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Ovsyannikov, S.V.; Karkin, A.E.; Morozova, N.V.; Shchennikov, V.V.; Bykova, E.; Abakumov, A.M.; Tsirlin, A.A.; Glazyrin, K.V.; Dubrovinsky, L. | ||||
| Title | A hard oxide semiconductor with a direct and narrow bandgap and switchable pn electrical conduction | Type | A1 Journal article | ||
| Year | 2014 | Publication | Advanced materials | Abbreviated Journal | Adv Mater |
| Volume | 26 | Issue | 48 | Pages | 8185-8191 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | An oxide semiconductor (perovskite-type Mn2O3) is reported which has a narrow and direct bandgap of 0.45 eV and a high Vickers hardness of 15 GPa. All the known materials with similar electronic band structures (e.g., InSb, PbTe, PbSe, PbS, and InAs) play crucial roles in the semiconductor industry. The perovskite-type Mn2O3 described is much stronger than the above semiconductors and may find useful applications in different semiconductor devices, e.g., in IR detectors. | ||||
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| Publisher | Place of Publication | Weinheim | Editor | ||
| Language | Wos | 000346480800016 | Publication Date | 2014-10-27 | |
| 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 | 27 | Open Access | |
| Notes | Approved | Most recent IF: 19.791; 2014 IF: 17.493 | |||
| Call Number | UA @ lucian @ c:irua:122230 | Serial | 1408 | ||
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| Author |
Oncel, N.; Çakir, D.; Dil, J.H.; Slomski, B.; Landolt, G. | ||||
| Title | Angle-resolved synchrotron photoemission and density functional theory on the iridium modified Si(111) surface | Type | A1 Journal article | ||
| Year | 2014 | Publication | Journal of physics : condensed matter | Abbreviated Journal | J Phys-Condens Mat |
| Volume | 26 | Issue | 28 | Pages | 285501 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The physical and electronic properties of the Ir modified Si(1 1 1) surface have been investigated with the help of angle resolved photoemission spectroscopy and density functional theory. The surface consists of Ir-ring clusters that form a root 7 x root 7 -R19.1 degrees reconstruction. A comparison between the measured and calculated band structure of the system reveals that the dispersions of the projected bulk states and the states originating from '1x1' domains are heavily modified due to Umklapp scattering from the surface Brillouin zone. Density of states calculations show that Ir-ring clusters contribute to the states in the vicinity of the Fermi level. | ||||
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| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | 000338830300019 | Publication Date | 2014-06-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0953-8984;1361-648X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.649 | Times cited | 4 | Open Access | |
| Notes | ; This work was partially supported by the National Science Foundation (DMR-1306101), North Dakota EPSCoR office (NSF grant #EPS-814442), the University of North Dakota and the Swiss National Science Foundation. Computer resources used in this work partially provided by Computational Research Center (HPC-Linux cluster) at UND and TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). ; | Approved | Most recent IF: 2.649; 2014 IF: 2.346 | ||
| Call Number | UA @ lucian @ c:irua:118636 | Serial | 114 | ||
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| Author |
Odin, G.P.; Vanmeert, F.; Janssens, K.; Lelièvre, H.; Mertz, J.-D.; Rouchon, V. | ||||
| Title | Accelerated ageing of shales of palaeontological interest : impact of temperature conditions | Type | A1 Journal article | ||
| Year | 2014 | Publication | Annales de paléontologie | Abbreviated Journal | Ann Paleontol |
| Volume | 100 | Issue | 2 | Pages | 137-149 |
| Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | The palaeontological collections of the Muséum national dHistoire naturelle (MNHN, Paris, France) and the Muséum dHistoire naturelle dAutun (MHNA, Autun, France) include many fossil specimens originating from the argillaceous shales of the Autun basin (Saône-et-Loire, France). These fossils are preserved within sedimentary rocks containing unstable sulphide compounds, such as pyrite, which may deteriorate in contact with water and oxygen. This alteration provokes crystalline efflorescence and cracks, thus compromising the preservations of the fossils. This work constitutes the first step of a project that aims to understand the mechanisms of alteration of these materials in order to define conservation guidelines for palaeontological collections. For this purpose, eight damaged specimens originating from the Permian Autun basin (Saône-et-Loire, France) were selected and analyzed by X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscopy coupled to energy dispersive X-ray spectrometry (SEM/EDS) and X-ray absorption spectroscopy at the threshold of the sulphur Kα-edge (XANES). This methodology enabled the characterization of the matrices composition and the chemical nature of the alterations. Subsequently, we have sought to reproduce by artificial ageing the alteration phenomena encountered in the collections. New shale samples were collected on seven outcrops of the same Autun basin. They were analyzed and subjected to artificial ageing at 50% relative humidity (RH) and at temperatures ranging between 40 °C and 90 °C. Our work shows that damaged specimens and newly collected shale have a similar mineralogical composition. Yet the crystalline efflorescence material formed on the surface of damaged specimens belongs to the iron sulphate group whereas gypsum predominates on artificially aged shale samples. Reproducing the alterations observed on specimens by artificial ageing remains therefore problematic. Additionally, it appears that the temperature of ageing controls the nature of the damage: at 40 °C, many samples are mechanically damaged whereas no or minor crystalline efflorescence occurs. At 90 °C, it is the opposite tendency that is observed. Finally, mechanical damages do not seem to be correlated with the development of the efflorescence: samples with efflorescent crystals generally do not show clearly visible cracks; those that seem most fragmented do not show any visible efflorescence. | ||||
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| Language | Wos | 000338607500006 | Publication Date | 2014-01-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0753-3969 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.113 | Times cited | 5 | Open Access | |
| Notes | ; This work is part of a PhD that is funded by the Museum national d'Histoire naturelle, Paris, France and was additionally supported via the S2-ART project (SDD programme of BELSPO, Brussels). The research was realized in partnership with the Palaeontological Collection Management Unit, Collection Department and with the Centre de Recherche sur la Paleodiversite et les Paleoenvironnements (CR2P, CNRS, UMR7207) of the Museum national d'Histoire naturelle, Paris, France. We are grateful to our colleagues MM. Jean Dejax and Dominique Chabard who provided palaeontological specimens and gave us access to shale deposits and Mrs Marie-Madeleine Blanc-Valleron who was of great help for the interpretation of the XRD data. ; | Approved | Most recent IF: 1.113; 2014 IF: 0.970 | ||
| Call Number | UA @ admin @ c:irua:116594 | Serial | 5456 | ||
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| Author |
Niermann, T.; Verbeeck, J.; Lehmann, M. | ||||
| Title | Creating arrays of electron vortices | Type | A1 Journal article | ||
| Year | 2014 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
| Volume | 136 | Issue | Pages | 165-170 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | We demonstrate the production of an ordered array of electron vortices making use of an electron optical setup consisting of two electrostatic biprisms. The biprism filaments are oriented nearly orthogonal with respect to each other in a transmission electron microscope. Matching the position of the filaments, we can choose to form different topological features in the electron wave. We outline the working principle of the setup and demonstrate fist experimental results. This setup partially bridges the gap between angular momentum carried by electron spin, which is intrinsic and therefore present in any position of the wave, and angular momentum carried by the vortex character of the wave, which can be extrinsic depending on the axis around which it is measured. (C) 2013 Elsevier B.V. All rights reserved. | ||||
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| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000327884700021 | Publication Date | 2013-10-15 | |
| 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 | 9 | Open Access | |
| Notes | FP7; Countatoms; Vortex ECASJO_; | Approved | Most recent IF: 2.843; 2014 IF: 2.436 | ||
| Call Number | UA @ lucian @ c:irua:112837UA @ admin @ c:irua:112837 | Serial | 538 | ||
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| Author |
Neyts, E.C.; Yusupov, M.; Verlackt, C.C.; Bogaerts, A. | ||||
| Title | Computer simulations of plasmabiomolecule and plasmatissue interactions for a better insight in plasma medicine | Type | A1 Journal article | ||
| Year | 2014 | Publication | Journal of physics: D: applied physics | Abbreviated Journal | J Phys D Appl Phys |
| Volume | 47 | Issue | 29 | Pages | 293001 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Plasma medicine is a rapidly evolving multidisciplinary field at the intersection of chemistry, biochemistry, physics, biology, medicine and bioengineering. It holds great potential in medical, health care, dentistry, surgical, food treatment and other applications. This multidisciplinary nature and variety of possible applications come along with an inherent and intrinsic complexity. Advancing plasma medicine to the stage that it becomes an everyday tool in its respective fields requires a fundamental understanding of the basic processes, which is lacking so far. However, some major advances have already been made through detailed experiments over the last 15 years. Complementary, computer simulations may provide insight that is difficultif not impossibleto obtain through experiments. In this review, we aim to provide an overview of the various simulations that have been carried out in the context of plasma medicine so far, or that are relevant for plasma medicine. We focus our attention mostly on atomistic simulations dealing with plasmabiomolecule interactions. We also provide a perspective and tentative list of opportunities for future modelling studies that are likely to further advance the field. | ||||
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| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | 000338860300001 | Publication Date | 2014-06-26 | |
| 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 | 28 | Open Access | |
| Notes | Approved | Most recent IF: 2.588; 2014 IF: 2.721 | |||
| Call Number | UA @ lucian @ c:irua:117853 | Serial | 472 | ||
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| Author |
Neyts, E.C.; Bogaerts, A. | ||||
| Title | Ion irradiation for improved graphene network formation in carbon nanotube growth | Type | A1 Journal article | ||
| Year | 2014 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 77 | Issue | Pages | 790-795 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Ion irradiation of carbon nanotubes very often leads to defect formation. However, we have recently shown that Ar ion irradiation in a limited energy window of 1025 eV may enhance the initial cap nucleation process, when the carbon network is in contact with the metal nanocatalyst. Here, we employ reactive molecular dynamics simulations to demonstrate that ion irradiation in a higher energy window of 1035 eV may also heal network defects after the nucleation stage through a non-metal-mediated mechanism, when the carbon network is no longer in contact with the metal nanocatalyst. The results demonstrate the possibility of beneficially utilizing ions in e.g. plasma-enhanced chemical vapour deposition of carbon nanotubes. | ||||
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| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000340689400083 | Publication Date | 2014-06-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | 7 | Open Access | |
| Notes | Approved | Most recent IF: 6.337; 2014 IF: 6.196 | |||
| Call Number | UA @ lucian @ c:irua:118062 | Serial | 1745 | ||
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| Author |
Neyts, E.C.; Bogaerts, A. | ||||
| Title | Understanding plasma catalysis through modelling and simulation : a review | 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 | 224010 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Plasma catalysis holds great promise for environmental applications, provided that the process viability can be maximized in terms of energy efficiency and product selectivity. This requires a fundamental understanding of the various processes taking place and especially the mutual interactions between plasma and catalyst. In this review, we therefore first examine the various effects of the plasma on the catalyst and of the catalyst on the plasma that have been described in the literature. Most of these studies are purely experimental. The urgently needed fundamental understanding of the mechanisms underpinning plasma catalysis, however, may also be obtained through modelling and simulation. Therefore, we also provide here an overview of the modelling efforts that have been developed already, on both the atomistic and the macroscale, and we identify the data that can be obtained with these models to illustrate how modelling and simulation may contribute to this field. Last but not least, we also identify future modelling opportunities to obtain a more complete understanding of the various underlying plasma catalytic effects, which is needed to provide a comprehensive picture of plasma catalysis. | ||||
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| Publisher | Iop publishing ltd | Place of Publication | Bristol | Editor | |
| Language | Wos | 000336207900011 | 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 | 130 | Open Access | |
| Notes | Approved | Most recent IF: 2.588; 2014 IF: 2.721 | |||
| Call Number | UA @ lucian @ c:irua:116920 | Serial | 3803 | ||
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| Author |
Neyts, E. | ||||
| Title | Algemene chemie : van atomen tot thermodynamica | Type | MA2 Book as author | ||
| Year | 2014 | Publication | Abbreviated Journal | ||
| Volume | Issue | Pages | 317 p. | ||
| Keywords | MA2 Book as author; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
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| Publisher | Acco | Place of Publication | Leuven | Editor | |
| Language | Wos | Publication Date | |||
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| ISSN | ISBN | 978-90-334-9628-8 | Additional Links | UA library record | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ lucian @ c:irua:128094 | Serial | 4514 | ||
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| Author |
Nelen, D.; Manshoven, S.; Peeters, J.R.; Vanegas, P.; D'Haese, N.; Vrancken, K. | ||||
| Title | A multidimensional indicator set to assess the benefits of WEEE material recycling | Type | A1 Journal article | ||
| Year | 2014 | Publication | Journal of cleaner production | Abbreviated Journal | |
| Volume | 83 | Issue | Pages | 305-316 | |
| Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | EU strategies for waste management have long recognized the key role of recycling to move towards sustainable consumption and production. This resulted in a range of regulatory measures, among which the Waste Electrical and Electronic Equipment (WEEE) directive, which sets weight-based targets for recovery, preparation for re-use and recycling. The increasing strategic relevance of the supply of raw materials has, however, spurred a more integrated approach towards resource efficiency. In addition to the prevention of disposal, recycling practices are now also meant to contribute to sustainable materials management by pursuing (i) a higher degree of material cycle closure, (ii) an improved recovery of strategically relevant materials, and (iii) the avoidance of environmental burdens associated with the extraction and refining of primary raw materials. In response to this evolution, this paper reports about the development of an indicator set that allows to quantitatively demonstrate these recycling benefits, hence going further than the weight-based objectives employed in the WEEE directive. The indicators can be calculated for WEEE recycling processes for which information is available on both input and output fractions. It offers a comprehensive framework that aims to support decision making processes on product design, to identify opportunities for the optimization of WEEE End-of-Life scenarios, and to assess the achieved (or expected) results of implemented (or planned) recycling optimization strategies. The paper is illustrated by a case study on the recycling of LCD televisions. (C) 2014 Elsevier Ltd. All rights reserved. | ||||
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| Language | Wos | 000343781500030 | Publication Date | 2014-07-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0959-6526 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | no | |||
| Call Number | UA @ admin @ c:irua:121160 | Serial | 7393 | ||
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| Author |
Neek-Amal, M.; Xu, P.; Schoelz, J.K.; Ackerman, M.L.; Barber, S.D.; Thibado, P.M.; Sadeghi, A.; Peeters, F.M. | ||||
| Title | Thermal mirror buckling in freestanding graphene locally controlled by scanning tunnelling microscopy | Type | A1 Journal article | ||
| Year | 2014 | Publication | Nature communications | Abbreviated Journal | Nat Commun |
| Volume | 5 | Issue | Pages | 4962 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | Knowledge of and control over the curvature of ripples in freestanding graphene are desirable for fabricating and designing flexible electronic devices, and recent progress in these pursuits has been achieved using several advanced techniques such as scanning tunnelling microscopy. The electrostatic forces induced through a bias voltage (or gate voltage) were used to manipulate the interaction of freestanding graphene with a tip (substrate). Such forces can cause large movements and sudden changes in curvature through mirror buckling. Here we explore an alternative mechanism, thermal load, to control the curvature of graphene. We demonstrate thermal mirror buckling of graphene by scanning tunnelling microscopy and large-scale molecular dynamic simulations. The negative thermal expansion coefficient of graphene is an essential ingredient in explaining the observed effects. This new control mechanism represents a fundamental advance in understanding the influence of temperature gradients on the dynamics of freestanding graphene and future applications with electro-thermal-mechanical nanodevices. | ||||
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| Language | Wos | 000342984800018 | Publication Date | 2014-09-17 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2041-1723; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 12.124 | Times cited | 36 | Open Access | |
| Notes | ; Financial support for this study was provided, in part, by the Office of Naval Research under grant N00014-10-1-0181, the National Science Foundation under grant DMR-0855358, the EU-Marie Curie IIF postdoc Fellowship/299855 (for M. N.-A.), the ESF-EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. M.N.-A. has also been supported partially by BOF project of University of Antwerp number 28033. ; | Approved | Most recent IF: 12.124; 2014 IF: 11.470 | ||
| Call Number | UA @ lucian @ c:irua:121121 | Serial | 3628 | ||
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| Author |
Neek-Amal, M.; Xu, P.; Qi, D.; Thibado, P.M.; Nyakiti, L.O.; Wheeler, V.D.; Myers-Ward, R.L.; Eddy, C.R.; Gaskill, D.K.; Peeters, F.M. | ||||
| Title | Membrane amplitude and triaxial stress in twisted bilayer graphene deciphered using first-principles directed elasticity theory and scanning tunneling microscopy | Type | A1 Journal article | ||
| Year | 2014 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 90 | Issue | 6 | Pages | 064101 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Twisted graphene layers produce a moire pattern (MP) structure with a predetermined wavelength for a given twist angle. However, predicting the membrane corrugation amplitude for any angle other than pure AB-stacked or AA-stacked graphene is impossible using first-principles density functional theory (DFT) due to the large supercell. Here, within elasticity theory, we define the MP structure as the minimum-energy configuration, thereby leaving the height amplitude as the only unknown parameter. The latter is determined from DFT calculations for AB-and AA-stacked bilayer graphene in order to eliminate all fitting parameters. Excellent agreement with scanning tunneling microscopy results across multiple substrates is reported as a function of twist angle. | ||||
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| Language | Wos | 000339995800001 | Publication Date | 2014-08-01 | |
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| 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 | ; 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 postdoctoral Fellowship No. 299855. P.M.T. is thankful for the financial support of the Office of Naval Research under Grant No. N00014-10-1-0181 and the National Science Foundation under Grant No. DMR-0855358. L.O.N. acknowledges the support of the American Society for Engineering Education and Naval Research Laboratory Postdoctoral Fellow Program. Work at the US Naval Research Laboratory is supported by the Office of Naval Research. ; | Approved | Most recent IF: 3.836; 2014 IF: 3.736 | ||
| Call Number | UA @ lucian @ c:irua:118774 | Serial | 1991 | ||
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| Author |
Neek-Amal, M.; Peeters, F.M. | ||||
| Title | Graphene on boron-nitride : Moiré pattern in the van der Waals energy | Type | A1 Journal article | ||
| Year | 2014 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
| Volume | 104 | Issue | 4 | Pages | 041909-4 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The spatial dependence of the van der Waals (vdW) energy between graphene and hexagonal boron-nitride (h-BN) is investigated using atomistic simulations. The van der Waals energy between graphene and h-BN shows a hexagonal superlattice structure identical to the observed Moire pattern in the local density of states, which depends on the lattice mismatch and misorientation angle between graphene and h-BN. Our results provide atomistic features of the weak van der Waals interaction between graphene and BN which are in agreement with experiment and provide an analytical expression for the size of the spatial variation of the weak van der Waals interaction. We also found that the A-B-lattice symmetry of graphene is broken along the armchair direction. (C) 2014 AIP Publishing LLC. | ||||
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| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000331209900028 | Publication Date | 2014-01-31 | |
| 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 | 61 | 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 postdoctoral Fellowship/299855. ; | Approved | Most recent IF: 3.411; 2014 IF: 3.302 | ||
| Call Number | UA @ lucian @ c:irua:115802 | Serial | 1374 | ||
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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. | ||||
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| 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 | 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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| Author |
Nasr Esfahani, D.; Covaci, L.; Peeters, F.M. | ||||
| Title | Surface correlation effects in two-band strongly correlated slabs | Type | A1 Journal article | ||
| Year | 2014 | Publication | Journal of physics : condensed matter | Abbreviated Journal | J Phys-Condens Mat |
| Volume | 26 | Issue | 7 | Pages | 075601-75609 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Using an extension of the Gutzwiller approximation for an inhomogeneous system, we study the two-band Hubbard model with unequal band widths for a slab geometry. The aim is to investigate the mutual effect of individual bands on the spatial distribution of quasi-particle weight and charge density, especially near the surface of the slab. The main effect of the difference in band width is the presence of two different length scales corresponding to the quasi-particle profile of each band. This is enhanced in the vicinity of the critical interaction of the narrow band where an orbitally selective Mott transition occurs and a surface dead layer forms for the narrow band. For the doped case, two different regimes of charge transfer between the surface and the bulk of the slab are revealed. The charge transfer from surface/ center to center/ surface depends on both the doping level and the average relative charge accumulated in each band. Such effects could also be of importance when describing the accumulation of charges at the interface between structures made of multi-band strongly correlated materials. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | 000330719500009 | Publication Date | 2014-01-29 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0953-8984;1361-648X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.649 | Times cited | 1 | Open Access | |
| Notes | ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program of the Flemish government. One of us (LC) is a postdoctoral fellow of the FWO-Vl. ; | Approved | Most recent IF: 2.649; 2014 IF: 2.346 | ||
| Call Number | UA @ lucian @ c:irua:115723 | Serial | 3395 | ||
| Permanent link to this record | |||||
| Author |
Nasr Esfahani, D. | ||||
| Title | Strongly correlated electronic systems : influence of electric field and doping | 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:118557 | Serial | 3186 | ||
| Permanent link to this record | |||||
| 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. |
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| 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 | 17 | Open Access | ||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | EMAT @ emat @ | Serial | 4544 | ||
| Permanent link to this record | |||||
| Author |
N. Gauquelin, D. G. Hawthorn, G. A. Sawatzky, R. X. Liang, D. A. Bonn, W. N. Hardy & G.A. Botton | ||||
| Title | Atomic scale real-space mapping of holes in YBa2Cu3O6+δ | Type | A1 Journal Article | ||
| Year | 2014 | Publication | Nature Communications | Abbreviated Journal | |
| Volume | 5 | Issue | Pages | 4275 | |
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | The high-temperature superconductor YBa2Cu3O6+δ consists of two main structural units—a bilayer of CuO2 planes that are central to superconductivity and a CuO2+δ chain layer. Although the functional role of the planes and chains has long been established, most probes integrate over both, which makes it difficult to distinguish the contribution of each. Here we use electron energy loss spectroscopy to directly resolve the plane and chain contributions to the electronic structure in YBa2Cu3O6 and YBa2Cu3O7. We directly probe the charge transfer of holes from the chains to the planes as a function of oxygen content, and show that the change in orbital occupation of Cu is large in the chain layer but modest in CuO2 planes, with holes in the planes doped primarily into the O 2p states. These results provide direct insight into the local electronic structure and charge transfers in this important high-temperature superconductor. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000340615100002 | Publication Date | 2014-07-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | ISBN | Additional Links | |||
| Impact Factor | Times cited | 22 | Open Access | ||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | EMAT @ emat @ | Serial | 4542 | ||
| Permanent link to this record | |||||
| Author |
Muñoz, W.A. | ||||
| Title | Superconducting correlations in single and multilayer graphene | 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:120588 | Serial | 3350 | ||
| Permanent link to this record | |||||
| Author |
Mueller, K.; Krause, F.F.; Béché, A.; Schowalter, M.; Galioit, V.; Loeffler, S.; Verbeeck, J.; Zweck, J.; Schattschneider, P.; Rosenauer, A. | ||||
| Title | Atomic electric fields revealed by a quantum mechanical approach to electron picodiffraction | Type | A1 Journal article | ||
| Year | 2014 | Publication | Nature communications | Abbreviated Journal | Nat Commun |
| Volume | 5 | Issue | Pages | 5653 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | By focusing electrons on probes with a diameter of 50 pm, aberration-corrected scanning transmission electron microscopy (STEM) is currently crossing the border to probing subatomic details. A major challenge is the measurement of atomic electric fields using differential phase contrast (DPC) microscopy, traditionally exploiting the concept of a field- induced shift of diffraction patterns. Here we present a simplified quantum theoretical interpretation of DPC. This enables us to calculate the momentum transferred to the STEM probe from diffracted intensities recorded on a pixel array instead of conventional segmented bright- field detectors. The methodical development yielding atomic electric field, charge and electron density is performed using simulations for binary GaN as an ideal model system. We then present a detailed experimental study of SrTiO3 yielding atomic electric fields, validated by comprehensive simulations. With this interpretation and upgraded instrumentation, STEM is capable of quantifying atomic electric fields and high-contrast imaging of light atoms. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000347227700003 | Publication Date | 2014-12-15 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2041-1723; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 12.124 | Times cited | 197 | Open Access | |
| Notes | 246791 COUNTATOMS; 278510 VORTEX; Hercules; 312483 ESTEEM2; esteem2ta; ECASJO; | Approved | Most recent IF: 12.124; 2014 IF: 11.470 | ||
| Call Number | UA @ lucian @ c:irua:122835UA @ admin @ c:irua:122835 | Serial | 166 | ||
| Permanent link to this record | |||||
| Author |
Morozov, V.A.; Lazoryak, B.I.; Shmurak, S.Z.; Kiselev, A.P.; Lebedev, O.I.; Gauquelin, N.; Verbeeck, J.; Hadermann, J.; Van Tendeloo, G. | ||||
| Title | Influence of the structure on the properties of NaxEuy(MoO4)z red phosphors | Type | A1 Journal article | ||
| Year | 2014 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
| Volume | 26 | Issue | 10 | Pages | 3238-3248 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Scheelite related compounds (A',A '')(n)[(B',B '')O-4](m) with B', B '' = W and/or Mo are promising new materials for red phosphors in pc-WLEDs (phosphor-converted white-light-emitting-diode) and solid-state lasers. Cation substitution in CaMoO4 of Ca2+ by the combination of Na+ and Eu3+, with the creation of A cation vacancies, has been investigated as a factor for controlling the scheelite-type structure and the luminescent properties. Na5Eu(MoO4)(4) and NaxEu(2-x)/33+square(2-x)/3MoO4 (0.138 <= x <= 0.5) phases with a scheelite-type structure were synthesized by the solid state method; their structural characteristics were investigated using transmission electron microscopy. Contrary to powder synchrotron X-ray diffraction before, the study by electron diffraction and high resolution transmission electron microscopy in this paper revealed that Na0.286Eu0.571MoO4 has a (3 + 2)D incommensurately modulated structure and that (3 + 2)D incommensurately modulated domains are present in Na0.200Eu0.600MoO4. It also confirmed the (3 + 1)D incommensurately modulated character of Na(0.138)Eu(0.621)Mo04. The luminescent properties of all phases under near-ultraviolet (n-UV) light have been investigated. The excitation spectra of these phosphors show the strongest absorption at about 395 nm, which matches well with the commercially available n-UV-emitting GaN-based LED chip. The emission spectra indicate an intense red emission due to the D-5(0) -> F-7(2) transition of Eu3+, with local minima in the intensity at Na0.286Eu0.571MoO4 and Na0.200Eu0.600MoO4 for similar to 613 nm and similar to 616 nm bands. The phosphor Na5Eu(MoO4)(4) shows the brightest red light emission among the phosphors in the Na2MoO4-Eu2/3MoO4 system and the maximum luminescence intensity of Na5Eu(MoO4)(4) (lambda(ex) = 395 nm) in the D-5(0) -> F-7(2) transition region is close to that of the commercially used red phosphor YVO4:Eu3+ (lambda(ex) = 326 nm). Electron energy loss spectroscopy measurements revealed the influence of the structure and Na/Eu cation distribution on the number and positions of bands in the UV-optical-infrared regions of the EELS spectrum. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000336637000028 | Publication Date | 2014-05-01 | |
| 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 | 53 | Open Access | |
| Notes | Fwo G039211n; Fwo G004413n; 278510 Vortex ECASJO_; | Approved | Most recent IF: 9.466; 2014 IF: 8.354 | ||
| Call Number | UA @ lucian @ c:irua:117765UA @ admin @ c:irua:117765 | Serial | 1652 | ||
| Permanent link to this record | |||||
| Author |
Mordvinova, N.; Emelin, P.; Vinokurov, A.; Dorofeev, S.; Abakumov, A.; Kuznetsova, T. | ||||
| Title | Surface processes during purification of InP quantum dots | Type | A1 Journal article | ||
| Year | 2014 | Publication | Beilstein journal of nanotechnology | Abbreviated Journal | Beilstein J Nanotech |
| Volume | 5 | Issue | Pages | 1220-1225 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Recently, a new simple and fast method for the synthesis of InP quantum dots by using phosphine as phosphorous precursor and myristic acid as surface stabilizer was reported. Purification after synthesis is necessary to obtain samples with good optical properties. Two methods of purification were compared and the surface processes which occur during purification were studied. Traditional precipitation with acetone is accompanied by a small increase in photoluminescence. It occurs that during the purification the hydrolysis of the indium precursor takes place, which leads to a better surface passivation. The electrophoretic purification technique does not increase luminescence efficiency but yields very pure quantum dots in only a few minutes. Additionally, the formation of In(OH)(3) during the low temperature synthesis was explained. Purification of quantum dots is a very significant part of post-synthetical treatment that determines the properties of the material. But this subject is not sufficiently discussed in the literature. The paper is devoted to the processes that occur at the surface of quantum dots during purification. A new method of purification, electrophoresis, is investigated and described in particular. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000339912400002 | Publication Date | 2014-08-06 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2190-4286; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.127 | Times cited | 5 | Open Access | |
| Notes | Approved | Most recent IF: 3.127; 2014 IF: 2.670 | |||
| Call Number | UA @ lucian @ c:irua:118748 | Serial | 3397 | ||
| Permanent link to this record | |||||
| 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 | 17 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 2.068; 2014 IF: 2.183 | ||
| Call Number | UA @ lucian @ c:irua:119260 | Serial | 2882 | ||
| Permanent link to this record | |||||
| 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. | ||||
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| 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 | 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 | ||
| Permanent link to this record | |||||
| Author |
Monico, L.; Janssens, K.; Vanmeert, F.; Cotte, M.; Brunetti, B.G.; van der Snickt, G.; Leeuwestein, M.; Plisson, J.S.; Menu, M.; Miliani, C. | ||||
| Title | Degradation process of lead chromate in paintings by Vincent van Gogh studied by means of spectromicroscopic methods : part 5 : effects of nonoriginal surface coatings into the nature and distribution of chromium and sulfur species in chrome yellow paints | Type | A1 Journal article | ||
| Year | 2014 | Publication | Analytical chemistry | Abbreviated Journal | Anal Chem |
| Volume | 86 | Issue | 21 | Pages | 10804-10811 |
| Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | The darkening of lead chromate yellow pigments, caused by a reduction of the chromate ions to Cr(III) compounds, is known to affect the appearance of several paintings by Vincent van Gogh. In previous papers of this series, we demonstrated that the darkening is activated by light and depends on the chemical composition and crystalline structure of the pigments. In this work, the results of Part 2 are extended and complemented with a new study aimed at deepening the knowledge of the nature and distribution of Cr and S species at the interface between the chrome yellow paint and the nonoriginal coating layer. For this purpose, three microsamples from two varnished paintings by Van Gogh and a waxed low relief by Gauguin (all originally uncoated) have been examined. Because nonoriginal coatings are often present in artwork by Van Gogh and contemporaries, the understanding of whether or not their application has influenced the morphological and/or physicochemical properties of the chrome yellow paint underneath is relevant in view of the conservation of these masterpieces. In all the samples studied, microscopic X-ray fluorescence (mu-XRF) and X-ray absorption near edge structure (mu-XANES) investigations showed that Cr(III)-based alteration products are present in the form of grains inside the coating (generally enriched of S species) and also homogeneously widespread at the paint surface. The distribution of Cr(III) species may be explained by the mechanical friction caused by the coating application by brush that picked up and redistributed the superficial Cr compounds, likely already present in the reduced state as result of the photodegradation process. The analysis of the XANES profiles allowed us to obtain new insights into the nature of the Cr(III) alteration products, that were identified as sulfate-, oxide-, organo-metal-, and chloride-based compounds. Building upon the knowledge acquired through the examination of original paint samples and from the investigation of aged model paints in the last Part 4 paper, in this study we aim to characterize a possible relation between the chemical composition of the coating and the chrome yellow degradation pathways by studying photochemically aged model samples covered with a dammar varnish contaminated with sulfide and sulfate salts. Cr speciation results did not show any evidence of the active role of the varnish and added S species on the reduction process of chrome yellows. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000344510200043 | Publication Date | 2014-10-10 | |
| 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 | 25 | Open Access | |
| Notes | ; This research was supported by the Italian projects PRIN (SICH) and PON (ITACHA). The text also presents results from Interuniversity Attraction Poles Programme Belgian Science Policy (S2-ART project S4DA), GOA “XANES meets ELNES” (Research Fund University of Antwerp, Belgium) and FWO (Brussels, Belgium) projects no. G.0704.08 and G.01769.09. ESRF is acknowledged for the grants received (experiments EC-799 and EC-1051). L.M. acknowledges the CNR for the financial support received in the framework of the Short Term Mobility Programme 2013. Thanks are expressed to Ella Hendriks (Van Gogh Museum, Amsterdam) and Muriel Geldof (Cultural Heritage Agency of The Netherlands) for selecting and sharing the information on the cross-section taken from Bank of the Seine. All the staff of the Van Gogh Museum, the Kroller-Muller Museum, and the Musee d'Orsay are acknowledged for the agreeable cooperation. ; | Approved | Most recent IF: 6.32; 2014 IF: 5.636 | ||
| Call Number | UA @ admin @ c:irua:122100 | Serial | 5570 | ||
| Permanent link to this record | |||||
| Author |
Monico, L.; Janssens, K.; Hendriks, E.; Brunetti, B.G.; Miliani, C. | ||||
| Title | Raman study of different crystalline forms of PbCrO4 and PbCr1-xSxO4 solid solutions for the noninvasive identification of chrome yellows in paintings : a focus on works by Vincent van Gogh | Type | A1 Journal article | ||
| Year | 2014 | Publication | Journal of Raman spectroscopy | Abbreviated Journal | J Raman Spectrosc |
| Volume | 45 | Issue | 11-12 | Pages | 1034-1045 |
| Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | Chrome yellows, a class of pigments frequently used by painters of the Impressionism and Post-impressionism period, are known for their different chemical stability; the latter depends on the chemical composition (PbCrO4, PbCr1-xSxO4) and crystalline structure (monoclinic or orthorhombic) of the material. The possibility to distinguish among different forms of this pigment is therefore relevant in order to extend knowledge on the corresponding degradation process that is observed on several original paintings. For this purpose, three paintings conserved at the Van Gogh Museum (Amsterdam) were analyzed using noninvasive Raman spectroscopy, while equivalent investigations employing bench-top instrumentation were performed to obtain information from micro-samples originating from these works of art. In each painting, the chrome yellow was identified either as monoclinic PbCrO4 or in the form of monoclinic PbCr1-xSxO4 (x<0.25) or S-rich orthorhombic PbCr1-xSxO4 (x similar to 0.5). Our ability to make this fairly subtle distinction is based on a Raman study of several oil paint model samples made up of monoclinic and/or orthorhombic crystalline forms of PbCrO4 and PbCr1-xSxO4 (0.1x0.8). These paints were studied using several excitation wavelengths (namely 785.0, 532.0, 514.5, and 488nm). Because of the absence of the resonance Raman effect, which strongly enhances the chromate symmetric stretching band, and the absence of any laser-induced photodecomposition, it is advantageous to acquire data at 785.0nm. The band-shape and the position of the chromate bending modes proved to be more sensitive to the solid solution composition and crystalline structure than the stretching modes and can be used as distinctive spectral markers to discriminate among the different chrome yellow forms that are present. Copyright (c) 2014 John Wiley & Sons, Ltd. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000346912700008 | Publication Date | 2014-07-17 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0377-0486 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.969 | Times cited | 34 | Open Access | |
| Notes | ; This research was supported by Interuniversity Attraction Poles Programme – Belgian Science Policy (S2-ART project S4DA) and also presents results from GOA 'XANES meets ELNES' (Research Fund University of Antwerp, Belgium), FWO (Brussels, Belgium) projects no. G.0704.08 and G.01769.09. Support from the Italian projects PRIN (SICH Sustainability in Cultural Heritage: from diagnosis to the development of innovative system for consolidation, cleaning and protection) and PON (ITACHA Italian advanced technologies for cultural heritage applications) is also acknowledged. The analysis of the paintings Sunflowers gone to seed, Bank of the Seine, and Portrait of Gauguin was performed within the mobile laboratory access activity of the FP7 programme CHARISMA supported by EC (Grant Agreement 228330). LM acknowledges the Italian National Research Council (CNR) for the financial support in the framework of the Short Term Mobility Programme 2013. Thanks are expressed to Muriel Geldof, Cultural Heritage Agency of The Netherlands, for selecting and sharing the information on the cross-sections and to the staff of the Van Gogh Museum for the agreeable cooperation. ; | Approved | Most recent IF: 2.969; 2014 IF: 2.671 | ||
| Call Number | UA @ admin @ c:irua:122841 | Serial | 5798 | ||
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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. | ||||
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| 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 | 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 | ||
| Permanent link to this record | |||||
| Author |
Milovanović, S.P.; Masir, M.R.; Peeters, F.M. | ||||
| Title | Magnetic electron focusing and tuning of the electron current with a pn-junction | Type | A1 Journal article | ||
| Year | 2014 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
| Volume | 115 | Issue | 4 | Pages | 043719-6 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Transverse magnetic focusing properties of graphene using a ballistic four terminal structure are investigated. The electric response is obtained using the semiclassical billiard model. The transmission exhibits pronounced peaks as a consequence of skipping orbits at the edge of the structure. When we add a pn-junction between the two probes, snake states along the pn-interface appear. Injected electrons are guided by the pn-interface to one of the leads depending on the value of the applied magnetic field. Oscillations in the resistance are found depending on the amount of particles that end up in each lead. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000331210800066 | Publication Date | 2014-01-30 | |
| 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 | 21 | 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: 2.068; 2014 IF: 2.183 | ||
| Call Number | UA @ lucian @ c:irua:115801 | Serial | 1866 | ||
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| Author |
Miglio, A.; Saniz, R.; Waroquiers, D.; Stankovski, M.; Giantomassi, M.; Hautier, G.; Rignanese, G.-M.; Gonze, X. | ||||
| Title | Computed electronic and optical properties of SnO2 under compressive stress | Type | A1 Journal article | ||
| Year | 2014 | Publication | Optical materials | Abbreviated Journal | Opt Mater |
| Volume | 38 | Issue | Pages | 161-166 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We consider the effects of three different types of applied compressive stress on the structural, electronic and optical properties of rutile SnO2. We use standard density functional theory (OFT) to determine the structural parameters. The effective masses and the electronic band gap, as well as their stress derivatives, are computed within both DFT and many-body perturbation theory (MBPT). The stress derivatives for the SnO2 direct band gap are determined to be 62, 38 and 25 meV/GPa within MBPT for applied hydrostatic, biaxial and uniaxial stress, respectively. Compared to DFT, this is a clear improvement with respect to available experimental data. We also estimate the exciton binding energies and their stress coefficients and compute the absorption spectrum by solving the Bethe-Salpeter equation. (C) 2014 Elsevier B.V. All rights reserved. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000346228800028 | Publication Date | 2014-11-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0925-3467; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.238 | Times cited | 6 | Open Access | |
| Notes | ; This work was supported by the FRS-FNRS through a FRIA grant (D.W.) and a FNRS grant (G.H.). This work was also supported by the IWT Project Number 080023 (ISIMADE), the Region Wallonne through WALL-ETSF project Number 816849, the EU-FP7 HT4TCOS Grant No. PCIG11-GA-2912-321988, the FRS-FNRS through contracts FRFC Number 2.4.589.09.F and AIXPHO (PDR Grant T-0238.13). The authors would like to thank Yann Pouillon and Jean-Michel Beuken for their valuable technical support and help with the test and build system of ABINIT. Computational resources have been provided by the supercomputing facilities of the Universite catholique de Louvain (CISM/UCL) and the Consortium des Equipements de Calcul Intensif en Federation Wallonie Bruxelles (CECI) funded by the Fonds de la Recherche Scientifique de Belgique (FRS-FNRS) under Grant No. 2.5020.11. ; | Approved | Most recent IF: 2.238; 2014 IF: 1.981 | ||
| Call Number | UA @ lucian @ c:irua:122747 | Serial | 460 | ||
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| Author |
Meul, M.; Van Middelaar, C.E.; de Boer, I.J.M.; Van Passel, S.; Fremaut, D.; Haesaert, G. | ||||
| Title | Potential of life cycle assessment to support environmental decision making at commercial dairy farms | Type | A1 Journal article | ||
| Year | 2014 | Publication | Agricultural Systems | Abbreviated Journal | Agr Syst |
| Volume | 131 | Issue | Pages | 105-115 | |
| Keywords | A1 Journal article; Engineering Management (ENM) | ||||
| Abstract | In this paper, we evaluate the potential of life cycle assessment (LCA) to support environmental decision making at commercial dairy farms. To achieve this, we follow a four-step method that allows converting environmental assessment results using LCA into case-specific advice for farmers. This is illustrated in a case-study involving 20 specialized Flemish dairy farms. Calculated LCA indicators are normalized into scores between 0 and 100, whereby a score of 100 is assumed optimal, to allow for a mutual comparison of indicators for different environmental impact categories. Next, major farm and management characteristics affecting environmental performance are identified using multiple regression and correlation analyses. Finally, comparing specific farm and management characteristics with those of best performing farms identifies farm-specific optimization strategies. We conclude that this approach complies with most of the identified critical success factors for the successful implementation of LCA as a decision support system for farmers. Key aspects herein are (i) the flexibility and accessibility of the model, (ii) the use of readily available farm data, (iii) farm advisors being intended model users, (iv) the identification of key farm and management characteristics affecting environmental performance and (v) the organization of discussion sessions involving farmers and farm advisors. However, attention should be paid (i) to provide sufficient training and guidance for farm advisors on the use of the applied LCA model and the interpretation of results, (ii) to evaluate the correctness of the used data and (iii) to keep the model up-to-date according to new scientific insights and knowledge concerning LCA methodology. (C) 2014 Elsevier Ltd. All rights reserved. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000343955300011 | Publication Date | 2014-09-15 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0308-521x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.571 | Times cited | 25 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 2.571; 2014 IF: 2.906 | ||
| Call Number | UA @ admin @ c:irua:127540 | Serial | 6238 | ||
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| Author |
Mees, M.J.; Pourtois, G.; Rosciano, F.; Put, B.; Vereecken, P.M.; Stesmans, A. | ||||
| Title | First-principles material modeling of solid-state electrolytes with the spinel structure | Type | A1 Journal article | ||
| Year | 2014 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
| Volume | Issue | Pages | |||
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Ionic diffusion through the novel (AlxMg1-2xLix)Al2O4 spinel electrolyte is investigated using first-principles calculations, combined with the Kinetic Monte Carlo algorithm. We observe that the ionic diffusion increases with the lithium content x. Furthermore, the structural parameters, formation enthalpies and electronic structures of (AlxMg1-2xLix)Al2O4 are calculated for various stoichiometries. The overall results indicate the (AlxMg1-2xLix)Al2O4 stoichiometries x = 0.2...0.3 as most promising. The (AlxMg1-2xLix)Al2O4 electrolyte is a potential candidate for the all-spinel solid-state battery stack, with the material epitaxially grown between well-known spinel electrodes, such as LiyMn2O4 and Li4+3yTi5O12 (y = 0...1). Due to their identical crystal structure, a good electrolyte-electrode interface is expected. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Cambridge | Editor | ||
| Language | Wos | 000332395700048 | Publication Date | 2014-02-07 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1463-9076; 1463-9084 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.123 | Times cited | 8 | Open Access | |
| Notes | Approved | Most recent IF: 4.123; 2014 IF: 4.493 | |||
| Call Number | UA @ lucian @ c:irua:128893 | Serial | 4520 | ||
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