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Author Lobato Hoyos, I.P.; van Dyck, D.
Title An accurate parameterization for scattering factors, electron densities and electrostatic potentials for neutral atoms that obey all physical constraints Type A1 Journal article
Year 2014 Publication Acta crystallographica: section A: foundations of crystallography Abbreviated Journal Acta Crystallogr A
Volume 70 Issue 6 Pages 636-649
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract An efficient procedure and computer program are outlined for fitting numerical X-ray and electron scattering factors with the correct inclusion of all physical constraints. The numerical electron scattering factors have been parameterized using five analytic non-relativistic hydrogen electron scattering factors as basis functions for 103 neutral atoms of the periodic table. The inclusion of the correct physical constraints in the electron scattering factor and its derived quantities allows the use of the new parameterization in different fields. In terms of quality of the fit, the proposed parameterization of the electron scattering factor is one order of magnitude better than the previous analytic fittings.
Address
Corporate Author Thesis
Publisher Place of Publication Copenhagen Editor
Language Wos 000344599300012 Publication Date 2014-10-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2053-2733; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.725 Times cited (down) 19 Open Access
Notes Approved Most recent IF: 5.725; 2014 IF: NA
Call Number UA @ lucian @ c:irua:122103 Serial 93
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Author Gorlé, C.; Larsson, J.; Emory, M.; Iaccarino, G.
Title The deviation from parallel shear flow as an indicator of linear eddy-viscosity model inaccuracy Type A1 Journal article
Year 2014 Publication Physics of fluids Abbreviated Journal Phys Fluids
Volume 26 Issue 5 Pages 051702
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A marker function designed to indicate in which regions of a generic flow field the results from linear eddy-viscosity turbulence models are plausibly inaccurate is introduced. The marker is defined to identify regions that deviate from parallel shear flow. For two different flow fields it is shown that these regions largely coincide with regions where the prediction of the Reynolds stress divergence is inaccurate. The marker therefore offers a guideline for interpreting results obtained from Reynolds-averaged Navier-Stokes simulations and provides a basis for the further development of turbulence model-form uncertainty quantification methods. (C) 2014 AIP Publishing LLC.
Address
Corporate Author Thesis
Publisher Place of Publication Woodbury, N.Y. Editor
Language Wos 000337103900002 Publication Date 2014-05-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1070-6631;1089-7666; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.232 Times cited (down) 19 Open Access
Notes Approved Most recent IF: 2.232; 2014 IF: 2.031
Call Number UA @ lucian @ c:irua:118385 Serial 684
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Author Yin, S.; Tian, H.; Ren, Z.; Wei, X.; Chao, C.; Pei, J.; Li, X.; Xu, G.; Shen, G.; Han, G.
Title Octahedral-shaped perovskite nanocrystals and their visible-light photocatalytic activity Type A1 Journal article
Year 2014 Publication Chemical communications Abbreviated Journal Chem Commun
Volume 50 Issue 45 Pages 6027-6030
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Octahedral-shaped perovskite PbTiO3 nanocrystals (PT OCT) with well-defined {111} facets exposed have been successfully synthesized via a facile hydrothermal method by using LiNO3 as an ion surfactant. The Li-O bond on the surface of PT OCT nanocrystals is essential to the stability of such nanocrystals and also results in a dramatic high visible-light photocatalytic activity.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000335984700022 Publication Date 2014-04-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-7345;1364-548X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.319 Times cited (down) 19 Open Access
Notes Approved Most recent IF: 6.319; 2014 IF: 6.834
Call Number UA @ lucian @ c:irua:117690 Serial 2428
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Author Hadad, C.; Ke, X.; Carraro, M.; Sartorel, A.; Bittencourt, C.; Van Tendeloo, G.; Bonchio, M.; Quintana, M.; Prato, M.
Title Positive graphene by chemical design : tuning supramolecular strategies for functional surfaces Type A1 Journal article
Year 2014 Publication Chemical communications Abbreviated Journal Chem Commun
Volume 50 Issue 7 Pages 885-887
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A diazonium based-arylation reaction was efficiently used for the covalent addition of 4-amino-N,N,N-trimethylbenzene ammonium to stable dispersions of few layer graphene (FLG) yielding an innovative FLG platform with positive charges to immobilize inorganic polyanions.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000328884500036 Publication Date 2013-11-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-7345;1364-548X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.319 Times cited (down) 19 Open Access
Notes Approved Most recent IF: 6.319; 2014 IF: 6.834
Call Number UA @ lucian @ c:irua:113733 Serial 2678
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Author Spyrou, K.; Potsi, G.; Diamanti, E.K.; Ke, X.; Serestatidou, E.; Verginadis, I.I.; Velalopoulou, A.P.; Evangelou, A.M.; Deligiannakis, Y.; Van Tendeloo, G.; Gournis, D.; Rudolf, P.;
Title Towards Novel Multifunctional Pillared Nanostructures: Effective Intercalation of Adamantylamine in Graphene Oxide and Smectite Clays Type A1 Journal article
Year 2014 Publication Advanced functional materials Abbreviated Journal Adv Funct Mater
Volume 24 Issue 37 Pages 5841-5850
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Multifunctional pillared materials are synthesized by the intercalation of cage-shaped adamantylamine (ADMA) molecules into the interlayer space of graphite oxide (GO) and aluminosilicate clays. The physicochemical and structural properties of these hybrids, determined by X-ray diffraction (XRD), Fourier transform infrared (FTIR), Raman and X-ray photoemission (XPS) spectroscopies and transmission electron microscopy (TEM) show that they can serve as tunable hydrophobic/hydrophilic and stereospecific nanotemplates. Thus, in ADMA-pillared clay hybrids, the phyllomorphous clay provides a hydrophilic nanoenvironment where the local hydrophobicity is modulated by the presence of ADMA moieties. On the other hand, in the ADMA-GO hybrid, both the aromatic rings of GO sheets and the ADMA molecules define a hydrophobic nanoenvironment where sp(3)-oxo moieties (epoxy, hydroxyl and carboxyl groups), present on GO, modulate hydrophilicity. As test applications, these pillared nanostructures are capable of selective/stereospecific trapping of small chlorophenols or can act as cytotoxic agents.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000342794500008 Publication Date 2014-07-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1616-301X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.124 Times cited (down) 19 Open Access
Notes Approved Most recent IF: 12.124; 2014 IF: 11.805
Call Number UA @ lucian @ c:irua:121085 Serial 3686
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Author Borovinskaya, O.; Aghaei, M.; Flamigni, L.; Hattendorf, B.; Tanner, M.; Bogaerts, A.; Günther, D.
Title Diffusion- and velocity-driven spatial separation of analytes from single droplets entering an ICP off-axis Type A1 Journal article
Year 2014 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom
Volume 29 Issue 2 Pages 262-271
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The reproducible temporal separation of ion signals generated from a single multi-element droplet, observed in previous studies, was investigated in detail in this work using an ICPTOFMS with high temporal resolution. It was shown that the signal peak intensities of individual elements temporally shift relative to each other only for droplets moving through the plasma off-axis. The magnitude of these shifts correlated with the vaporization temperatures of the analytes and depended on the radial position of the droplets as well as on the thermal properties and velocity profiles of the carrier gases of the ICP. The occurrence of the signal shifting was explained by a spatial separation of analytes already present in the vapor phase in the ICP from a yet unvaporized residue of the droplet. This separation is most likely driven by anisotropic diffusion of vaporized analytes towards the plasma axis and a radial velocity gradient. The proposed explanation is supported by modeling of the gas velocities inside the ICP and imaging of the atomic and ionic emissions produced from single droplets, whose patterns were sloping towards the center of the torch. The effects observed in these studies are important not only for the fundamental understanding of analyteplasma interactions but have also a direct impact on the signal intensities and stability.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000329934000006 Publication Date 2013-11-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0267-9477;1364-5544; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.379 Times cited (down) 18 Open Access
Notes Approved Most recent IF: 3.379; 2014 IF: 3.466
Call Number UA @ lucian @ c:irua:112897 Serial 697
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Author Lubk, A.; Javon, E.; Cherkashin, N.; Reboh, S.; Gatel, C.; Hytch, M.
Title Dynamic scattering theory for dark-field electron holography of 3D strain fields Type A1 Journal article
Year 2014 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 136 Issue Pages 42-49
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Dark-held electron holography maps strain in crystal lattices into reconstructed phases over large fields of view. Here we investigate the details of the lattice strain-reconstructed phase relationship by applying dynamic scattering theory both analytically and numerically. We develop efficient analytic linear projection rules for 3D strain fields, facilitating a straight-forward calculation of reconstructed phases from 3D strained materials. They are used in the following to quantify the influence of various experimental parameters like strain magnitude, specimen thickness, excitation error and surface relaxation. (C) 2013 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000327884700006 Publication Date 2013-07-29
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 (down) 18 Open Access
Notes European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure Initiative (Reference312483 – ESTEEM2); esteem2_jra4 Approved Most recent IF: 2.843; 2014 IF: 2.436
Call Number UA @ lucian @ c:irua:112836 Serial 766
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Author Zhang, S.H.; Xu, W.; Peeters, F.M.; Badalyan, S.M.
Title Electron energy and temperature relaxation in graphene on a piezoelectric substrate Type A1 Journal article
Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 89 Issue 19 Pages 195409
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study the energy and temperature relaxation of electrons in graphene on a piezoelectric substrate. Scattering from the combined potential of extrinsic piezoelectric surface acoustical (PA) phonons of the substrate and intrinsic deformation acoustical phonons of graphene is considered for a (non) degenerate gas of Dirac fermions. It is shown that in the regime of low energies or temperatures the PA phonons dominate the relaxation and change qualitatively its character. This prediction is relevant for quantum metrology and electronic applications using graphene devices and suggests an experimental setup for probing electron-phonon coupling in graphene.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000336000400008 Publication Date 2014-05-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited (down) 18 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program of the Flemish government. ; Approved Most recent IF: 3.836; 2014 IF: 3.736
Call Number UA @ lucian @ c:irua:117675 Serial 928
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Author Milovanović, S.P.; Masir, M.R.; Peeters, F.M.
Title Interplay between snake and quantum edge states in a graphene Hall bar with a pn-junction Type A1 Journal article
Year 2014 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 105 Issue 12 Pages 123507
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The magneto- and Hall resistance of a locally gated cross shaped graphene Hall bar is calculated. The edge of the top gate is placed diagonally across the center of the Hall cross. Four-probe resistance is calculated using the Landauer-Büttiker formalism, while the transmission coefficients are obtained using the non-equilibrium Green's function approach. The interplay between transport due to edge channels and snake states is investigated. When two edge channels are occupied, we predict oscillations in the Hall and the bend resistance as function of the magnetic field, which are a consequence of quantum interference between the occupied snake states.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000343004400090 Publication Date 2014-09-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951;1077-3118; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited (down) 18 Open Access
Notes This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN and the Methusalem Foundation of the Flemish government. Approved Most recent IF: 3.411; 2014 IF: 3.302
Call Number UA @ lucian @ c:irua:121119 Serial 1704
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Author Leusink, D.P.; Coneri, F.; Hoek, M.; Turner, S.; Idrissi, H.; Van Tendeloo, G.; Hilgenkamp, H.
Title Thin films of the spin ice compound Ho2Ti2O7 Type A1 Journal article
Year 2014 Publication APL materials Abbreviated Journal Apl Mater
Volume 2 Issue 3 Pages 032101-32107
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The pyrochlore compounds Ho2Ti2O7 and Dy2Ti2O7 show an exotic form of magnetism called the spin ice state, resulting from the interplay between geometrical frustration and ferromagnetic coupling. A fascinating feature of this state is the appearance of magnetic monopoles as emergent excitations above the degenerate ground state. Over the past years, strong effort has been devoted to the investigation of these monopoles and other properties of the spin ice state in bulk crystals. Here, we report the fabrication of Ho2Ti2O7 thin films using pulsed laser deposition on yttria-stabilized ZrO2 substrates. We investigated the structural properties of these films by X-ray diffraction, scanning transmission electron microscopy, and atomic force microscopy, and the magnetic properties by vibrating sample magnetometry at 2 K. The films not only show a high crystalline quality, but also exhibit the hallmarks of a spin ice: a pronounced magnetic anisotropy and an intermediate plateau in the magnetization along the [111] crystal direction.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000334220300002 Publication Date 2014-03-04
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 (down) 18 Open Access
Notes The authors acknowledge support from the Dutch FOM and NWO foundations and from the European Union under the Framework 7 program under a contract from an Integrated Infrastructure Initiative (Reference 312483 ESTEEM2). G.V.T. acknowledges the ERC Grant N246791- COUNTATOMS. S.T. gratefully acknowledges financial support from the Fund for Scientific Research Flanders (FWO). H.I. acknowledges the IAP program of the Belgian State Federal Office for Scientific, Technical and Cultural Affairs under Contract No. P7/21. The microscope used in this study was partially financed by the Hercules Foundation of the Flemish Government. The authors acknowledge fruitful interactions with A. Brinkman, M. G. Blamire, M. Egilmez, F. J. G. Roesthuis, J. N. Beukers, C. G. Molenaar, M. Veldhorst, and X. Renshaw Wang; esteem2_ta Approved Most recent IF: 4.335; 2014 IF: NA
Call Number UA @ lucian @ c:irua:115555 Serial 3641
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Author Cagno, S.; Cosyns, P.; Izmer, A.; Vanhaecke, F.; Nys, K.; Janssens, K.
Title Deeply colored and black-appearing Roman glass : a continued research Type A1 Journal article
Year 2014 Publication Journal of archaeological science Abbreviated Journal J Archaeol Sci
Volume 42 Issue Pages 128-139
Keywords A1 Journal article; Philosophy; History; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract In the context of archaeological and historical assessment of Roman black-appearing glass, the chemical and physical characterization of a large collection of samples originating from various areas of the Roman Empire has been gathered over the past years to (i) verify whether a minor segment of the overall Roman glass production can help in determining possible diachronic changes in Roman imperial glass production (1st century AD – 5th century AD) and (ii) reveal regional compositional differences. In this paper, the latest results on the chemical composition of an additional 44 black-appearing Roman glass samples are presented, together with general conclusions based upon the entire compositional dataset of over 400 analyzed black glass samples. The results show that the Roman black glass is obtained through several glass compositions with a specific chronological, geographical and typological distribution. (C) 2013 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000332133100011 Publication Date 2013-11-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0305-4403 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.602 Times cited (down) 18 Open Access
Notes ; This research was supported by the Interuniversity Attraction Poles Programme – Belgian Science Policy (IUAP VI/16) and the Hercules fund, Brussels (grant A11/ 0387). The text also presents results of GOA “XANES meets ELNES” (Research Fund University of Antwerp, Belgium), FWO (Brussels, Belgium) projects no. G.0704.08 and G.01769.09, and VUB project OZR-BOF 1247. This work was partly supported by the Research Council of Norway through its Centres of Excellence funding scheme, project number 223268/F50. ; Approved Most recent IF: 2.602; 2014 IF: 2.196
Call Number UA @ admin @ c:irua:115865 Serial 5567
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Author Anaf, W.; Trashin, S.; Schalm, O.; van Dorp, D.; Janssens, K.; De Wael, K.
Title Electrochemical photodegradation study of semiconductor pigments : influence of environmental parameters Type A1 Journal article
Year 2014 Publication Analytical chemistry Abbreviated Journal Anal Chem
Volume 86 Issue 19 Pages 9742-9748
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)
Abstract Chemical transformations in paintings often induce discolorations, disturbing the appearance of the image. For an appropriate conservation of such valuable and irreplaceable heritage objects, it is important to have a good know-how on the degradation processes of the (historical) materials: which pigments have been discolored, what are the responsible processes, and which (environmental) conditions have the highest impact on the pigment degradation and should be mitigated. Pigment degradation is already widely studied, either by analyzing historical samples or by accelerated weathering experiments on dummies. However, in historic samples several processes may have taken place, increasing the complexity of the current state, while aging experiments are time-consuming due to the often extended aging period. An alternative method is proposed for a fast monitoring of degradation processes of semiconductor pigments, using an electrochemical setup mimicking the real environment and allowing the identification of harmful environmental parameters for each pigment. Examples are given for the pigments cadmium yellow (CdS) and vermilion (α-HgS).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000343017100058 Publication Date 2014-08-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.32 Times cited (down) 18 Open Access
Notes ; ; Approved Most recent IF: 6.32; 2014 IF: 5.636
Call Number UA @ admin @ c:irua:118834 Serial 5593
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Author Van Dael, M.; Marquez, N.; Reumerman, P.; Pelkmans, L.; Kuppens, T.; Van Passel, S.
Title Development and techno-economic evaluation of a biorefinery based on biomass (waste) streams : case study in the Netherlands Type A1 Journal article
Year 2014 Publication Biofuels Bioproducts & Biorefining-Biofpr Abbreviated Journal Biofuel Bioprod Bior
Volume 8 Issue 5 Pages 635-644
Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
Abstract In this paper, the technical and economic advantages of combining conversion technologies into a multi-dimensional plant primarily using regional biomass residues are investigated. The main objective is to show how locally available biomass can be used more efficiently as a source for renewable energy and bio-based products. Therefore, not only is the theoretical perspective considered, but also a reality check for the local situation is taken into account. Although industrial attitude toward biorefineries is positive, the efficient production of a portfolio of bio-based products has not yet been implemented. A biorefinery concept for Moerdijk (the Netherlands) was developed, focusing on grass refining, production of pyrolysis oil, biodiesel production, and bio-LNG production. Grass refining is the most experimental technique of all proposed conversion techniques. In terms of development, pyrolysis oil and bio-LNG production are in the demonstration phase. Anaerobic digestion and biodiesel production are proven techniques. It is shown that this concept allows for synergies with regard to the utilization of residue flows from internal processes. Furthermore, it is demonstrated that by integrating different conversion technologies, an economically feasible concept can be developed in which technologies, currently residing in a demonstration phase, can also be brought to the market. (c) 2013 Society of Chemical Industry and John Wiley & Sons, Ltd
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000342662200015 Publication Date 2013-11-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-104x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.694 Times cited (down) 18 Open Access
Notes ; We would like to thank the editor and the anonymous referees for their helpful suggestions and insightful comments that have significantly improved the paper. The Energy Conversion Parks (ECP) project is funded by the Interreg IVa – Flanders-Netherlands program from the European Fund for Regional Development that stimulates cross-border projects. Also the Dutch Ministry of Economic Affairs, the Flemish Government, the Provinces of Noord-Brabant (NL), Zeeland (NL), Limburg (BE) and the partners (VITO, Avans University of Applied Sciences, Wageningen University and Research, Hasselt University, and Zeeland University of Applied Sciences) themselves are co-financing the project. We also would like to express our gratitude toward the organization of the 2nd Iberoamerican Congress on Biorefineries in Jaen (Spain) for giving us the opportunity to present and thereby fine-tune our work. ; Approved Most recent IF: 3.694; 2014 IF: 4.214
Call Number UA @ admin @ c:irua:127541 Serial 6180
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Author Maes, D.; Van Passel, S.
Title Advantages and limitations of exergy indicators to assess sustainability of bioenergy and biobased materials Type A1 Journal article
Year 2014 Publication Environmental Impact Assessment Review Abbreviated Journal Environ Impact Asses
Volume 45 Issue Pages 19-29
Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
Abstract Innovative bioenergy projects show a growing diversity in biomass pathways, transformation technologies and end-products, leading to complex new processes. Existing energy-based indicators are not designed to include multiple impacts and are too constrained to assess the sustainability of these processes. Alternatively, indicators based on exergy, a measure of “qualitative energy”, could allow a more holistic view. Exergy is increasingly applied in analyses of both technical and biological processes. But sustainability assessments including exergy calculations, are not very common and are not generally applicable to all types of impact. Hence it is important to frame the use of exergy for inclusion in a sustainability assessment. This paper reviews the potentials and the limitations of exergy calculations, and presents solutions for coherent aggregation with other metrics. The resulting approach is illustrated in a case study. Within the context of sustainability assessment of bioenergy, exergy is a suitable metric for the impacts that require an ecocentric interpretation, and it allows aggregation on a physical basis. The use of exergy is limited to a measurement of material and energy exchanges with the sun, biosphere and lithosphere. Exchanges involving services or human choices are to be measured in different metrics. This combination provides a more inclusive and objective sustainability assessment, especially compared to standard energy- or carbon-based indicators. Future applications of this approach in different situations are required to clarify the potential of exergy-based indicators in a sustainability context. (C) 2013 Elsevier Inc. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000331924600003 Publication Date 2013-12-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0195-9255 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.094 Times cited (down) 18 Open Access
Notes ; ; Approved Most recent IF: 3.094; 2014 IF: 2.400
Call Number UA @ admin @ c:irua:127545 Serial 6147
Permanent link to this record
 

 
Author Buffière, M.; Brammertz, G.; Batuk, M.; Verbist, C.; Mangin, D.; Koble, C.; Hadermann, J.; Meuris, M.; Poortmans, J.
Title Microstructural analysis of 9.7% efficient Cu2ZnSnSe4 thin film solar cells Type A1 Journal article
Year 2014 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 105 Issue 18 Pages 183903
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract This work presents a detailed analysis of the microstructure and the composition of our record Cu 2ZnSnSe4 (CZTSe)-CdS-ZnO solar cell with a total area efficiency of 9.7%. The average composition of the CZTSe crystallites is Cu 1.94 Zn 1.12Sn0.95Se3.99. Large crystals of ZnSe secondary phase (up to 400 nm diameter) are observed at the voids between the absorber and the back contact, while smaller ZnSe domains are segregated at the grain boundaries and close to the surface of the CZTSe grains. An underlying layer and some particles of Cu xSe are observed at the Mo-MoSe2-Cu2ZnSnSe4 interface. The free surface of the voids at the back interface is covered by an amorphous layer containing Cu, S, O, and C, while the presence of Cd, Na, and K is also observed in this region.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000345000000086 Publication Date 2014-11-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951;1077-3118; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited (down) 17 Open Access
Notes Approved Most recent IF: 3.411; 2014 IF: 3.302
Call Number UA @ lucian @ c:irua:121329 Serial 2038
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Author Moors, K.; Sorée, B.; Tokei, Z.; Magnus, W.
Title Resistivity scaling and electron relaxation times in metallic nanowires Type A1 Journal article
Year 2014 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 116 Issue 6 Pages 063714
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study the resistivity scaling in nanometer-sized metallic wires due to surface roughness and grain-boundaries, currently the main cause of electron scattering in nanoscaled interconnects. The resistivity has been obtained with the Boltzmann transport equation, adopting the relaxation time approximation of the distribution function and the effective mass approximation for the conducting electrons. The relaxation times are calculated exactly, using Fermi's golden rule, resulting in a correct relaxation time for every sub-band state contributing to the transport. In general, the relaxation time strongly depends on the sub-band state, something that remained unclear with the methods of previous work. The resistivity scaling is obtained for different roughness and grain-boundary properties, showing large differences in scaling behavior and relaxation times. Our model clearly indicates that the resistivity is dominated by grain-boundary scattering, easily surpassing the surface roughness contribution by a factor of 10. (C) 2014 AIP Publishing LLC.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000341179400036 Publication Date 2014-08-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979;1089-7550; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited (down) 17 Open Access
Notes ; ; Approved Most recent IF: 2.068; 2014 IF: 2.183
Call Number UA @ lucian @ c:irua:119260 Serial 2882
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Author N. Gauquelin, E. Benckiser, M. K. Kinyanjui, M. Wu, Y. Lu, G. Christiani, G. Logvenov, H.-U. Habermeier, U. Kaiser, B. Keimer, and G. A. Botton
Title Atomically resolved EELS mapping of the interfacial structure of epitaxially strained LaNiO3/LaAlO3 superlattices Type A1 Journal Article
Year 2014 Publication Physical Review B Abbreviated Journal
Volume 90 Issue Pages 195140
Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
Abstract The interfacial atomic structure of a metallic LaNiO3/LaAlO3 superlattice grown on a LaSrAlO4 substrate was

investigated using a combination of atomically resolved electron energy loss spectroscopy (EELS) at the Al K,

Al L2,3, Sr L2,3, Ni L2,3, La M4,5, and O K edges as well as hybridization mapping of selected features of the O

K-edge fine structure.We observe an additional La1−xSrxAl1−yNiyO3 layer at the substrate-superlattice interface,

possibly linked to diffusion of Al and Sr into the growing film or a surface reconstruction due to Sr segregation.

The roughness of the LaNiO3/LaAlO3 interfaces is found to be on average around one pseudocubic unit cell. The

O K-edge EELS spectra revealed reduced spectral weight of the prepeak derived from Ni-O hybridized states in

the LaNiO3 layers. We rule out oxygen nonstoichiometry of the LaNiO3 layers and discuss changes in the Ni-O

hybridization due to heterostructuring as possible origin.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000345467000003 Publication Date 2014-11-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links
Impact Factor Times cited (down) 17 Open Access
Notes Approved Most recent IF: NA
Call Number EMAT @ emat @ Serial 4544
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Author Van Holsbeke, C.S.; Verhulst, S.L.; Vos, W.G.; de Backer, J.W.; Vinchurkar, S.C.; Verdonck, P.R.; van Doorn, J.W.D.; Nadjmi, N.; de Backer, W.A.
Title Change in upper airway geometry between upright and supine position during tidal nasal breathing Type A1 Journal article
Year 2014 Publication Journal Of Aerosol Medicine And Pulmonary Drug Delivery Abbreviated Journal J Aerosol Med Pulm D
Volume 27 Issue 1 Pages 51-57
Keywords A1 Journal article; Biophysics and Biomedical Physics; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP); Translational Neurosciences (TNW)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000331144500007 Publication Date 2013-03-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1941-2711;1941-2703; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.528 Times cited (down) 16 Open Access
Notes ; ; Approved Most recent IF: 2.528; 2014 IF: 2.798
Call Number UA @ lucian @ c:irua:115759 Serial 308
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Author Volkova, N.E.; Lebedev, O.I.; Gavrilova, L.Y.; Turner, S.; Gauquelin, N.; Seikh, M.M.; Caignaert, V.; Cherepanov, V.A.; Raveau, B.; Van Tendeloo, G.
Title Nanoscale ordering in oxygen deficient quintuple perovskite Sm2-\epsilonBa3+\epsilonFe5O15-\delta : implication for magnetism and oxygen stoichiometry Type A1 Journal article
Year 2014 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 26 Issue 21 Pages 6303-6310
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The investigation of the system SmBaFe-O in air has allowed an oxygen deficient perovskite Sm2-epsilon Ba3+epsilon Fe5O15-delta (delta = 0.75, epsilon = 0.125) to be synthesized. In contrast to the XRPD pattern which gives a cubic symmetry (a(p) = 3.934 angstrom), the combined HREM/EELS study shows that this phase is nanoscale ordered with a quintuple tetragonal cell, a(p) X a(p) X 5(ap). The nanodomains exhibit a unique stacking sequence of the A-site cationic layers along the crystallographic c-axis, namely SmBaBa/SmBa/SmBaSm, and are chemically twinned in the three crystallographic directions. The nanoscale ordering of this perovskite explains its peculiar magnetic properties on the basis of antiferromagnetic interactions with spin blockade at the boundary between the nanodomains. The variation of electrical conductivity and oxygen content of this oxide versus temperature suggest potential SOFC applications. They may be related to the particular distribution of oxygen vacancies in the lattice and to the 3d(5)(L) under bar configuration of iron.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000344905600029 Publication Date 2014-10-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited (down) 16 Open Access
Notes The UrFU authors were financially supported by the Ministry of Education and Science of Russian Federation (project N 4.1039.2014/K) and by UrFU under the Framework Program of development of UrFU through the «Young scientists UrFU» competition. The CRISMAT authors gratefully acknowledge the EC, the CNRS and the French Minister of Education and Research for financial support through their Research, Strategic and Scholarship programs. This work was supported by funding from the European Research Council under the Seventh Framework Program (FP7), ERC grant N°246791 – COUNTATOMS. S.T. gratefully acknowledges the fund for scientific research Flanders for a post-doctoral fellowship and for financial support under contract number G004413N. N.G. acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC starting grant number 278510 – VORTEX; ECASJO_; Approved Most recent IF: 9.466; 2014 IF: 8.354
Call Number UA @ lucian @ c:irua:122137 Serial 2269
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Author Shakouri, K.; Vasilopoulos, P.; Vargiamidis, V.; Hai, G.-Q.; Peeters, F.M.
Title Spin- and valley-dependent commensurability oscillations and electric-field-induced quantum Hall plateaux in periodically modulated silicene Type A1 Journal article
Year 2014 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 104 Issue 21 Pages 213109
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study the commensurability oscillations in silicene subject to a perpendicular electric field E-z, a weak magnetic field B, and a weak periodic potential V = V-0 cos(Cy); C = 2 pi/a(0) with a(0) its period. The field E-z and/or the modulation lift the spin degeneracy of the Landau levels and lead to spin and valley resolved Weiss oscillations. The spin resolution is maximal when the field E-z is replaced by a periodic one E-z = E-0 cos(Dy); D = 2 pi/b(0), while the valley one is maximal for b(0) = a(0). In certain ranges of B values, the current is fully spin or valley polarized. Additional quantum Hall conductivity plateaux arise due to spin and valley intra-Landau-level transitions. (C) 2014 AIP Publishing LLC.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000337143000047 Publication Date 2014-05-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951;1077-3118; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited (down) 16 Open Access
Notes ; The work was supported by the Flemish Science Foundation (FWO-VI), the Methusalem Foundation of the Flemish Government, and by the Canadian NSERC Grant No. OGP0121756. Also, G. Q. H. was supported by FAPESP and CNPq (Brazil). ; Approved Most recent IF: 3.411; 2014 IF: 3.302
Call Number UA @ lucian @ c:irua:118409 Serial 3078
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Author Singh, S.K.; Costamagna, S.; Neek-Amal, M.; Peeters, F.M.
Title Melting of partially fluorinated graphene : from detachment of fluorine atoms to large defects and random coils 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 8 Pages 4460-4464
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract The melting of fluorographene is very unusual and depends strongly on the degree of fluorination. For temperatures below 1000 K, fully fluorinated graphene (FFG) is thermomechanically more stable than graphene but at T-m approximate to 2800 K FFG transits to random coils which is almost 2 times lower than the melting temperature of graphene, i.e., 5300 K. For fluorinated graphene up to 30% ripples causes detachment of individual F-atoms around 2000 K, while for 40%-60% fluorination large defects are formed beyond 1500 K and beyond 60% of fluorination F-atoms remain bonded to graphene until melting. The results agree with recent experiments on the dependence of the reversibility of the fluorination process on the percentage of fluorination.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000332188100069 Publication Date 2014-01-22
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 (down) 16 Open Access
Notes ; This work was supported by the EU-Marie Curie IIF postdoc Fellowship/299855 (for M.N.-A.), the ESF-Eurographene project CONGRAN, and the Flemish Science Foundation (FWO-VI). Financial support from the Collaborative program MINCyT (Argentina)-FWO(Belgium) is also acknowledged. ; Approved Most recent IF: 4.536; 2014 IF: 4.772
Call Number UA @ lucian @ c:irua:128874 Serial 4600
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Author Huygh, S.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C.
Title Development of a ReaxFF reactive force field for intrinsic point defects in titanium dioxide Type A1 Journal article
Year 2014 Publication Computational materials science Abbreviated Journal Comp Mater Sci
Volume 95 Issue Pages 579-591
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A reactive ReaxFF force field is developed for studying the influence of intrinsic point defects on the chemistry with TiO2 condensed phases. The force field parameters are optimized to ab initio data for the equations of state, relative phase stabilities for titanium and titanium dioxide, potential energy differences for (TiO2)n-clusters (n = 116). Also data for intrinsic point defects in anatase were added. These data contain formation energies for interstitial titanium and oxygen vacancies, diffusion barriers of the oxygen vacancies and molecular oxygen adsorption on a reduced anatase (101) surface. Employing the resulting force field, we study the influence of concentration of oxygen vacancies and expansion or compression of an anatase surface on the diffusion of the oxygen vacancies. Also the barrier for oxygen diffusion in the subsurface region is evaluated using this force field. This diffusion barrier of 27.7 kcal/mol indicates that the lateral redistribution of oxygen vacancies on the surface and in the subsurface will be dominated by their diffusion in the subsurface, since both this barrier as well as the barriers for diffusion from the surface to the subsurface and vice versa (17.07 kcal/mol and 21.91 kcal/mol, respectively, as calculated with DFT), are significantly lower than for diffusion on the surface (61.12 kcal/mol as calculated with DFT).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000343781700077 Publication Date 2014-09-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0927-0256; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.292 Times cited (down) 15 Open Access
Notes Approved Most recent IF: 2.292; 2014 IF: 2.131
Call Number UA @ lucian @ c:irua:119409 Serial 682
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Author Samal, D.; Tan, H.; Takamura, Y.; Siemons, W.; Verbeeck, J.; Van Tendeloo, G.; Arenholz, E.; Jenkins, C.A.; Rijnders, G.; Koster, G.
Title Direct structural and spectroscopic investigation of ultrathin films of tetragonal CuO: Six-fold coordinated copper Type A1 Journal article
Year 2014 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett
Volume 105 Issue 1 Pages 17003-17005
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Unlike other 3d transition metal monoxides (MnO, FeO, CoO, and NiO), CuO is found in a low-symmetry distorted monoclinic structure rather than the rocksalt structure. We report here of the growth of ultrathin CuO films on SrTiO3 substrates; scanning transmission electron microscopy was used to show the stabilization of a tetragonal rocksalt structure with an elongated c-axis such that c/a similar to 1.34 and the Cu-O-Cu bond angle similar to 180 degrees, pointing to metastable six-fold coordinated Cu. X-ray absorption spectroscopy demonstrates that the hole at the Cu site for the CuO is localized in 3d(x2-y2) orbital unlike the well-studied monoclinic CuO phase. The experimental confirmation of the tetragonal structure of CuO opens up new avenues to explore electronic and magnetic properties of six-fold coordinated Cu. Copyright (C) EPLA, 2014
Address
Corporate Author Thesis
Publisher Place of Publication Paris Editor
Language Wos 000331197100015 Publication Date 2014-01-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0295-5075;1286-4854; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.957 Times cited (down) 15 Open Access
Notes This work was carried out with financial support from the AFOSR and EOARD projects (project No.: FA8655-10-1-3077) and also supported by funding from the European Research Council under the 7th Framework Program (FP7), ERC grant No. 246791 – COUNTATOMS, ERC Starting Grant 278510 VORTEX, Grant No. NMP3-LA-2010-246102 IFOX and an Integrated Infrastructure Initiative, reference No. 312483-ESTEEM2. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. Advanced Light Source is supported by the Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy (DOE) under Contract No. DE-AC02-05CH11231. YT acknowledges support from the National Science Foundation (DMR-0747896). WS was supported by the US DOE, Basic Energy Sciences, Materials Sciences and Engineering Division. ECASJO_; Approved Most recent IF: 1.957; 2014 IF: 2.095
Call Number UA @ lucian @ c:irua:115806UA @ admin @ c:irua:115806 Serial 722
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Author Pospisilova, A.; Filippov, S.K.; Bogomolova, A.; Turner, S.; Sedlacek, O.; Matushkin, N.; Cernochova, Z.; Stepanek, P.; Hruby, M.
Title Glycogen-graft-poly(2-alkyl-2-oxazolines) – the new versatile biopolymer-based thermoresponsive macromolecular toolbox Type A1 Journal article
Year 2014 Publication RSC advances Abbreviated Journal Rsc Adv
Volume 4 Issue 106 Pages 61580-61588
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract This study is focused on thermoresponsive glycogen-graft-poly(2-alkyl-2-oxazolines), a new group of nanostructured hybrid dendrimeric stimuli-responsive polymers connecting the body's own biodegradable polysaccharidic dendrimer glycogen with the widely tuneable thermoresponsive behavior of polypeptide-analogic poly(2-alkyl-2-oxazolines), which are known to be biocompatible. Glycogen-graft-poly(2-alkyl-2-oxazolines) were prepared by a simple one-pot two-step procedure involving cationic ring-opening polymerization of 2-alkyl-2-oxazolines followed by termination of the living cationic ends with sodium glycogenate. As confirmed by light and X-ray scattering, as well as cryo-transmission electron microscopy, the grafted dendrimer structure allows easy adjustment of the cloud point temperature, the concentration dependence and nanostructure of the self-assembled phase separated polymer by crosstalk during graft composition, the graft length and the grafting density, in a very wide range.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000345656600045 Publication Date 2014-11-04
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 (down) 15 Open Access
Notes Approved Most recent IF: 3.108; 2014 IF: 3.840
Call Number UA @ lucian @ c:irua:122222 Serial 1355
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Author Bertels, E.; Bruyninckx, K.; Kurttepeli; Smet, M.; Bals, S.; Goderis, B.
Title Highly Efficient Hyperbranched CNT Surfactants: Influence of Molar Mass and Functionalization Type A1 Journal article
Year 2014 Publication Langmuir: the ACS journal of surfaces and colloids Abbreviated Journal Langmuir
Volume 30 Issue 41 Pages 12200-12209
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract End-group-functionalized hyperbranched polymers were synthesized to act as a carbon nanotube (CNT) surfactant in aqueous solutions. Variation of the percentage of triphenylmethyl (trityl) functionalization and of the molar mass of the hyperbranched polyglycerol (PG) core resulted in the highest measured surfactant efficiency for a 5000 g/mol PG with 5.6% of the available hydroxyl end-groups replaced by trityl functions, as shown by UV-vis measurements. Semiempirical model calculations suggest an even higher efficiency for PG5000 with 2.5% functionalization and maximal molecule specific efficiency in general at low degrees of functionalization. Addition of trityl groups increases the surfactant-nanotube interactions in comparison to unfunctionalized PG because of pi-pi stacking interactions. However, at higher functionalization degrees mutual interactions between trityl groups come into play, decreasing the surfactant efficiency, while lack of water solubility becomes an issue at very high functionalization degrees. Low molar mass surfactants are less efficient compared to higher molar mass species most likely because the higher bulkiness of the latter allows for a better CNT separation and stabilization. The most efficient surfactant studied allowed dispersing 2.85 mg of CNT in 20 mL with as little as 1 mg of surfactant. These dispersions, remaining stable for at least 2 months, were mainly composed of individual CNTs as revealed by electron microscopy.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000343638800013 Publication Date 2014-09-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0743-7463;1520-5827; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.833 Times cited (down) 15 Open Access OpenAccess
Notes The authors gratefully acknowledge the SIM NanoForce programme for their financial support and thank the group of Prof. Thierry Verbiest, especially Maarten Bloemen, for the use of their UV−vis equipment. Bart Goderis and Mario Smet thank KU Leuven for financial support through a GOA project. Mert Kurttepeli and Sara Bals acknowledge funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant No. 335078 COLOURATOMS.; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 3.833; 2014 IF: 4.457
Call Number UA @ lucian @ c:irua:121140 Serial 1471
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Author Tian, H.; Verbeeck, J.; Brück, S.; Paul, M.; Kufer, D.; Sing, M.; Claessen, R.; Van Tendeloo, G.
Title Interface-induced modulation of charge and polarization in thin film Fe3O4 Type A1 Journal article
Year 2014 Publication Advanced materials Abbreviated Journal Adv Mater
Volume 26 Issue 3 Pages 461-465
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Charge and polarization modulations in Fe3O4 are controlled by taking advantage of interfacial strain effects. The feasibility of oxidation state control by strain modification is demonstrated and it is shown that this approach offers a stable configuration at room temperature. Direct evidence of how a local strain field changes the atomic coordination and introduces atomic displacements leading to polarization of Fe ions is presented.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000334289300011 Publication Date 2013-10-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0935-9648; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 19.791 Times cited (down) 15 Open Access
Notes Vortex; FWO; Countatoms; Hercules ECASJO_; Approved Most recent IF: 19.791; 2014 IF: 17.493
Call Number UA @ lucian @ c:irua:112419UA @ admin @ c:irua:112419 Serial 1694
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Author Verreck, D.; Van de Put, M.; Sorée, B.; Verhulst, A.S.; Magnus, W.; Vandenberghe, W.G.; Collaert, N.; Thean, A.; Groeseneken, G.
Title Quantum mechanical solver for confined heterostructure tunnel field-effect transistors Type A1 Journal article
Year 2014 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 115 Issue 5 Pages 053706-53708
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Heterostructure tunnel field-effect transistors (HTFET) are promising candidates for low-power applications in future technology nodes, as they are predicted to offer high on-currents, combined with a sub-60 mV/dec subthreshold swing. However, the effects of important quantum mechanical phenomena like size confinement at the heterojunction are not well understood, due to the theoretical and computational difficulties in modeling realistic heterostructures. We therefore present a ballistic quantum transport formalism, combining a novel envelope function approach for semiconductor heterostructures with the multiband quantum transmitting boundary method, which we extend to 2D potentials. We demonstrate an implementation of a 2-band version of the formalism and apply it to study confinement in realistic heterostructure diodes and p-n-i-n HTFETs. For the diodes, both transmission probabilities and current densities are found to decrease with stronger confinement. For the p-n-i-n HTFETs, the improved gate control is found to counteract the deterioration due to confinement. (C) 2014 AIP Publishing LLC.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000331645900040 Publication Date 2014-02-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979;1089-7550; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited (down) 15 Open Access
Notes ; D. Verreck acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). This work was supported by imec's Industrial Affiliation Program. ; Approved Most recent IF: 2.068; 2014 IF: 2.183
Call Number UA @ lucian @ c:irua:115825 Serial 2780
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Author Bals, S.; Goris, B.; Altantzis, T.; Heidari, H.; Van Aert, S.; Van Tendeloo, G.
Title Seeing and measuring in 3D with electrons Type A1 Journal article
Year 2014 Publication Comptes rendus : physique Abbreviated Journal Cr Phys
Volume 15 Issue 2-3 Pages 140-150
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Modern TEM enables the investigation of nanostructures at the atomic scale. However, TEM images are only two-dimensional (2D) projections of a three-dimensional (3D) object. Electron tomography can overcome this limitation. The technique is increasingly focused towards quantitative measurements and reaching atomic resolution in 3D has been the ultimate goal for many years. Therefore, one needs to optimize the acquisition of the data, the 3D reconstruction techniques as well as the quantification methods. Here, we will review a broad range of methodologies and examples. Finally, we will provide an outlook and will describe future challenges in the field of electron tomography.
Address
Corporate Author Thesis
Publisher Place of Publication Paris Editor
Language Wos 000334013600005 Publication Date 2014-01-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1631-0705; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.048 Times cited (down) 15 Open Access OpenAccess
Notes (FWO;Belgium); European Research Council under the 7th Framework Program (FP7); ERC grant No.246791 – COUNTATOMS; ERC grant No.335078 – COLOURATOMS; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); Approved Most recent IF: 2.048; 2014 IF: 2.035
Call Number UA @ lucian @ c:irua:113855 Serial 2960
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Author Mooij, L.; Perkisas, T.; Palsson, G.; Schreuders, H.; Wolff, M.; Hjorvarsson, B.; Bals, S.; Dam, B.
Title The effect of microstructure on the hydrogenation of Mg/Fe thin film multilayers Type A1 Journal article
Year 2014 Publication International journal of hydrogen energy Abbreviated Journal Int J Hydrogen Energ
Volume 39 Issue 30 Pages 17092-17103
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Nanoconfined magnesium hydride can be simultaneously protected and thermodynamically destabilized when interfaced with materials such as Ti and Fe. We study the hydrogenation of thin layers of Mg (<14 nm) nanoconfined in one dimension within thin film Fe/Mg/Fe/Pd multilayers by the optical technique Hydrogenography. The hydrogenation of nanosized magnesium layers in Fe/Mg/Fe multilayers surprisingly shows the presence of multiple plateau pressures, whose nature is thickness dependent. In contrast, hydrogen desorption occurs via a single plateau which does not depend on the Mg layer thickness. From structural and morphological analyses with X-ray diffraction/reflectometry and cross-section TEM, we find that the Mg layer roughness is large when deposited on Fe and furthermore contains high-angle grain boundaries (GB's). When grown on Ti, the Mg layer roughness is low and no high-angle GB's are detected. From a Ti/Mg/Fe multilayer, in which the Mg layer is flat and has little or no GB's, we conclude that MgH2 is indeed destabilized by the interface with Fe. In this case, both the ab- and desorption plateau pressures are increased by a factor two compared to the hydrogenation of Mg within Ti/Mg/Ti multilayers. We hypothesize that the GB's in the Fe/Mg/Fe multilayer act as diffusion pathways for Pd, which is known to greatly alter the hydrogenation behavior of Mg when the two materials share an interface. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000343839000031 Publication Date 2014-09-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0360-3199; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.582 Times cited (down) 15 Open Access Not_Open_Access
Notes COST Action MP1103 Approved Most recent IF: 3.582; 2014 IF: 3.313
Call Number UA @ lucian @ c:irua:121175 Serial 3575
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Author Neek-Amal, M.; Peeters, F.M.
Title Graphene on hexagonal lattice substrate : stress and pseudo-magnetic field Type A1 Journal article
Year 2014 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 104 Issue 17 Pages 173106
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Moire patterns in the pseudo-magnetic field and in the strain profile of graphene (GE) when put on top of a hexagonal lattice substrate are predicted from elasticity theory. The van der Waals interaction between GE and the substrate induces out-of-plane deformations in graphene which results in a strain field, and consequently in a pseudo-magnetic field. When the misorientation angle is about 0.5 degrees, a three-fold symmetric strain field is realized that results in a pseudo-magnetic field very similar to the one proposed by F. Guinea, M. I. Katsnelson, and A. K. Geim [Nature Phys. 6, 30 (2010)]. Our results show that the periodicity and length of the pseudo-magnetic field can be tuned in GE by changing the misorientation angle and substrate adhesion parameters and a considerable energy gap (23 meV) can be obtained due to out-of-plane deformation of graphene which is in the range of recent experimental measurements (20-30 meV). (C) 2014 AIP Publishing LLC.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000336142500066 Publication Date 2014-05-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951;1077-3118; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited (down) 14 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. M.N.-A. was supported by the EU-Marie Curie IIF postdoc Fellowship 299855. ; Approved Most recent IF: 3.411; 2014 IF: 3.302
Call Number UA @ lucian @ c:irua:117724 Serial 1375
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