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Author Kolev, S.; Sun, S.; Trenchev, G.; Wang, W.; Wang, H.; Bogaerts, A. pdf  url
doi  openurl
  Title Quasi-Neutral Modeling of Gliding Arc Plasmas: Quasi-Neutral Modeling of Gliding Arc Plasmas Type A1 Journal article
  Year 2017 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym  
  Volume 14 Issue 14 Pages 1600110  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The modelling of a gliding arc discharge (GAD) is studied by means of the quasineutral (QN) plasma modelling approach. The model is first evaluated for reliability and proper description of a gliding arc discharge at atmospheric pressure, by comparing with a more elaborate non-quasineutral (NQN) plasma model in two different geometries – a 2D axisymmetric and a Cartesian geometry. The NQN model is considered as a reference, since it provides a continuous self-consistent plasma description, including the near electrode regions. In general, the results of the QN model agree very well with those obtained from the NQN model. The small differences between both models are attributed to the approximations in the derivation of the QN model. The use of the QN model provides a substantial reduction of the computation time compared to the NQN model, which is crucial for the development of more complex models in three dimensions or with complicated chemistries. The latter is illustrated for (i) a reverse vortex flow(RVF) GAD in argon, and (ii) a GAD in CO2. The RVF discharge is modelled in three dimensions and the effect of the turbulent heat transport on the plasma and gas characteristics is

discussed. The GAD model in CO2 is in a 1D geometry with axial symmetry and provides results for the time evolution of the electron, gas and vibrational temperature of CO2, as well as for the molar fractions of the different species.		  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000403074000011 Publication Date 2016-10-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1612-8850 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.846 Times cited 9 Open Access Not_Open_Access  
  Notes Methusalem financing of the University of Antwerp; Approved Most recent IF: 2.846  
  Call Number PLASMANT @ plasmant @ c:irua:142982 Serial 4570  
Permanent link to this record
 
 
Author Berthelot, A.; Bogaerts, A. pdf  url
doi  openurl
  Title Modeling of CO2Splitting in a Microwave Plasma: How to Improve the Conversion and Energy Efficiency Type A1 Journal article
  Year 2017 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 121 Issue 121 Pages 8236-8251  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Microwave plasmas are one of the most promising techniques for CO2 conversion into value-added chemicals and fuels since they are very energy efficient. Nevertheless, experiments show that this high energy efficiency is only reached at low pressures and significantly drops toward atmospheric pressure, which is a clear limitation for industrial applications. In this paper, we use a zerodimensional reaction kinetics model to simulate a CO2 microwave plasma in a pressure range from 50 mbar to 1 bar, in order to evaluate the reasons for this decrease in energy efficiency at atmospheric pressure. The code includes a detailed description of the vibrational kinetics of CO2, CO, and O2 as well as the energy exchanges between them because the vibrational kinetics is known to be crucial for energy efficient CO2 splitting. First, we use a self-consistent gas temperature calculation in order to assess the key performance indicators for CO2 splitting, i.e., the CO2 conversion and corresponding energy efficiency. Our results indicate that lower pressures and higher power densities lead to more vibrational excitation, which is beneficial for the conversion. We also demonstrate the key role of the gas temperature. The model predicts the highest conversion and energy efficiencies at pressures around 300 mbar, which is in agreement with experiments from the literature. We also show the beneficial aspect of fast gas cooling in the afterglow at high pressure. In a second step, we study in more detail the effects of pressure, gas temperature, and power density on the vibrational distribution function and on the dissociation and recombination mechanisms of CO2, which define the CO2 splitting efficiency. This study allows us to identify the limiting factors of CO2 conversion and to propose potential solutions to improve the process.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000400039300002 Publication Date 2017-04-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.536 Times cited 47 Open Access OpenAccess  
  Notes Federaal Wetenschapsbeleid; Approved Most recent IF: 4.536  
  Call Number PLASMANT @ plasmant @ c:irua:142809 Serial 4567  
Permanent link to this record
 
 
Author Georgieva, V.; Berthelot, A.; Silva, T.; Kolev, S.; Graef, W.; Britun, N.; Chen, G.; van der Mullen, J.; Godfroid, T.; Mihailova, D.; van Dijk, J.; Snyders, R.; Bogaerts, A.; Delplancke-Ogletree, M.-P. pdf  url
doi  openurl
  Title Understanding Microwave Surface-Wave Sustained Plasmas at Intermediate Pressure by 2D Modeling and Experiments: Understanding Microwave Surface-Wave Sustained Plasmas … Type A1 Journal article
  Year 2017 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym  
  Volume 14 Issue 14 Pages 1600185  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract An Ar plasma sustained by a surfaguide wave launcher is investigated at intermediate pressure (200–2667 Pa). Two 2D self-consistent models (quasi-neutral and plasma bulk-sheath) are developed and benchmarked. The complete set of electromagnetic and fluid equations and the boundary conditions are presented. The transformation of fluid equations from a local reference frame, that is, moving with plasma or when the gas flow is zero, to a laboratory reference frame, that is,

accounting for the gas flow, is discussed. The pressure range is extended down to 80 Pa by experimental measurements. The electron temperature decreases with pressure. The electron density depends linearly on power, and changes its behavior with pressure depending on the product of pressure and radial plasma size.		  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000403074000012 Publication Date 2016-11-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1612-8850 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.846 Times cited 8 Open Access Not_Open_Access  
  Notes Federaal Wetenschapsbeleid; European Marie Curie RAPID project; European Union's Seventh Framework Programme, 606889 ; Approved Most recent IF: 2.846  
  Call Number PLASMANT @ plasmant @ c:irua:142807 Serial 4568  
Permanent link to this record
 
 
Author Zhang, Y.; Wang, H.-yu; Zhang, Y.-ru; Bogaerts, A. pdf  url
doi  openurl
  Title Formation of microdischarges inside a mesoporous catalyst in dielectric barrier discharge plasmas Type A1 Journal article
  Year 2017 Publication Plasma sources science and technology Abbreviated Journal Plasma Sources Sci T  
  Volume 26 Issue 26 Pages 054002  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The formation process of a microdischarge (MD) in both μm- and nm-sized catalyst pores is simulated by a two-dimensional particle-in-cell/Monte Carlo collision model. A parallel-plate dielectric barrier discharge configuration in filamentary mode is considered in ambient air. The discharge is powered by a high voltage pulse. Our calculations reveal that a streamer can penetrate into the surface features of a porous catalyst and MDs can be formed inside both μm- and nm-sized pores, yielding ionization inside the pore. For the μm-sized pores, the ionization mainly occurs inside the pore, while for the nm-sized pores the ionization is strongest near and inside the pore. Thus, enhanced discharges near and inside the mesoporous catalyst are observed. Indeed, the maximum values of the electric field, ionization rate and electron density occur near and inside the pore. The maximum electric field and electron density inside the pore first increase when the pore size rises from 4 nm to 10 nm, and then they decrease for the 100 nm pore, due to

a more pronounced surface discharge for the smaller pores. However, the ionization rate is highest for the 100 nm pore due to the largest effective ionization region.		  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000399277700001 Publication Date 2017-04-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1361-6595 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.302 Times cited 15 Open Access OpenAccess  
  Notes This work was supported by the NSFC (11405067, 11275007, 11375163). Y Zhang gratefully acknowledges the Belgian Federal Science Policy Office for financial support. The authors are very grateful to Wei Jiang for the useful discussions on the photo-ionization model and the particle-incell/ Monte-Carlo model. Approved Most recent IF: 3.302  
  Call Number PLASMANT @ plasmant @ c:irua:142806 Serial 4566  
Permanent link to this record
 
 
Author Lambrinou, K.; Charalampopoulou, E.; Van der Donck, T.; Delville, R.; Schryvers, D. pdf  url
doi  openurl
  Title Dissolution corrosion of 316L austenitic stainless steels in contact with static liquid lead-bismuth eutectic (LBE) at 500 °C Type A1 Journal article
  Year 2017 Publication Journal of nuclear materials Abbreviated Journal J Nucl Mater  
  Volume 490 Issue 490 Pages 9-27  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract This work addresses the dissolution corrosion behaviour of 316L austenitic stainless steels. For this purpose, solution-annealed and cold-deformed 316L steels were simultaneously exposed to oxygen-poor (<10-8 mass%) static liquid lead-bismuth eutectic (LBE) for 253e3282 h at 500 °C. Corrosion was consistently more severe for the cold-drawn steels than the solution-annealed steel, indicating the importance of the steel thermomechanical state. The thickness of the dissolution-affected zone was nonuniform, and sites of locally-enhanced dissolution were occasionally observed. The progress of LBE dissolution attack was promoted by the interplay of certain steel microstructural features (grain boundaries, deformation twin laths, precipitates) with the dissolution corrosion process. The identified dissolution mechanisms were selective leaching leading to steel ferritization, and non-selective leaching; the latter was mainly observed in the solution-annealed steel. The maximum corrosion rate decreased with exposure time and was found to be inversely proportional to the depth of dissolution attack.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000403132300002 Publication Date 2017-04-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3115 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.048 Times cited 24 Open Access OpenAccess  
  Notes The authors would like to acknowledge the following 316L stainless steel suppliers: Industeel, ArcelorMittal Group, for the 316LSA plate procured and characterised in the FP6 EUROTRANSDEMETRA project (Contract no. FI6W-CT-2004-516520); OLARRA Aceros Inoxidables, Spain, for the 316LH1 rod; and SIDERO STAAL nv, Belgium, for the 316LH2 rod. K. Lambrinou would like to thank J. Joris for technical support during the launching and follow up of all corrosion tests, J. Lim for the manufacturing and calibration of the oxygen sensors used in these tests, T. Lapauw for the XRD measurements on the pristine steels, and S. Van den Broeck for the FIB sample preparation. Special thanks to S. Gavrilov for fruitful and intense discussions. The authors gratefully acknowledge the funding provided in the framework of the ongoing development of the MYRRHA irradiation facility. The research leading to these results falls within the framework of the European Energy Research Alliance Joint Programme on Nuclear Materials (EERA JPNM). Approved Most recent IF: 2.048  
  Call Number EMAT @ emat @ c:irua:142644 Serial 4563  
Permanent link to this record
 
 
Author Koelman, P.; Heijkers, S.; Tadayon Mousavi, S.; Graef, W.; Mihailova, D.; Kozak, T.; Bogaerts, A.; van Dijk, J. pdf  url
doi  openurl
  Title A Comprehensive Chemical Model for the Splitting of CO2in Non-Equilibrium Plasmas: A Comprehensive Chemical Model for CO2Splitting Type A1 Journal article
  Year 2017 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym  
  Volume 14 Issue 14 Pages 1600155  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract An extensive CO2 plasmamodel is presented that is relevant for the production of ‘‘solar fuels.’’ It is based on reaction rate coefficients fromrigorously reviewed literature, and is augmented with reactionrate coefficients that are obtained fromscaling laws.The input data set,which is suitable for usage with the plasma simulation software Plasimo (https://plasimo.phys.tue.nl/), is available via the Plasimo and publisher’s websites.1 The correctness of this model implementation has been established by independent ZDPlasKin implementation (http://www.zdplaskin.

laplace.univ-tlse.fr/), to verify that the results agree. Results of these ‘‘global models’’ are presented for a DBD plasma reactor.		  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000403074000009 Publication Date 2016-10-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1612-8850 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.846 Times cited 21 Open Access Not_Open_Access  
  Notes Dutch Technology Foundation STW; Ministerie van Economische Zaken; Hercules Foundation; Acknowledgements: This research is supported by the Dutch Technology Foundation STW, which is part of the Netherlands Organization for Scientific Research (NWO), and which is partly funded by the Ministry of Economic Affairs. Furthermore, we acknowledge financial support from the IAP/7 (Inter-university Attraction Pole) program PSI-Physical Chemistry of Plasma- Surface Interactions by the Belgian Federal Office for Science Policy (BELSPO). Part of the calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. Approved Most recent IF: 2.846  
  Call Number PLASMANT @ plasmant @ c:irua:142643 Serial 4565  
Permanent link to this record
 
 
Author Ghidelli, M.; Idrissi, H.; Gravier, S.; Blandin, J.-J.; Raskin, J.-P.; Schryvers, D.; Pardoen, T. pdf  url
doi  openurl
  Title Homogeneous flow and size dependent mechanical behavior in highly ductile Zr 65 Ni 35 metallic glass films Type A1 Journal article
  Year 2017 Publication Acta materialia Abbreviated Journal Acta Mater  
  Volume 131 Issue 131 Pages 246-259  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Motivated by recent studies demonstrating a high strength – high ductility potential of nano-scale metallic glass samples, the mechanical response of freestanding Zr65Ni35 film with sub-micron thickness has been investigated by combining advanced on-chip tensile testing and electron microscopy. Large deformation up to 15% is found for specimen thicknesses below 500 nm with variations depending on specimen size and frame compliance. The deformation is homogenous until fracture, with no evidence of shear banding. The yield stress is doubled when decreasing the specimen cross-section, reaching ~3 GPa for small cross-sections. The fracture strain variation is related to both the stability of the test device and to the specimen size. The study concludes on clear disconnect between the mechanisms controlling the onset of plasticity and the fracture process.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000402343400023 Publication Date 2017-03-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1359-6454 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.301 Times cited 42 Open Access OpenAccess  
  Notes This work has been funded by the Belgian Science Policy through the IAP 7/21 project. We acknowledge IDS-FunMat for the PhD financial support.We thank the Renatech network and the PTA (Plateforme Technologique Amont) in Grenoble (France) for TFMG deposition facilities. The WINFAB infrastructure at the UCL and the help of R. Vayrette and M. Coulombier for the on-chip tests. H. Idrissi is currently mandated by the Belgian National Fund for Scientific Research (FSR-FNRS). Approved Most recent IF: 5.301  
  Call Number EMAT @ emat @ c:irua:142642 Serial 4562  
Permanent link to this record
 
 
Author Van Laer, K.; Bogaerts, A. pdf  url
doi  openurl
  Title Influence of Gap Size and Dielectric Constant of the Packing Material on the Plasma Behaviour in a Packed Bed DBD Reactor: A Fluid Modelling Study: Influence of Gap Size and Dielectric Constant… Type A1 Journal article
  Year 2017 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym  
  Volume 14 Issue 14 Pages 1600129  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A packed bed dielectric barrier discharge (DBD) was studied by means of fluid modelling, to investigate the influence of the dielectric constant of the packing on the plasma characteristics, for two different gap sizes. The electric field strength and electron temperature are much more enhanced in a microgap reactor than

in a mm-gap reactor, leading to more current peaks per half-cycle, but also to non-quasineutral plasma. Increasing the dielectric constant enhances the electric field further, but only up to a certain value of dielectric constant, being 9 for a microgap and 100 for a mm-gap reactor. The enhanced electric field results in a higher electron temperature, but also lower electron density. This last one strongly affects the reaction rate.		  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000403074000010 Publication Date 2016-09-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1612-8850 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.846 Times cited 23 Open Access Not_Open_Access  
  Notes Acknowledgements: This research was carried out in the framework of the network on Physical Chemistry of Plasma- Surface Interactions – Interuniversity Attraction Poles, phase VII (http://psi-iap7.ulb.ac.be/), and supported by the Belgian Science Policy Office (BELSPO). K. Van Laer is indebted to the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT Flanders) for financial support. The calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. Approved Most recent IF: 2.846  
  Call Number PLASMANT @ plasmant @ c:irua:142639 Serial 4560  
Permanent link to this record
 
 
Author Khalilov, U.; Bogaerts, A.; Neyts, E.C. pdf  url
doi  openurl
  Title Toward the Understanding of Selective Si Nano-Oxidation by Atomic Scale Simulations Type A1 Journal article
  Year 2017 Publication Accounts of chemical research Abbreviated Journal Accounts Chem Res  
  Volume 50 Issue 50 Pages 796-804  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The continuous miniaturization of nanodevices, such as transistors, solar cells, and optical fibers, requires the controlled synthesis of (ultra)thin gate oxides (<10 nm), including Si gate-oxide (SiO2) with high quality at the atomic scale. Traditional thermal growth of SiO2 on planar Si surfaces, however, does not allow one to obtain such ultrathin oxide due to either the high oxygen diffusivity at high temperature or the very low sticking ability of incident oxygen at low temperature. Two recent techniques, both operative at low (room) temperature, have been put forward to overcome these obstacles: (i) hyperthermal oxidation of planar Si surfaces and (ii) thermal or plasma-assisted oxidation of nonplanar Si surfaces, including Si nanowires (SiNWs). These nanooxidation processes are, however, often difficult to study experimentally, due to the key intermediate processes taking place on the nanosecond time scale.

In this Account, these Si nano-oxidation techniques are discussed from a computational point of view and compared to both hyperthermal and thermal oxidation experiments, as well as to well-known models of thermal oxidation, including the Deal−Grove, Cabrera−Mott, and Kao models and several alternative mechanisms. In our studies, we use reactive molecular dynamics (MD) and hybrid MD/Monte Carlo simulation techniques, applying the Reax force field. The incident energy of oxygen species is chosen in the range of 1−5 eV in hyperthermal oxidation of planar Si surfaces in order to prevent energy-induced damage. It turns out that hyperthermal growth allows for two growth modes, where the ultrathin oxide thickness depends on either (1) only the kinetic energy of the incident oxygen species at a growth temperature below Ttrans = 600 K, or (2) both the incident energy and the growth temperature at a growth temperature above Ttrans. These modes are specific to such ultrathin oxides, and are not observed in traditional thermal oxidation, nor theoretically considered by already existing models. In the case of thermal or plasma-assisted oxidation of small Si nanowires, on the other hand, the thickness of the ultrathin oxide is a function of the growth temperature and the nanowire diameter. Below Ttrans, which varies with the nanowire diameter, partially oxidized SiNW are formed, whereas complete oxidation to a SiO2 nanowire occurs only above Ttrans. In both nano-oxidation processes at lower temperature (T < Ttrans), final sandwich c-Si|SiOx|a-SiO2 structures are obtained due to a competition between overcoming the energy barrier to penetrate into Si subsurface layers and the compressive stress (∼2−3 GPa) at the Si crystal/oxide interface. The overall atomic-simulation results strongly indicate that the thickness of the intermediate SiOx (x < 2) region is very limited (∼0.5 nm) and constant irrespective of oxidation parameters. Thus, control over the ultrathin SiO2 thickness with good quality is indeed possible by accurately tuning the oxidant energy, oxidation temperature and surface curvature.

In general, we discuss and put in perspective these two oxidation mechanisms for obtaining controllable ultrathin gate-oxide films, offering a new route toward the fabrication of nanodevices via selective nano-oxidation.		  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000399859800016 Publication Date 2017-04-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0001-4842 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 20.268 Times cited 5 Open Access OpenAccess  
  Notes Fonds Wetenschappelijk Onderzoek, 12M1315N ; Approved Most recent IF: 20.268  
  Call Number PLASMANT @ plasmant @ c:irua:142638 Serial 4561  
Permanent link to this record
 
 
Author Bogaerts, A.; Alves, L.L. pdf  url
doi  openurl
  Title Special issue on numerical modelling of low-temperature plasmas for various applications – part II: Research papers on numerical modelling for various plasma applications Type Editorial
  Year 2017 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym  
  Volume 14 Issue 14 Pages 1790041  
  Keywords Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000403074000001 Publication Date 2017-04-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1612-8850 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.846 Times cited 2 Open Access Not_Open_Access  
  Notes Approved Most recent IF: 2.846  
  Call Number PLASMANT @ plasmant @ c:irua:142637 Serial 4559  
Permanent link to this record
 
 
Author Ben Dkhil, S.; Pfannmöller, M.; Ata, I.; Duche, D.; Gaceur, M.; Koganezawa, T.; Yoshimoto, N.; Simon, J.-J.; Escoubas, L.; Videlot-Ackermann, C.; Margeat, O.; Bals, S.; Bauerle, P.; Ackermann, J. doi  openurl
  Title Time evolution studies of dithieno[3,2-b:2 ',3 '-d] pyrrole-based A-D-A oligothiophene bulk heterojunctions during solvent vapor annealing towards optimization of photocurrent generation Type A1 Journal article
  Year 2017 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A  
  Volume 5 Issue 5 Pages 1005-1013  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Solvent vapor annealing (SVA) is one of the main techniques to improve the morphology of bulk heterojunction solar cells using oligomeric donors. In this report, we study time evolution of nanoscale morphological changes in bulk heterojunctions based on a well-studied dithienopyrrole-based A-D-A oligothiophene (dithieno[3,2-b: 2',3'-d] pyrrole named here 1) blended with [6,6]-phenyl-C-71-butyric acid methyl ester (PC71BM) to increase photocurrent density by combining scanning transmission electron microscopy and low-energy-loss spectroscopy. Our results show that SVA transforms the morphology of 1 : PC71BM blends by a three-stage mechanism: highly intermixed phases evolve into nanostructured bilayers that correspond to an optimal blend morphology. Additional SVA leads to completely phaseseparated micrometer-sized domains. Optical spacers were used to increase light absorption inside optimized 1 : PC71BM blends leading to solar cells of 7.74% efficiency but a moderate photocurrent density of 12.3 mA cm (-2). Quantum efficiency analyses reveal that photocurrent density is mainly limited by losses inside the donor phase. Indeed, optimized 1 : PC71BM blends consist of large donor-enriched domains not optimal for exciton to photocurrent conversion. Shorter SVA times lead to smaller domains; however they are embedded in large mixed phases suggesting that introduction of stronger molecular packing may help us to better balance phase separation and domain size enabling more efficient bulk heterojunction solar cells.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000394430800018 Publication Date 2016-11-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7488; 2050-7496 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.867 Times cited 19 Open Access Not_Open_Access  
  Notes ; We acknowledge financial support by the French Fond Unique Interministeriel (FUI) under the project “SFUMATO” (Grant number: F1110019V/201308815) as well as by the European Commission under the Project “SUNFLOWER” (FP7-ICT-2011-7, Grant number: 287594). The synchrotron radiation experiments were performed at BL19B2 in SPring-8 with the approval of Japan Synchrotron Radiation Research Institute (JASRI) (Proposal No. 2016A1568). We further acknowledge financial support via ERC Starting Grant Colouratoms (335078). ; Approved Most recent IF: 8.867  
  Call Number UA @ lucian @ c:irua:142602UA @ admin @ c:irua:142602 Serial 4695  
Permanent link to this record
 
 
Author Mikhailova, D.; Kuratieva, N.N.; Utsumi, Y.; Tsirlin, A.A.; Abakumov, A.M.; Schmidt, M.; Oswald, S.; Fuess, H.; Ehrenberg, H. doi  openurl
  Title Composition-dependent charge transfer and phase separation in the V1-xRexO2 solid solution Type A1 Journal article
  Year 2017 Publication Journal of the Chemical Society : Dalton transactions Abbreviated Journal  
  Volume 46 Issue 5 Pages 1606-1617  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The substitution of vanadium in vanadium dioxide VO2 influences the critical temperatures of structural and metal-to-insulator transitions in different ways depending on the valence of the dopant. Rhenium adopts valence states between + 4 and + 7 in an octahedral oxygen surrounding and is particularly interesting in this context. Structural investigation of V1-xRexO2 solid solutions (0.01 <= x <= 0.30) between 80 and 1200 K using synchrotron X-ray powder diffraction revealed only two polymorphs that resemble VO2: the low-temperature monoclinic MoO2-type form (space group P2(1)/c), and the tetragonal rutile-like form (space group P4(2)/mnm). However, for compositions with 0.03 < x <= 0.15 a phase separation in the solid solution was observed below 1000 K upon cooling down from 1200 K, giving rise to two isostructural phases with slightly different lattice parameters. This is reflected in the appearance of two metal-toinsulator transition temperatures detected by magnetization and specific heat measurements. Comprehensive X-ray photoelectron spectroscopy studies showed that an increased amount of Re leads to a change in the Re valence state from solely Re6+ at a low doping level (<= 3 at% Re) via mixed-valence states Re4+/Re6+ for at least 0.03 < x <= 0.10, up to nearly pure Re4+ in V0.70Re0.30O2. Thus, compositions V1-xRexO2 with only one valence state of Re in the material (Re6+ or Re4+) can be obtained as a single phase, while intermediate compositions are subjected to a phase separation, presumably due to different valence states of Re.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000395442700030 Publication Date 2016-12-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0300-9246; 1477-9226; 1472-7773 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.029 Times cited 1 Open Access Not_Open_Access  
  Notes ; The authors are indebted to Dr G. Auffermann (Max Planck Institute for Chemical Physics of Solids, Dresden, Germany) for performing the ICP-OES analyses. This research has received a partial funding from the BMBF, project grant number 03SF0477B (DESIREE). AT acknowledges financial support from Federal Ministry for Education and Research under Sofja Kovalevksaya Award of Alexander von Humboldt Foundation. AMA is grateful to the Russian Science Foundation (grant 14-13-00680) for financial support. ; Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:142580 Serial 4642  
Permanent link to this record
 
 
Author Adams, F.; Janssens, K. openurl 
  Title X-ray microanalysis: a new tool for environmental analysis Type H3 Book chapter
  Year 1996 Publication Abbreviated Journal  
  Volume Issue Pages 183-199  
  Keywords H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links (down) UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:14257 Serial 5916  
Permanent link to this record
 
 
Author Janssens, K.; Vekemans, B.; Vincze, L.; Adams, F.; Rindby, A. openurl 
  Title A micro XRF spectrometer based on rotating anode generator and capillary optics Type A1 Journal article
  Year 1996 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal  
  Volume 51 Issue 13 Pages 1661-1678  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0584-8547; 0038-6987 ISBN Additional Links (down) UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:14256 Serial 5720  
Permanent link to this record
 
 
Author Pourbabak, S.; Wang, X.; Van Dyck, D.; Verlinden, B.; Schryvers, D. pdf  url
doi  openurl
  Title Ni cluster formation in low temperature annealed Ni50.6Ti49.4 Type A1 Journal article
  Year 2017 Publication Functional materials letters Abbreviated Journal Funct Mater Lett  
  Volume 10 Issue 10 Pages 1740005  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab  
  Abstract Various low temperature treatments of Ni50.6Ti49.4 have shown an unexpected effect on the martensitic start temperature. Periodic diffuse intensity distributions in reciprocal space indicate the formation of short pure Ni strings along the <111> directions in the B2 ordered lattice, precursing the formation of Ni4Ti3 precipitates formed at higher annealing temperatures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000395164100006 Publication Date 2017-01-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1793-6047 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.234 Times cited 4 Open Access Not_Open_Access  
  Notes The authors like to thank the Flemish Science Foundation FWO for financial support under project G.0366.15N “Influence of nano- and microstructural features and defects in fine-grained Ni-Ti on the thermal and mechanical reversibility of the martensitic transformation and the shape memory and superelastic behavior”. We are also very grateful to Prof. Dr. Jan Van Humbeeck for initiating this work, for his continuous support and inspiring discussions. Approved Most recent IF: 1.234  
  Call Number EMAT @ emat @ c:irua:142545 Serial 4619  
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Author Fernández Becerra, V.; Milošević, M.V. pdf  doi
openurl 
  Title Dynamics of skyrmions and edge states in the resistive regime of mesoscopic p-wave superconductors Type A1 Journal article
  Year 2017 Publication Physica: C : superconductivity Abbreviated Journal Physica C  
  Volume 533 Issue 533 Pages 91-95  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In a mesoscopic sample of a chiral p-wave superconductor, novel states comprising skyrmions and edge states have been stabilized in out-of-plane applied magnetic field. Using the time-dependent Ginzburg-Landau equations we shed light on the dynamic response of such states to an external applied current. Three different regimes are obtained, namely, the superconducting (stationary), resistive (non-stationary) and normal regime, similarly to conventional s-wave superconductors. However, in the resistive regime and depending on the external current, we found that moving skyrmions and the edge state behave distinctly different from the conventional kinematic vortex, thereby providing new fingerprints for identification of p-wave superconductivity. (C) 2016 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000395954100014 Publication Date 2016-07-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-4534 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.404 Times cited 3 Open Access  
  Notes Approved Most recent IF: 1.404  
  Call Number UA @ lucian @ c:irua:142534 Serial 4592  
Permanent link to this record
 
 
Author Lander, L.; Rousse, G.; Batuk, D.; Colin, C.V.; Dalla Corte, D.A.; Tarascon, J.-M. pdf  doi
openurl 
  Title Synthesis, structure, and electrochemical properties of k-based sulfates K2M2(SO4)3) with M = Fe and Cu Type A1 Journal article
  Year 2017 Publication Inorganic chemistry Abbreviated Journal Inorg Chem  
  Volume 56 Issue 4 Pages 2013-2021  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Stabilizing new host structures through potassium extraction from K-based polyanionic materials has been proven to be an interesting approach to develop new Li+/Na+ insertion materials. Pursuing the same trend, we here report the feasibility of preparing langbeinite “Fe-2(SO4)(3)” via electrochemical and chemical oxidation of K2Fe2(SO4)(3). Additionally, we succeeded in stabilizing a new K2Cu2(SO4)(3) phase via a solid-state synthesis approach. This novel compound crystallizes in a complex orthorhombic structure that differs from that of langbeinite as deduced from synchrotron X-ray and neutron powder diffraction. Electrochemically, the performance of this new phase is limited, which we explain in terms of sluggish diffusion kinetics. We further show that K2Cu2(SO4)(3) decomposes into K2Cu3O(SO4)(3) on heating, and we report for the first time the synthesis of fedotovite K2Cu3O(SO4)(3). Finally, the fundamental attractiveness of these S = 1/2 systems for physicists is examined by neutron magnetic diffraction, which reveals the absence of a long-range ordering of Cu2+ magnetic moments down to 1.5 K.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Easton, Pa Editor  
  Language Wos 000394736600027 Publication Date 2017-01-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-1669 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.857 Times cited 13 Open Access Not_Open_Access  
  Notes ; We thank Matthieu Courty for performing TGA/DSC measurements. Use of the 11-BM mail service of the APS at Argonne National Laboratory was supported by the U.S. Department of Energy under Contract DE-AC02-06CH11357 and is acknowledged. The French CRG D1B is acknowledged for allocating neutron beamtime. L.L. thanks the ANR “Hipolite” for the Ph.D. funding. ; Approved Most recent IF: 4.857  
  Call Number UA @ lucian @ c:irua:142531 Serial 4692  
Permanent link to this record
 
 
Author Janssens, K.; Vincze, L.; Aerts, A.; Vekemans, B.; Adams, F.; Jones, K.; Knöchel, A. openurl 
  Title Microscopic synchroton radiation induced X-ray fluorescence analysis Type A3 Journal article
  Year 1996 Publication Mikrochimica acta: supplementum Abbreviated Journal  
  Volume Issue 13 Pages 87-115  
  Keywords A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0076-8642 ISBN Additional Links (down) UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:14252 Serial 5724  
Permanent link to this record
 
 
Author Bencs, L.; Horemans, B.; Buczyńska, A.J.; Van Grieken, R. pdf  doi
openurl 
  Title Uneven distribution of inorganic pollutants in marine air originating from ocean-going ships Type A1 Journal article
  Year 2017 Publication Environmental pollution Abbreviated Journal  
  Volume 222 Issue Pages 226-233  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The distribution of mass, water-soluble inorganic salts and mineral elements of size-segregated aerosols (PM1, PM2.5-1 and PM10-2.5), precursor gaseous pollutants, black carbon, and nanoparticles (10-300 nm size range) at the Southern Bight of the North Sea has been studied. The concentrations of air pollutants peaked over shipping lanes, open-water anchorage areas and frequently navigated waters, due to the presence of mobile emission sources. A considerable decrease in air pollutant levels was seen when diverting from these marine areas towards remote or coastal banks. These findings showed the rapid dispersion of pollutants in the marine air. The nano-aerosol count, originating from ocean-going ships, peaked at lower average aerodynamic diameters (e.g., approximate to 28 nm) than those, observed from low displacement vessels (45-50 nm, e.g., for fishing boats). The average diameter of nano-PM depended also on weather conditions, e.g., it was higher (approximate to 50 nm) in air of higher humidity. (C) 2016 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000395360900028 Publication Date 2017-01-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0269-7491; 1873-6424 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:142516 Serial 8710  
Permanent link to this record
 
 
Author Vanherck, J.; Schulenborg, J.; Saptsov, R.B.; Splettstoesser, J.; Wegewijs, M.R. pdf  url
doi  openurl
  Title Relaxation of quantum dots in a magnetic field at finite bias -Charge, spin, and heat currents Type A1 Journal article
  Year 2017 Publication Physica status solidi: B: basic research Abbreviated Journal Phys Status Solidi B  
  Volume 254 Issue 3 Pages Unsp 1600614  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract <script type='text/javascript'>document.write(unpmarked('We perform a detailed study of the effect of finite bias and magnetic field on the tunneling-induced decay of the state of a quantum dot by applying a recently discovered general duality [Phys. Rev. B 93, 81411 (2016)]. This duality provides deep physical insight into the decay dynamics of electronic open quantum systems with strong Coulomb interaction. It associates the amplitudes of decay eigenmodes of the actual system to the eigenmodes of a so-called dual system with attractive interaction. Thereby, it predicts many surprising features in the transient transport and its dependence on experimental control parameters: the attractive interaction of the dual model shows up as sharp features in the amplitudes of measurable time-dependent currents through the actual repulsive system. In particular, for interacting quantum dots, the time-dependent heat current exhibits a decay mode that dissipates the interaction energy and that is tied to the fermion parity of the system. We show that its decay amplitude has an unexpected gate-voltage dependence that is robust up to sizable bias voltages and then bifurcates, reflecting that the Coulomb blockade is lifted in the dual system. Furthermore, combining our duality relation with the known Iche-duality, we derive new symmetry properties of the decay rates as a function of magnetic field and gate voltage. Finally, we quantify charge- and spin-mode mixing due to the magnetic field using a single mixing parameter.'));  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Berlin Editor  
  Language Wos 000395441500011 Publication Date 2017-01-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0370-1972 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.674 Times cited 4 Open Access  
  Notes ; We acknowledge the financial support of Erasmus Mundus (J. V.), DFG project SCHO 641/7-1 (R.B.S. and M.R.W), the Swedish VR (J.Sc., J.Sp.), and the Knut and Alice Wallenberg Foundation (J. Sp.). The authors thank F. Haupt and N. Dittmann for useful discussions on the topic. ; Approved Most recent IF: 1.674  
  Call Number UA @ lucian @ c:irua:142510 Serial 4894  
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Author De Baere, K.; Verstraelen, H.; Willemen, R.; Smet, J.-P.; Tchuindjang, J.T.; Lecomte-Beckers, J.; Lenaerts, S.; Meskens, R.; Jung, H.G.; Potters, G. pdf  doi
openurl 
  Title Assessment of corrosion resistance, material properties, and weldability of alloyed steel for ballast tanks Type A1 Journal article
  Year 2017 Publication Journal of marine science and technology Abbreviated Journal J Mar Sci Tech-Japan  
  Volume 22 Issue 1 Pages 176-199  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Ballast tanks are of great importance in the lifetime of modern merchant ships. Making a ballast tank less susceptible to corrosion can, therefore, prolong the useful life of a ship and, thereby, lower its operational cost. An option to reinforce a ballast tank is to construct it out of a corrosion-resistant steel type. Such steel was recently produced by POSCO Ltd., South Korea. After 6 months of permanent immersion, the average corrosion rate of A and AH steel (31 samples) was 535 g m(-2) year(-1), while the Korean CRS was corroding with 378 g m(-2) year(-1). This entails a gain of 29 %. Follow-up measurements after 10, 20, and 24 months confirmed this. The results after 6 months exposure to alternating wet/dry conditions are even more explicit. Furthermore, the physical and metallurgical properties of this steel show a density of 7.646 t/m(3), the elasticity modulus 209.3 GPa, the tensile strength 572 MPa, and the hardness 169HV10. Microscopically, the metal consists of equiaxed and recrystallized grains (ferrite and pearlite), with an average size of between 20 and 30 A mu m (ASTM E 112-12 grain size number between 7 and 8) with a few elongated pearlitic grains. The structure is banded ferrite/pearlite. On the basis of a series of energy dispersive X-ray spectrometer measurements the lower corrosion rate of the steel can be attributed to the interplay of Al, Cr, their oxides, and the corroding steel. In addition, the role of each element in the formation of oxide layers and the mechanisms contributing to the corrosion resistance are discussed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000395006400015 Publication Date 2016-07-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0948-4280 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.838 Times cited 3 Open Access  
  Notes ; This paper is published with the explicit permission of POSCO Ltd., original source of the corrosion resistant steel. Due to the creativity of the POSCO engineers and scientists, we could have our challenge, presented in this manuscript. The authors wish to thank the BOF funding received from the University of Antwerp and the Maritime Academy. We also wish to express our gratitude towards to the American Bureau of Shipping for their assistance in procuring the CRS plates, their moral and financial support, as well as to OCAS (Arcelor Mittal, Zelzate, Belgium) for their assistance in a number of measurements. ; Approved Most recent IF: 0.838  
  Call Number UA @ admin @ c:irua:142509 Serial 5928  
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Author Cotte, M.; Pouyet, E.; Salome, M.; Rivard, C.; De Nolf, W.; Castillo-Michel, H.; Fabris, T.; Monico, L.; Janssens, K.; Wang, T.; Sciau, P.; Verger, L.; Cormier, L.; Dargaud, O.; Brun, E.; Bugnazet, D.; Fayard, B.; Hesse, B.; del Real, A.E.P.; Veronesi, G.; Langlois, J.; Balcar, N.; Vandenberghe, Y.; Sole, V.A.; Kieffer, J.; Barrett, R.; Cohen, C.; Cornu, C.; Baker, R.; Gagliardini, E.; Papillon, E.; Susini, J. doi  openurl
  Title The ID21 X-ray and infrared microscopy beamline at the ESRF: status and recent applications to artistic materials Type A1 Journal article
  Year 2017 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom  
  Volume 32 Issue 3 Pages 477-493  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The ID21 beamline (European Synchrotron Radiation facility, France) is a multi micro-analytical platform combining X-ray and infrared micro-probes, for characterization of elements, species, molecular groups and crystalline structures in complex materials. Applications are mainly in the fields of cultural heritage, life science, environmental and earth sciences, materials sciences. Here, we first present the status of instruments: (i) the scanning micro-spectroscopy end-station, operating from 2.0 to 9.2 keV, under vacuum and offering cryo conditions, for the acquisition of 2D micro X-ray fluorescence (mu XRF) maps, single point micro X-ray Absorption Near Edge Structure (mu XANES) spectra and speciation maps with sub-micrometric resolution; (ii) the XANES full-field end-station, operating in the same vacuum and energy conditions, for the acquisition of hyper-spectral radiographs of thin concentrated samples, resulting in speciation maps with micrometric resolution and millimetric field of view; (iii) the scanning micro-X-ray diffraction (mu XRD)/mu XRF end-station, operating at 8.5 keV, in air, for the acquisition of 2D crystalline phase maps, with micrometric resolution; and (iv) the scanning infrared microscope, operating in the mid-infrared range for the acquisition of molecular maps and some structural maps with micrometric resolution. Recent hardware and software developments are presented, as well as new protocols for improved sample preparation of thin sections. Secondly, a review of recent applications for the study of cultural heritage is presented, illustrated by various examples: determination of the origin of the color in blue Chinese porcelains and in brown Sevres porcelains; detection of lead in ink on Herculaneum papyri; identification and degradation of modeling materials used by Auguste Rodin and of chrome yellow pigments used by Vincent van Gogh. Cryo capabilities are illustrated by the analysis of plants exposed to chromate solutions. These examples show the variety of materials analyzed, of questions tackled, and particularly the multiple advantages of the ID21 analytical platform for the analysis of ancient and artistic materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000396286900002 Publication Date 2016-12-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0267-9477 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.379 Times cited 39 Open Access  
  Notes ; ; Approved Most recent IF: 3.379  
  Call Number UA @ admin @ c:irua:142493 Serial 5874  
Permanent link to this record
 
 
Author Roesler, C.; Dissegna, S.; Rechac, V.L.; Kauer, M.; Guo, P.; Turner, S.; Ollegott, K.; Kobayashi, H.; Yamamoto, T.; Peeters, D.; Wang, Y.; Matsumura, S.; Van Tendeloo, G.; Kitagawa, H.; Muhler, M.; Llabres i Xamena, F.X.; Fischer, R.A. pdf  doi
openurl 
  Title Encapsulation of bimetallic metal nanoparticles into robust zirconium-based metal-organic frameworks : evaluation of the catalytic potential for size-selective hydrogenation Type A1 Journal article
  Year 2017 Publication Chemistry: a European journal Abbreviated Journal Chem-Eur J  
  Volume 23 Issue 15 Pages 3583-3594  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The realization of metal nanoparticles (NPs) with bimetallic character and distinct composition for specific catalytic applications is an intensively studied field. Due to the synergy between metals, most bimetallic particles exhibit unique properties that are hardly provided by the individual monometallic counterparts. However, as small-sized NPs possess high surface energy, agglomeration during catalytic reactions is favored. Sufficient stabilization can be achieved by confinement of NPs in porous support materials. In this sense, metal-organic frameworks (MOFs) in particular have gained a lot of attention during the last years; however, encapsulation of bimetallic species remains challenging. Herein, the exclusive embedding of preformed core-shell PdPt and RuPt NPs into chemically robust Zr-based MOFs is presented. Microstructural characterization manifests partial retention of the core-shell systems after successful encapsulation without harming the crystallinity of the microporous support. The resulting chemically robust NP@UiO-66 materials exhibit enhanced catalytic activity towards the liquid-phase hydrogenation of nitrobenzene, competitive with commercially used Pt on activated carbon, but with superior size-selectivity for sterically varied substrates.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000397502900010 Publication Date 2016-12-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0947-6539 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.317 Times cited 13 Open Access Not_Open_Access  
  Notes ; This work is supported by the Cluster of Excellence RESOLV (EXC 1069) funded by the Deutsche Forschungsgemeinschaft (DFG). ; Approved Most recent IF: 5.317  
  Call Number UA @ lucian @ c:irua:142485 Serial 4653  
Permanent link to this record
 
 
Author Lu, A.K.A.; Houssa, M.; Radu, I.P.; Pourtois, G. pdf  doi
openurl 
  Title Toward an understanding of the electric field-induced electrostatic doping in van der Waals heterostructures : a first-principles study Type A1 Journal article
  Year 2017 Publication ACS applied materials and interfaces Abbreviated Journal Acs Appl Mater Inter  
  Volume 9 Issue 8 Pages 7725-7734  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Since the discovery of graphene, a broad range of two-dimensional (2D) materials has captured the attention of the scientific communities. Materials, such as hexagonal boron nitride (hBN) and the transition metal dichalcogenides (TMDs) family, have shown promising semiconducting and insulating properties that are very appealing for the semiconductor industry. Recently, the possibility of taking advantage of the properties of 2D-based heterostructures has been investigated for low-power nanoelectronic applications. In this work, we aim at evaluating the relation between the nature of the materials used in such heterostructures and the amplitude of the layer-to-layer charge transfer induced by an external electric field, as is typically present in nanoelectronic gated devices. A broad range of combinations of TMDs, graphene, and hBN has been investigated using density functional theory. Our results show that the electric field induced charge transfer strongly depends on the nature of the 2D materials used in the van der Waals heterostructures and to a lesser extent on the relative orientation of the materials in the structure. Our findings contribute to the building of the fundamental understanding required to engineer electrostatically the doping of 2D materials and to establish the factors that drive the charge transfer mechanisms in electron tunneling-based devices. These are key ingredients for the development of 2D -based nanoelectronic devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000395494200119 Publication Date 2017-02-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1944-8244 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.504 Times cited 10 Open Access Not_Open_Access  
  Notes Approved Most recent IF: 7.504  
  Call Number UA @ lucian @ c:irua:142483 Serial 4696  
Permanent link to this record
 
 
Author Zhang, B.; Deschamps, M.; Ammar, M.-R.; Raymundo-Pinero, E.; Hennet, L.; Batuk, D.; Tarascon, J.-M. pdf  doi
openurl 
  Title Laser synthesis of hard carbon for anodes in Na-ion battery Type A1 Journal article
  Year 2017 Publication Advanced Materials Technologies Abbreviated Journal  
  Volume 2 Issue 3 Pages 1600227  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000398999900003 Publication Date 2016-12-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2365-709x ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 10 Open Access Not_Open_Access  
  Notes ; The RS2E (Reseau sur le StockageElectrochimique de l'Energie) network is acknowledged for the financial support of this work through the ANR project Storex (ANR-10-LABX-76-01). J.-M.T acknowledges funding from the European Research Council (ERC) (FP/2014-2020)/ERC GrantProject 670116-ARPEMA. ; Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:142452 Serial 4666  
Permanent link to this record
 
 
Author Abeysinghe, D.; Smith, M.D.; Yeon, J.; Tran, T.T.; Sena, R.P.; Hadermann, J.; Halasyamani, P.S.; zur Loye, H.-C. pdf  doi
openurl 
  Title Crystal growth and structure analysis of Ce-18-W-10-O-57 : a complex oxide containing tungsten in an unusual trigonal prismatic coordination environment Type A1 Journal article
  Year 2017 Publication Inorganic chemistry Abbreviated Journal Inorg Chem  
  Volume 56 Issue 5 Pages 2566-2575  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The noncentrosymmetric tungstate oxide, Ce18W10O57) was synthesized for the first time as high-quality single crystals via the molten chloride flux method and structurally characterized by single-crystal X-ray diffraction. The compound is a structural analogue to the previously reported La18W10O57, which crystallizes in the hexagonal space group P (6) over bar 2c. The +3 oxidation state of cerium in Ce18W10O57 was achieved via the in situ reduction of Ce(IV) to Ce(III) using Zn metal. The structure consists of both isolated and face-shared WO6 octahedra and, surprisingly, isolated WO6 trigonal prisms. A careful analysis of the packing arrangement in the structure makes it possible to explain the unusual structural architecture of Ce18W10O57, which is described in detail. The temperature-dependent magnetic susceptibility of Ce18W10O57 indicates that the cerium(III) f(1) cations do not order magnetically and exhibit simple paramagnetic behavior. The SHG efficiency of Ln(18)W(10)O(57) (Ln = La, Ce) was measured as a function of particle size, and both compounds were found to be SHG active with efficiency approximately equal to that of alpha-SiO2.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Easton, Pa Editor  
  Language Wos 000395847300026 Publication Date 2017-02-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-1669 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.857 Times cited 9 Open Access Not_Open_Access  
  Notes ; Financial support for this work was provided by the National Science Foundation under DMR-1301757 and is gratefully acknowledged. T.T.T. and P.S.H. thank the Welch Foundation (Grant E-1457) and NSF-DMR-1503573. ; Approved Most recent IF: 4.857  
  Call Number UA @ lucian @ c:irua:142449 Serial 4643  
Permanent link to this record
 
 
Author Peelaers, H.; Durgun, E.; Partoens, B.; Bilc, D.I.; Ghosez, P.; Van de Walle, C.G.; Peeters, F.M. pdf  doi
openurl 
  Title Ab initio study of hydrogenic effective mass impurities in Si nanowires Type A1 Journal article
  Year 2017 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 29 Issue 29 Pages 095303  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The effect of B and P dopants on the band structure of Si nanowires is studied using electronic structure calculations based on density functional theory. At low concentrations a dispersionless band is formed, clearly distinguishable from the valence and conduction bands. Although this band is evidently induced by the dopant impurity, it turns out to have purely Si character. These results can be rigorously analyzed in the framework of effective mass theory. In the process we resolve some common misconceptions about the physics of hydrogenic shallow impurities, which can be more clearly elucidated in the case of nanowires than would be possible for bulk Si. We also show the importance of correctly describing the effect of dielectric confinement, which is not included in traditional electronic structure calculations, by comparing the obtained results with those of G(0)W(0) calculations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000395103900002 Publication Date 2017-01-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links (down) 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), the NSF MRSEC Program under award No. DMR11-21053, and the Army Research Office (W911NF-13-1-0380). DIB acknowledges financial support from the grant of the Romanian National Authority for Scientific Research, CNCS UEFISCDI, project No. PN-II-RU-TE-2011-3-0085. Ph G acknowledges a research professorship of the Francqui foundation and financial support of the ARC project AIMED and FNRS project HiT4FiT. This research used resources of the Ceci HPC Center funded by F R S-FNRS (Grant No. 2.5020.1) and of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231. ; Approved Most recent IF: 2.649  
  Call Number UA @ lucian @ c:irua:142447 Serial 4584  
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Author Kurttepeli, M.; Deng, S.; Mattelaer, F.; Cott, D.J.; Vereecken, P.; Dendooven, J.; Detavernier, C.; Bals, S. url  doi
openurl 
  Title Heterogeneous TiO2/V2O5/Carbon Nanotube Electrodes for Lithium-Ion Batteries Type A1 Journal article
  Year 2017 Publication ACS applied materials and interfaces Abbreviated Journal Acs Appl Mater Inter  
  Volume 9 Issue 9 Pages 8055-8064  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Vanadium pentoxide (V2O5) is proposed and investigated as a cathode material for lithium-ion (Li-ion) batteries. However, the dissolution of V2O5 during the charge/discharge remains as an issue at the V2O5–electrolyte interface. In this work, we present a heterogeneous nanostructure with carbon nanotubes supported V2O5/titanium dioxide (TiO2) multilayers as electrodes for thin-film Li-ion batteries. Atomic layer deposition of V2O5 on carbon nanotubes provides enhanced Li storage capacity and high rate performance. An additional TiO2 layer leads to increased morphological stability and in return higher electrochemical cycling performance of V2O5/carbon nanotubes. The physical and chemical properties of TiO2/V2O5/carbon nanotubes are characterized by cyclic voltammetry and charge/discharge measurements as well as electron microscopy. The detailed mechanism of the protective TiO2 layer to improve the electrochemical cycling stability of the V2O5 is unveiled.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000396186000021 Publication Date 2017-03-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1944-8244 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.504 Times cited 28 Open Access OpenAccess  
  Notes European Research Council, 239865 335078 ; Fonds Wetenschappelijk Onderzoek; Agentschap voor Innovatie door Wetenschap en Technologie, 18142 ; Bijzonder Onderzoeksfonds, GOA – 01G01513 ; This research was funded by the Flemish research foundation FWO-Vlaanderen, by the European Research Council (Starting Grant No. 239865 and No. 335078), by IWT-Flanders (SBO project IWT 18142 “SoS-Lion”) and by the Special Research Fund BOF of Ghent University (GOA – 01G01513); colouratoms (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ECAS_Sara Approved Most recent IF: 7.504  
  Call Number EMAT @ emat @ c:irua:142446UA @ admin @ c:irua:142446 Serial 4572  
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Author Michel, K.H.; Çakir, D.; Sevik, C.; Peeters, F.M. url  doi
openurl 
  Title Piezoelectricity in two-dimensional materials : comparative study between lattice dynamics and ab initio calculations Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 95 Issue 95 Pages 125415  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The elastic constant C-11 and piezoelectric stress constant e(1),(11) of two-dimensional (2D) dielectric materials comprising h-BN, 2H-MoS2, and other transition-metal dichalcogenides and dioxides are calculated using lattice dynamical theory. The results are compared with corresponding quantities obtained with ab initio calculations. We identify the difference between clamped-ion and relaxed-ion contributions with the dependence on inner strains which are due to the relative displacements of the ions in the unit cell. Lattice dynamics allows us to express the inner-strain contributions in terms of microscopic quantities such as effective ionic charges and optoacoustical couplings, which allows us to clarify differences in the piezoelectric behavior between h-BN and MoS2. Trends in the different microscopic quantities as functions of atomic composition are discussed.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000396013400005 Publication Date 2017-03-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 29 Open Access  
  Notes ; The authors acknowledge useful discussions with L. Wirtz and A. Molina-Sanchez. This work was supported by the Methusalem program and the Fonds voor Wetenschappelijk Onderzoek-Vlaanderen. Computational resources were provided by HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:142444 Serial 4603  
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Author Han, F.W.; Xu, W.; Li, L.L.; Zhang, C.; Dong, H.M.; Peeters, F.M. url  doi
openurl 
  Title Electronic and transport properties of n-type monolayer black phosphorus at low temperatures Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 95 Issue 95 Pages 115436  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We present a detailed theoretical study of the electronic and transport properties of monolayer black phosphorus (BP). This study is motivated by recent experimental activities in investigating n-type few-layer BP systems. The electron density of states, the screening length, and the low-temperature electron mobility are calculated for monolayer BP (MLBP). In particular, the electron transport mobilities along the armchair and zigzag directions are examined on the basis of the momentum-balance equation derived from a semiclassical Boltzmann equation. The anisotropic electron mobilities in MLBP along different directions are demonstrated where the electron-impurity scattering is considered. Furthermore, we compare the results obtained from two electronic band structures of MLBP and find that the simplified model can describe quite rightly the electronic and transport properties of MLBP. This study is relevant to the application of few-layer BP based electronic systems as advanced electronic devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000399140700012 Publication Date 2017-03-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 12 Open Access  
  Notes National Natural Science Foundation of China, 11574319 11304316 11304317 11604380 ; Ministry of Science and Technology of the People's Republic of China, 2011YQ130018 ; Chinese Academy of Sciences; Approved Most recent IF: 3.836  
  Call Number CMT @ cmt @ c:irua:142431 Serial 4564  
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