author (up) Espinoza Torres, C.; Condó, A.M.; Haberkorn, N.; Zelaya, E.; Schryvers, D.; Guimpel, J.; Lovey, F.C. pdf  url
doi  openurl
  Title Structures in textured Cu-Al-Ni shape memory thin films grown by sputtering Type A1 Journal article
  Year 2014 Publication Materials characterization Abbreviated Journal Mater Charact  
  Volume 96 Issue Pages 256-262  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The structure and texture formation in CuAlNi thin films of different thicknesses (1 μm to 5 μm) grown by DC magnetron sputtering without any intentional heating of the substrate are reported. The as-grown films present grains with an average size of 20 nm. The films with thickness of 1 μm have a single metastable phase with a hexagonal structure and are textured with planes (0002) parallel to the plane of the films. It was observed that thicker films present phase coexistence between metastable hexagonal and body centered cubic structures with a gradual increment of the body centered cubic phase fraction. The films with thickness of 5 μm are textured with planes (0002) and View the MathML source101¯0 in the hexagonal structure, whereas in the body centered cubic structure the films are textured with {110} planes parallel to the plane of the films. This fact can be associated with self-heating of the substrate during the growth of the films and with the relative stability of the metastable phases. Free standing films annealed in a second step (1123 K for 1 h) present austenitic phase with L21 structure and sub-micrometric grains textured with {220}L21 planes parallel to the plane of the films. The martensitic transformation temperature was determined from the analysis of resistance against temperature measurements.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York Editor  
  Language Wos 000343346400032 Publication Date 2014-08-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1044-5803; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.714 Times cited 9 Open Access  
  Notes (CONICET PIP 11220090100457) and MINCYT-FWO International Exchange Project FW/09/03 is also acknowledged Approved Most recent IF: 2.714; 2014 IF: 1.845  
  Call Number UA @ lucian @ c:irua:118931 Serial 3321  
Permanent link to this record
 

 
Author (up) Filippousi, M.; Angelakeris, M.; Katsikini, M.; Paloura, E.; Efthimiopoulos, I.; Wang, Y.; Zamboulis, D.; Van Tendeloo, G. pdf  doi
openurl 
  Title Surfactant effects on the structural and magnetic properties of iron oxide nanoparticles Type A1 Journal article
  Year 2014 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 118 Issue 29 Pages 16209-16217  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Iron oxide nanoparticles were prepared using the simplest and most efficient chemical route, the coprecipitation, in the absence and the presence of three different and widely used surfactants. The purpose of this study is to investigate the possible influence of the different surfactants on the structure and therefore on the magnetic properties of the iron oxide nanoparticles. Thus, different techniques were employed in order to elucidate the composition and structure of the magnetic iron oxide nanoparticles. By combining transmission electron microscopy with X-ray powder diffraction and X-ray absorption fine structure measurements, we were able to determine and confirm the crystal structure of the constituent iron oxides. The magnetic properties were investigated by measuring the hysteresis loops where the surfactant influence on their collective magnetic behavior and subsequent AC magnetic hyperthermia response is apparent. The results indicate that the produced iron oxide nanoparticles may be considered as good candidates for biomedical applications in hyperthermia treatments because of their high heating capacity exhibited under an alternating magnetic field, which is sufficient to provoke damage to the cancer cells.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000339540700073 Publication Date 2014-07-04  
  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 47 Open Access  
  Notes European Research Council under the seventh Framework Program (FP7); ERC Grant No. 246791 – COUNTATOMS; IAP-AIP functional Supramolecular structure IUAP P7/05 Approved Most recent IF: 4.536; 2014 IF: 4.772  
  Call Number UA @ lucian @ c:irua:118129 Serial 3398  
Permanent link to this record
 

 
Author (up) Galván Moya, J.E. openurl 
  Title Structural properties of classical quasi-one-dimensional crystals and three-dimensional clusters Type Doctoral thesis
  Year 2014 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:117413 Serial 3256  
Permanent link to this record
 

 
Author (up) Galván Moya, J.E.; Lucena, D.; Ferreira, W.P.; Peeters, F.M. url  doi
openurl 
  Title Magnetic particles confined in a modulated channel : structural transitions tunable by tilting a magnetic field Type A1 Journal article
  Year 2014 Publication Physical review : E : statistical, nonlinear, and soft matter physics Abbreviated Journal Phys Rev E  
  Volume 89 Issue 3 Pages 032309-9  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The ground state of colloidal magnetic particles in a modulated channel are investigated as a function of the tilt angle of an applied magnetic field. The particles are confined by a parabolic potential in the transversal direction while in the axial direction a periodic substrate potential is present. By using Monte Carlo simulations, we construct a phase diagram for the different crystal structures as a function of the magnetic field orientation, strength of the modulated potential, and the commensurability factor of the system. Interestingly, we found first-and second-order phase transitions between different crystal structures, which can be manipulated by the orientation of the external magnetic field. A reentrant behavior is found between two-and four-chain configurations, with continuous second-order transitions. Novel configurations are found consisting of frozen solitons of defects. By changing the orientation and/or strength of the magnetic field and/or the strength and periodicity of the substrate potential, the system transits through different phases.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication Woodbury (NY) Editor  
  Language Wos 000333702800015 Publication Date 2014-03-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.366 Times cited 11 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Methusalem programme of the Flemish government, CNPq, CAPES, FUNCAP (Pronex grant), the collaborative program CNPq-FWO-Vl, and the Brazilian program Science Without Borders CsF. Computational resources were provided by HPC infrastructure of University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC). ; Approved Most recent IF: 2.366; 2014 IF: 2.288  
  Call Number UA @ lucian @ c:irua:117217 Serial 1886  
Permanent link to this record
 

 
Author (up) Galván-Moya, J.E.; Altantzis, T.; Nelissen, K.; Peeters, F.M.; Grzelczak, M.; Liz-Marán, L.M.; Bals, S.; Van Tendeloo, G. pdf  url
doi  openurl
  Title Self-organization of highly symmetric nanoassemblies : a matter of competition Type A1 Journal article
  Year 2014 Publication ACS nano Abbreviated Journal Acs Nano  
  Volume 8 Issue 4 Pages 3869-3875  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract The properties and applications of metallic nanoparticles are inseparably connected not only to their detailed morphology and composition but also to their structural configuration and mutual interactions. As a result, the assemblies often have superior properties as compared to individual nanoparticles. Although it has been reported that nanoparticles can form highly symmetric clusters, if the configuration can be predicted as a function of the synthesis parameters, more targeted and accurate synthesis will be possible. We present here a theoretical model that accurately predicts the structure and configuration of self-assembled gold nanoclusters. The validity of the model is verified using quantitative experimental data extracted from electron tomography 3D reconstructions of different assemblies. The present theoretical model is generic and can in principle be used for different types of nanoparticles, providing a very wide window of potential applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000334990600084 Publication Date 2014-03-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1936-0851;1936-086X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.942 Times cited 34 Open Access OpenAccess  
  Notes FWO; Methusalem; 246791 COUNTATOMS; 335078 COLOURATOM; 262348 ESMI; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 13.942; 2014 IF: 12.881  
  Call Number UA @ lucian @ c:irua:116955 Serial 2977  
Permanent link to this record
 

 
Author (up) Galvan-Moya, J.E.; Misko, V.R.; Peeters, F.M. url  doi
openurl 
  Title Generic ordering of structural transitions in quasi-one-dimensional Wigner crystals Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 90 Issue 9 Pages 094111  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigate the dependence of the structural phase transitions in an infinite quasi-one-dimensional system of repulsively interacting particles on the profile of the confining channel. Three different functional expressions for the confinement potential related to real experimental systems are used that can be tuned continuously from a parabolic to a hard-wall potential in order to find a thorough understanding of the ordering of the chainlike structure transitions. We resolve the long-standing issue why the most theories predicted a 1-2-4-3-4 sequence of chain configurations with increasing density, while some experiments found the 1-2-3-4 sequence.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000342127000001 Publication Date 2014-09-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 9 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-VI) and the Odysseus and Methusalem programmes of the Flemish government. Computational resources were provided by HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC). ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:119904 Serial 1326  
Permanent link to this record
 

 
Author (up) Gaouyat, L.; He, Z.; Colomer, J.-F.; Lambin, P.; Mirabella, F.; Schryvers, D.; Deparis, O. pdf  doi
openurl 
  Title Revealing the innermost nanostructure of sputtered NiCrOx solar absorber cermets Type A1 Journal article
  Year 2014 Publication Solar energy materials and solar cells Abbreviated Journal Sol Energ Mat Sol C  
  Volume 122 Issue Pages 303-308  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Conversion of solar energy into thermal energy helps reducing consumption of non-renewable energies. Cermets (ceramicmetal composites) are versatile materials suitable, amongst other applications, for solar selective absorbers. Although the presence of metallic Ni particles in the dielectric matrix is a prerequisite for efficient solar selective absorption in NiCrOx cermets, no clear evidence of such particles is reported so far. By combining comprehensive chemical and structural analyses, we reveal the presumed nanostructure which is at the origin of the remarkable optical properties of this cermet material. Using sputtered NiCrOx layers in a solar absorber multilayer stack on aluminium substrate allows us to achieve solar absorptance as high as α=96.1% while keeping thermal emissivity as low as ε=2.2%, both values being comparable to best values recorded so far. With the nanostructure of sputtered NiCrOx cermets eventually revealed, further optimization of solar absorbers can be anticipated and technological exploitation of cermet materials in other applications can be foreseen.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000331494200040 Publication Date 2013-11-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0927-0248; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.784 Times cited 12 Open Access  
  Notes Approved Most recent IF: 4.784; 2014 IF: 5.337  
  Call Number UA @ lucian @ c:irua:113086 Serial 2902  
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Author (up) García, J.H.; Uchoa, B.; Covaci, L.; Rappoport, T.G. url  doi
openurl 
  Title Adatoms and Anderson localization in graphene Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 90 Issue 8 Pages 085425  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We address the nature of the disordered state that results from the adsorption of adatoms in graphene. For adatoms that sit at the center of the honeycomb plaquette, as in the case of most transition metals, we show that the ones that form a zero-energy resonant state lead to Anderson localization in the vicinity of the Dirac point. Among those, we show that there is a symmetry class of adatoms where Anderson localization is suppressed, leading to an exotic metallic state with large and rare charge droplets, that localizes only at the Dirac point. We identify the experimental conditions for the observation of the Anderson transition for adatoms in graphene.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000341238600004 Publication Date 2014-08-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 12 Open Access  
  Notes ; We acknowledge F. Guinea, K. Mullen, A. H. Castro Neto, and E. Mucciolo for discussions. B. U. acknowledges the University of Oklahoma for financial support and NSF Grant No. DMR-1352604 for partial support. T.G.R. and J.H.G acknowledge Brazilian agencies CNPq, FAPERJ, and “INCT de nanoestruturas de carbono” for financial support. ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:119258 Serial 57  
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Author (up) García-Sánchez, C.; Philips, D.A.; Gorlé, C. pdf  doi
openurl 
  Title Quantifying inflow uncertainties for CFD simulations of the flow in downtown Oklahoma City Type A1 Journal article
  Year 2014 Publication Building and environment Abbreviated Journal Build Environ  
  Volume 78 Issue Pages 118-129  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Computational Fluid Dynamics (CFD) methods are widely used to investigate wind flow and dispersion in urban environments. Validation with field experiments that represent the full complexity of the problem should be performed to assess the predictive capabilities of the computations. In this context it will be necessary to quantify the effect of uncertainties in simulations of the full-scale problem. The present study aims at quantifying the uncertainty related to the variability in the inflow boundary conditions for Reynolds-averaged Navier-Stokes (RANS) simulations of the flow in downtown Oklahoma City to address validation with the Joint Urban 2003 field measurements. Three uncertain inflow parameters were defined: the wind speed and wind direction at a reference height, and the aerodynamic roughness in the logarithmic velocity inlet profile. An ensemble of 729 RANS simulations were performed to determine the polynomial chaos expansion coefficients that define the response surfaces for the velocity magnitude and direction at 13 field measurement stations, and the results are compared to the experimental data. For the velocity magnitude the mean experimental velocity magnitude is encompassed within the 95% confidence interval for the magnitudes predicted by the Uncertainty Quantification study in all stations. For the velocity direction this holds in 11 out of 13 locations. The study demonstrates the significant potential of applying advanced uncertainty quantification methods to address validation with field measurements and to develop a more realistic approach to the definition of inflow boundary conditions in atmospheric CFD simulations. (C) 2014 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000338619700013 Publication Date 2014-05-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0360-1323; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.053 Times cited 29 Open Access  
  Notes Approved Most recent IF: 4.053; 2014 IF: 3.341  
  Call Number UA @ lucian @ c:irua:118632 Serial 2742  
Permanent link to this record
 

 
Author (up) Geukens, I.; Vermoortele, F.; Meledina, M.; Turner, S.; Van Tendeloo, G.; De Vos, D.E. pdf  doi
openurl 
  Title Ag nanoparticles on mixed Al2O3-Ga2O3 supports as catalysts for the N-alkylation of amines with alcohols Type A1 Journal article
  Year 2014 Publication Applied catalysis : A : general Abbreviated Journal Appl Catal A-Gen  
  Volume 469 Issue Pages 373-379  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The combination of AgNO3 with NaH results in Ag nanoparticles that can selectively perform alcohol aminations under mild reaction conditions (110 °C). NaH not only serves as a reducing agent for the Ag salt, but also activates the alcohol for dehydrogenation to the corresponding ketone/aldehyde. The stability of the particles can be improved by immobilizing them onto mixed Al2O3Ga2O3 supports; the combination of Ga and Al provides materials with stronger Lewis acidic sites compared to pure alumina or gallium oxide supports. This leads to catalysts with enhanced activities, without the necessity of adding external Lewis acids. Detailed TEM characterization also reveals a close interaction between the Ag NPs and the gallium oxide phase. The obtained catalysts are recyclable and show activity for the alcohol amination using a variety of aliphatic and aromatic amines under mild conditions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000329266500045 Publication Date 2013-10-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0926-860X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.339 Times cited 24 Open Access  
  Notes Approved Most recent IF: 4.339; 2014 IF: 3.942  
  Call Number UA @ lucian @ c:irua:111095 Serial 83  
Permanent link to this record
 

 
Author (up) Ghosh, S.; Tongay, S.; Hebard, A.F.; Sahin, H.; Peeters, F.M. doi  openurl
  Title Ferromagnetism in stacked bilayers of Pd/C60 Type A1 Journal article
  Year 2014 Publication Journal of magnetism and magnetic materials Abbreviated Journal J Magn Magn Mater  
  Volume 349 Issue Pages 128-134  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We provide experimental evidence for the existence of ferromagnetism in bilayers of Pd/C-60 which is supported by theoretical calculations based on density functional theory (DFT). The observed ferromagnetism is surprising as C-60 and Pd films are both non-ferromagnetic in the non-interacting limit. Magnetization (M) versus applied field (H) data acquired at different temperatures (T) show magnetic hysteresis with typical coercive fields (H-c) on the order of 50 Oe. From the temperature-dependent magnetization M(T) we extract a Curie temperature (T-c >= 550 K) using Bloch-like power law extrapolations to high temperatures. Using DFT calculations we investigated all plausible scenarios for the interaction between the C-60 molecules and the Pd slabs, Pd single atoms and Pd clusters. DFT shows that while the C-60 molecules are nonmagnetic, Pd films have a degenerate ground state that subject to a weak perturbation, can become ferromagnetic. Calculations also show that the interaction of C-60 molecules with excess Pd atoms and with sharp edges of a Pd slab is the most likely configuration that render the system ferromagnetic Interestingly, the calculated charge transfer (0.016 e per surface Pd atom, 0.064 e per Pd for intimate contact region) between C-60 and Pd does not appear to play an important role. (C) 2013 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000326037600022 Publication Date 2013-08-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-8853; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.63 Times cited 8 Open Access  
  Notes ; We thank Prof. Amlan Biswas and Daniel Grant for Atomic Force Microscopy measurements. This work is supported by the National Science Foundation (NSF) under Contract Number 1005301 (AFH). The authors also thank S. Ciraci for fruitful discussions. All the computational resources have been provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. Sahin is also supported by a FWO Pegasus Marie Curie Long Fellowship during the study. ; Approved Most recent IF: 2.63; 2014 IF: 1.970  
  Call Number UA @ lucian @ c:irua:112214 Serial 1184  
Permanent link to this record
 

 
Author (up) Gielis, J.; Verhulst, R.; Caratelli, D.; Ricci, P.E.; Tavkhelidze, I. url  openurl
  Title On means, polynomials and special functions Type A1 Journal article
  Year 2014 Publication The teaching of mathematics Abbreviated Journal  
  Volume 17 Issue 1 Pages 1-20  
  Keywords A1 Journal article; Educational sciences; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1451-4966; 2406-1077 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:128660 Serial 8327  
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