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Author Verreck, D.; Verhulst, A.S.; Van de Put, M.; Sorée, B.; Magnus, W.; Mocuta, A.; Collaert, N.; Thean, A.; Groeseneken, G. doi  openurl
  Title Full-zone spectral envelope function formalism for the optimization of line and point tunnel field-effect transistors Type A1 Journal article
  Year 2015 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 118 Issue 118 Pages 134502  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Efficient quantum mechanical simulation of tunnel field-effect transistors (TFETs) is indispensable to allow for an optimal configuration identification. We therefore present a full-zone 15-band quantum mechanical solver based on the envelope function formalism and employing a spectral method to reduce computational complexity and handle spurious solutions. We demonstrate the versatility of the solver by simulating a 40 nm wide In0.53Ga0.47As lineTFET and comparing it to p-n-i-n configurations with various pocket and body thicknesses. We find that the lineTFET performance is not degraded compared to semi-classical simulations. Furthermore, we show that a suitably optimized p-n-i-n TFET can obtain similar performance to the lineTFET. (C) 2015 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000362668400025 Publication Date 2015-10-01  
  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 (up) 9 Open Access  
  Notes ; D. Verreck acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). This work was supported by imec's Industrial Affiliation Program. ; Approved Most recent IF: 2.068; 2015 IF: 2.183  
  Call Number UA @ lucian @ c:irua:128765 Serial 4183  
Permanent link to this record
 

 
Author Croitoru, M.D.; Shanenko, A.A.; Vagov, A.; Milošević, M.V.; Axt, V.M.; Peeters, F.M. url  doi
openurl 
  Title Phonon limited superconducting correlations in metallic nanograins Type A1 Journal article
  Year 2015 Publication Scientific reports Abbreviated Journal Sci Rep-Uk  
  Volume 5 Issue 5 Pages 16515  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Conventional superconductivity is inevitably suppressed in ultra-small metallic grains for characteristic sizes smaller than the Anderson limit. Experiments have shown that above the Anderson limit the critical temperature may be either enhanced or reduced when decreasing the particle size, depending on the superconducting material. In addition, there is experimental evidence that whether an enhancement or a reduction is found depends on the strength of the electronphonon interaction in the bulk. We reveal how the strength of the e-ph interaction interplays with the quantum-size effect and theoretically obtain the critical temperature of the superconducting nanograins in excellent agreement with experimental data. We demonstrate that strong e-ph scattering smears the peak structure in the electronic density-of-states of a metallic grain and enhances the electron mass, and thereby limits the highest T-c achievable by quantum confinement.  
  Address  
  Corporate Author Thesis  
  Publisher Nature Publishing Group Place of Publication London Editor  
  Language Wos 000364647700001 Publication Date 2015-11-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2045-2322 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.259 Times cited (up) 9 Open Access  
  Notes ; This work was supported by the Belgian Science Policy (BELSPO Back to Belgium Grant), the Research Foundation Flanders (FWO), the Methusalem Foundation of the Flemish Government, TOPBOF-UA, and the bilateral project CNPq-FWO. M.D.C. acknowledges fruitful discussions with V. Z. Kresin, S. N. Klimin and V. N. Gladilin. ; Approved Most recent IF: 4.259; 2015 IF: 5.578  
  Call Number UA @ lucian @ c:irua:129543 Serial 4224  
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Author Retuerto, M.; Skiadopoulou, S.; Li, M.R.; Abakumov, A.M.; Croft, M.; Ignatov, A.; Sarkar, T.; Abbett, B.M.; Pokorný, J.; Savinov, M.; Nuzhnyy, D.; Prokleška, J.; Abeykoon, M.; Stephens, P.W.; Hodges, J.P.; Vaněk, P.; Fennie, C.J.; Rabe, K.M.; Kamba, S.; Greenblatt, M.; pdf  doi
openurl 
  Title Pb2MnTeO6 double perovskite : an antipolar anti-ferromagnet Type A1 Journal article
  Year 2016 Publication Inorganic chemistry Abbreviated Journal Inorg Chem  
  Volume 55 Issue 55 Pages 4320-4329  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Pb2MnTeO6, a new double perovskite, was synthesized. Its crystal structure was determined by synchrotron X-ray and powder neutron diffraction. Pb2MnTeO6 is monoclinic (I2/m) at room temperature with a regular arrangement of all the cations in their polyhedra. However, when the temperature is lowered to similar to 120 K it undergoes a phase transition from I2/m to C2/c structure. This transition is accompanied by a displacement of the Pb atoms from the center of their polyhedra due to the 6s2 lone-pair electrons, together with a surprising off-centering of Mn2+ (d5) magnetic cations. This strong first-order phase transition is also evidenced by specific heat, dielectric, Raman, and infrared spectroscopy measurements. The magnetic characterizations indicate an anti-ferromagnetic (AFM) order below TN approximate to 20 K; analysis of powder neutron diffraction data confirms the magnetic structure with propagation vector k = (0 1 0) and collinear AFM spins. The observed jump in dielectric permittivity near similar to 150 K implies possible anti-ferroelectric behavior; however, the absence of switching suggests that Pb2MnTeO6 can only be antipolar. First-principle calculations confirmed that the crystal and magnetic structures determined are locally stable and that anti-ferroelectric switching is unlikely to be observed in Pb2MnTeO6.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Easton, Pa Editor  
  Language Wos 000375519700027 Publication Date 2016-04-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.857 Times cited (up) 9 Open Access  
  Notes Approved Most recent IF: 4.857  
  Call Number UA @ lucian @ c:irua:134219 Serial 4258  
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Author Aghaei, M.; Lindner, H.; Bogaerts, A. pdf  url
doi  openurl
  Title Ion Clouds in the Inductively Coupled Plasma Torch: A Closer Look through Computations Type A1 Journal article
  Year 2016 Publication Analytical chemistry Abbreviated Journal Anal Chem  
  Volume 88 Issue 88 Pages 8005-8018  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract We have computationally investigated the introduction of copper elemental particles in an inductively coupled plasma torch connected to a sampling cone, including for the first time the ionization of the sample. The sample is inserted as liquid particles, which are followed inside the entire torch, i.e., from the injector inlet up to the ionization and reaching the sampler. The spatial position of the ion clouds inside the torch as well as detailed information on the copper species fluxes at the position of the sampler orifice and the exhausts of the torch are provided. The effect of on- and off-axis injection is studied. We clearly show that the ion clouds of on-axis injected material are located closer to the sampler with less radial diffusion. This guarantees a higher transport efficiency through the sampler cone. Moreover, our model reveals the optimum ranges of applied power and flow rates, which ensure the proper position of ion clouds inside the torch, i.e., close enough to the sampler to increase the fraction that can enter the mass spectrometer and with minimum loss of material toward the exhausts as well as a sufficiently high plasma temperature for efficient ionization.  
  Address Research Group PLASMANT, Chemistry Department, University of Antwerp , Universiteitsplein 1, 2610 Antwerp, Belgium  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language English Wos 000381654800020 Publication Date 2016-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited (up) 9 Open Access  
  Notes The authors gratefully acknowledge financial support from the Fonds voor Wetenschappelijk Onderzoek (FWO), Grant Number 6713. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the UA. Approved Most recent IF: 6.32  
  Call Number PLASMANT @ plasmant @ c:irua:135644 Serial 4293  
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Author Schalm, O.; Crabbé, A.; Storme, P.; Wiesinger, R.; Gambirasi, A.; Grieten, E.; Tack, P.; Bauters, S.; Kleber, C.; Favaro, M.; Schryvers, D.; Vincze, L.; Terryn, H.; Patelli, A. pdf  url
doi  openurl
  Title The corrosion process of sterling silver exposed to a Na2S solution: monitoring and characterizing the complex surface evolution using a multi-analytical approach Type A1 Journal article
  Year 2016 Publication Applied Physics A-Materials Science & Processing Abbreviated Journal Appl Phys A-Mater  
  Volume 122 Issue 122 Pages 903  
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);  
  Abstract Many historical ‘silver’ objects are composed of sterling silver, a silver alloy containing small amounts of copper. Besides the dramatic impact of copper on the corrosion process, the chemical composition of the corrosion layer evolves continuously. The evolution of the surface during the exposure to a Na2S solution was monitored by means of visual observation at macroscopic level, chemical analysis at microscopic level and analysis at the nanoscopic level. The corrosion process starts with the preferential oxidation of copper, forming mixtures of oxides and sulphides while voids are being created beneath the corrosion layer. Only at a later stage, the silver below the corrosion layer is consumed. This results in the formation of jalpaite and at a later stage of acanthite. The acanthite is found inside the corrosion layer at the boundaries of jalpaite grains and as individual grains between the jalpaite grains but also as a thin film on top of the corrosion layer. The corrosion process could be described as a sequence of 5 subsequent surface states with transitions between these states.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000384753800033 Publication Date 2016-09-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0947-8396 ISBN Additional Links  
  Impact Factor 1.455 Times cited (up) 9 Open Access  
  Notes The authors are grateful for the financial support by the EU-FP7 Grant PANNA No. 282998 and for the opportunity to perform SR-XPS measurements at the NanoESCA beamline of the Elettra storage ring, under the approval of the advisory Committee (Proposal No. 20135164), as well as the opportunity to perform XANES measurements at the DUBBLE beamline of the ESRF storage ring (Proposal No. 26-01-990). The authors are grateful for the financial support by the STIMPRO Project FFB150215 of the University of Antwerp. Pieter Tack is funded by a Ph.D. Grant of the Agency for Innovation by Science and Technology (IWT). We would also like to thank Peter Van den Haute for the XRD measurements that were performed at the University of Ghent. Approved Most recent IF: 1.455  
  Call Number EMAT @ emat @ Serial 4331  
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Author Li, K.; Idrissi, H.; Sha, G.; Song, M.; Lu, J.; Shi, H.; Wang, W.; Ringer, S.P.; Du, Y.; Schryvers, D. pdf  url
doi  openurl
  Title Quantitative measurement for the microstructural parameters of nano-precipitates in Al-Mg-Si-Cu alloys Type A1 Journal article
  Year 2016 Publication Materials characterization Abbreviated Journal Mater Charact  
  Volume 118 Issue 118 Pages 352-362  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Size, number density and volume fraction of nano-precipitates are important microstructural parameters controlling the strengthening of materials. In this work a widely accessible, convenient, moderately time efficient method with acceptable accuracy and precision has been provided for measurement of volume fraction of nano-precipitates in crystalline materials. The method is based on the traditional but highly accurate technique of measuring foil thickness via convergent beam electron diffraction. A new equation is proposed and verified with the aid of 3-dimensional atom probe (3DAP) analysis, to compensate for the additional error resulted from the hardly distinguishable contrast of too short incomplete precipitates cut by the foil surface. The method can be performed on a regular foil specimen with a modem LaB6 or field-emission-gun transmission electron microscope. Precisions around +/- 16% have been obtained for precipitate volume fractions of needle-like beta ''/C and Q precipitates in an aged Al-Mg-Si-Cu alloy. The measured number density is dose to that directly obtained using 3DAP analysis by a misfit of 45%, and the estimated precision for number density measurement is about +/- 11%. The limitations of the method are also discussed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000383292000042 Publication Date 2016-06-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1044-5803 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.714 Times cited (up) 9 Open Access  
  Notes This work is financially supported by National Natural Science Foundation of China (51501230 and 51531009) and Postdoctoral Science Foundation of Central South University (502042057). H.I. acknowledges the IAP program of the Belgian State Federal Office for Scientific, Technical and Cultural Affairs under Contract No. P7/21 and FWO project G.0576.09N. Approved Most recent IF: 2.714  
  Call Number EMAT @ emat @ c:irua:137171 Serial 4334  
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Author Mirzakhani, M.; Zarenia, M.; da Costa, D.R.; Ketabi, S.A.; Peeters, F.M. url  doi
openurl 
  Title Energy levels of ABC-stacked trilayer graphene quantum dots with infinite-mass boundary conditions Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 94 Issue 94 Pages 165423  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using the continuum model, we investigate the confined states and the corresponding wave functions of ABC-stacked trilayer graphene (TLG) quantum dots (QDs). First, a general infinite-mass boundary condition is derived and applied to calculate the electron and hole energy levels of a circular QD in both the absence and presence of a perpendicular magnetic field. Our analytical results for the energy spectra agree with those obtained by using the tight-binding model, where a TLG QD is surrounded by a staggered potential. Our findings show that (i) the energy spectrum exhibits intervalley symmetry E-K(e)(m) = -E-K'(h)(m) for the electron (e) and hole (h) states, where m is the angular momentum quantum number, (ii) the zero-energy Landau level (LL) is formed by the magnetic states with m <= 0 for both Dirac valleys, that is different from monolayer and bilayer graphene QD with infinite-mass potential in which only one of the cones contributes, and (iii) groups of three quantum Hall edge states in the tight-binding magnetic spectrum approach the zero LL, which results from the layer symmetry in TLG QDs.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000386168000011 Publication Date 2016-10-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited (up) 9 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Brazilian Council for Research (CNPq), the Science without Borders program, PRONEX/FUNCAP, and CAPES foundation. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:138174 Serial 4353  
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Author Covaci, L.; Berciu, M. doi  openurl
  Title Holstein polaron: The effect of coupling to multiple-phonon modes Type A1 Journal article
  Year 2007 Publication Epl Abbreviated Journal Epl-Europhys Lett  
  Volume 80 Issue 6 Pages 67001  
  Keywords A1 Journal article  
  Abstract We investigate the effects of coupling to multiple-phonon modes on the properties of a Holstein polaron. To this end, we generalize the Momentum Average approximations MA((0)) and MA((1)) to deal with multiple-phonon modes. As for a single-phonon mode, these approximations are found to be numerically very efficient. They become exact for very weak or very strong couplings, and are highly accurate in the intermediate regimes, e.g. the spectral weights obey exactly the first six, respectively eight, sum rules. Our results show that the effect on ground-state properties is cumulative in nature. As a result, if the effective coupling to one mode is much larger than to all the others, this mode effectively determines the ground-state properties. However, even very weak coupling to a second phonon mode has important non-perturbational effects on the higher-energy spectrum, in particular on the dispersion and the phonon statistics of the polaron band. This has important consequences on the analysis and interpretation of data for real materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000251648300016 Publication Date 2007-11-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0295-5075 ISBN Additional Links  
  Impact Factor 1.957 Times cited (up) 9 Open Access  
  Notes Approved Most recent IF: 1.957; 2007 IF: 2.206  
  Call Number UA @ lucian @ Serial 4431  
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Author Bleiner, D.; Macri, M.; Gasser, P.; Sautter, V.; Maras, A. pdf  doi
openurl 
  Title FIB, TEM and LA-ICPMS investigations on melt inclusions in Martian meteorites – Analytical capabilities and geochemical insights Type A1 Journal article
  Year 2006 Publication Talanta : the international journal of pure and applied analytical chemistry Abbreviated Journal Talanta  
  Volume Issue Pages  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In order to obtain full information coverage on melt inclusions in Martian meteorites (subgroup nakhlites) complementary micro-analytical techniques were used, i.e. focused ion beam, transmission electron microscopy and laser ablation. Using focused ion beam several lamellae for transmission electron microscopy were prepared and secondary electron images of cross-sections could be acquired. Laser ablation-inductively coupled plasma mass spectrometry analyses were performed on selected inclusions to obtain mass-oriented bulk composition of inclusions at depth. The differences in composition between melt inclusions in olivine and augite crystals would suggest a xenocrystic origin for olivine. Furthermore, electron diffraction patterns clearly indicated that the SiO2-rich phase in inclusions from augite in meteorites from Northwest Africa site is re-crystallized, whereas it is still vitreous in the inclusions from Nakhla sampling site. Therefore, different post-entrapment evolutions were active for the two nakhlite meteorite sets, the Nakhla and the NWA817 set. Melt inclusions in Nakhla olivine presented alteration veins, which were presumably produced before their landing on Earth. If this is the case, this would indicate a alteration stage already on Mars with all the consequence in terms of climate history. Melt inclusions in Nakhla augite resulted unaffected by any alteration or modification following the entrapment, and therefore represent the best candidate to indicate the pristine magma composition. (c) 2005 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Pergamon Place of Publication Oxford Editor  
  Language Wos 000235509900028 Publication Date 2005-09-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0039-9140; 1873-3573 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.162 Times cited (up) 9 Open Access  
  Notes Approved Most recent IF: 4.162; 2006 IF: 2.810  
  Call Number UA @ lucian @ c:irua:95092 Serial 4519  
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Author Hafiz, H.; Suzuki, K.; Barbiellini, B.; Orikasa, Y.; Callewaert, V.; Kaprzyk, S.; Itou, M.; Yamamoto, K.; Yamada, R.; Uchimoto, Y.; Sakurai, Y.; Sakurai, H.; Bansil, A. url  doi
openurl 
  Title Visualizing redox orbitals and their potentials in advanced lithium-ion battery materials using high-resolution x-ray Compton scattering Type A1 Journal article
  Year 2017 Publication Science Advances Abbreviated Journal Sci. Adv.  
  Volume 3 Issue 8 Pages e1700971  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Reduction-oxidation (redox) reactions are the key processes that underlie the batteries powering smartphones, laptops, and electric cars. A redox process involves transfer of electrons between two species. For example, in a lithium-ion battery, current is generated when conduction electrons from the lithium anode are transferred to the redox orbitals of the cathode material. The ability to visualize or image the redox orbitals and how these orbitals evolve under lithiation and delithiation processes is thus of great fundamental and practical interest for understanding the workings of battery materials. We show that inelastic scattering spectroscopy using high-energy x-ray photons (Compton scattering) can yield faithful momentum space images of the redox orbitals by considering lithium iron phosphate (LiFePO4 or LFP) as an exemplar cathode battery material. Our analysis reveals a new link between voltage and the localization of transition metal 3d orbitals and provides insight into the puzzling mechanism of potential shift and how it is connected to the modification of the bond between the transition metal and oxygen atoms. Our study thus opens a novel spectroscopic pathway for improving the performance of battery materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000411589900055 Publication Date 2017-08-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2375-2548 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited (up) 9 Open Access  
  Notes The work at Northeastern University was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (grant no. DE-FG02-07ER46352) and benefited from the Northeastern University’s Advanced Scientific Computation Center and the National Energy Research Scientific Computing Center supercomputing center through DOE grant no. DEAC02-05CH11231. The work at Gunma University, Japan Synchrotron Radiation Research Institute (JASRI), and Kyoto University was supported by the Japan Science and Technology Agency. K.S. was supported by Grant-in-Aid for Young Scientists (B) from MEXT KAKENHI under grant nos. 24750065 and 15K17873. The Compton scattering experiments were performed with the approval of JASRI (proposal no. 2014A1289). V.C. was supported by the FWO-Vlaanderen through project no. G. 1161 0224.14N. Approved Most recent IF: NA  
  Call Number CMT @ cmt @c:irua:145034 Serial 4637  
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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 UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.857 Times cited (up) 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  
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Author Longo, R.; Ferrarotti, M.; Garcia Sánchez, C.; Derudi, M.; Parente, A. pdf  doi
openurl 
  Title Advanced turbulence models and boundary conditions for flows around different configurations of ground-mounted buildings Type A1 Journal article
  Year 2017 Publication Journal of wind engineering and industrial aerodynamics Abbreviated Journal J Wind Eng Ind Aerod  
  Volume 167 Issue Pages 160-182  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract When dealing with Atmospheric Boundary Layer (ABL) simulations, commercial computational fluid dynamics (CFD) acquires a strategic resonance. Thanks to its good compromise between accuracy of results and calculation time, RANS still represents a valid alternative to more resource-demanding methods. However, focusing on the models' performances in urban studies, LES generally outmatches RANS results, even if the former is at least one order of magnitude more expensive. Consequently, the present work aims to propose a variety of approaches meant to solve some of the major problems linked to RANS simulations and to further improve its accuracy in typical urban contexts. All of these models are capable of switching from an undisturbed flux formulation to a disturbed one through a local deviation or a marker function. For undisturbed flows, a comprehensive approach is adopted, solving the issue of the erroneous stream-wise gradients affecting the turbulent profiles. Around obstacles, Non-Linear Eddy-Viscosity closures are adopted, due to their prominent capability in capturing the anisotropy of turbulence. The purpose of this work is then to propose a new Building Influence Area concept and to offer more affordable alternatives to LES simulations without sacrificing a good grade of accuracy.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000405766600013 Publication Date 2017-05-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0167-6105 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.049 Times cited (up) 9 Open Access Not_Open_Access  
  Notes ; ; Approved Most recent IF: 2.049  
  Call Number UA @ lucian @ c:irua:145191 Serial 4713  
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Author Ulu Okudur, F.; D'Haen, J.; Vranken, T.; De Sloovere, D.; Verheijen, M.; Karakulina, O.M.; Abakumov, A.M.; Hadermann, J.; Van Bael, M.K.; Hardy, A. pdf  url
doi  openurl
  Title Ti surface doping of LiNi0.5Mn1.5O4−δpositive electrodes for lithium ion batteries Type A1 Journal article
  Year 2018 Publication RSC advances Abbreviated Journal Rsc Adv  
  Volume 8 Issue 13 Pages 7287-7300  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The particle surface of LiNi0.5Mn1.5O4−δ (LNMO), a Li-ion battery cathode material, has been modified by Ti cation doping through a hydrolysis–condensation reaction followed by annealing in oxygen. The effect of different annealing temperatures (500–850 °C) on the Ti distribution and electrochemical performance of the surface modified LNMO was investigated. Ti cations diffuse from the preformed amorphous ‘TiOx’ layer into the LNMO surface during annealing at 500 °C. This results in a 2–4 nm thick Ti-rich spinel surface having lower Mn and Ni content compared to the core of the LNMO particles, which was observed with scanning transmission electron microscopy coupled with compositional EDX mapping. An increase in the annealing temperature promotes the formation of a Ti bulk doped LiNi(0.5−w)Mn(1.5+w)−tTitO4 phase and Ti-rich LiNi0.5Mn1.5−yTiyO4 segregates above 750 °C. Fourier-transform infrared spectrometry indicates increasing Ni–Mn ordering with annealing temperature, for both bare and surface modified LNMO. Ti surface modified LNMO annealed at 500 °C shows a superior cyclic stability, coulombic efficiency and rate performance compared to bare LNMO annealed at 500 °C when cycled at 3.4–4.9 V vs. Li/Li+. The improvements are probably due to suppressed Ni and Mn dissolution with Ti surface doping.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000425508900064 Publication Date 2018-02-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2046-2069 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.108 Times cited (up) 9 Open Access OpenAccess  
  Notes This research is supported by the Research Foundation Flanders (FWO Vlaanderen, grant number G040116N). This project receives the support of the European Union, the European Regional Development Fund ERDF, Flanders Innovation & Entrepreneurship and the Province of Limburg (project 936). Greet Cuyvers and Gilles Bonneux (UHasselt) are acknowledged for the ICP-AES sample preparation and measurements. Vera Meynen and Karen Leyssens (Antwerp University, Belgium) are acknowledged for the BET measurements. Special thanks to Bart Ruttens (UHasselt) for XRD measurements and discussions on the refinements. Approved Most recent IF: 3.108  
  Call Number EMAT @ emat @c:irua:149513 Serial 4905  
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Author Razzokov, J.; Yusupov, M.; Vanuytsel, S.; Neyts, E.C.; Bogaerts, A. pdf  url
doi  openurl
  Title Phosphatidylserine flip-flop induced by oxidation of the plasma membrane: a better insight by atomic scale modeling Type A1 Journal article
  Year 2017 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym  
  Volume 14 Issue 10 Pages 1700013  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract We perform molecular dynamics simulations to study the flip-flop motion of phosphatidylserine (PS) across the plasma membrane upon increasing oxidation degree of the membrane. Our computational results show that an increase of the oxidation degree in the lipids leads to a decrease of the free energy barrier for translocation of PS through the membrane. In other words, oxidation of the lipids facilitates PS flip-flop motion across the membrane, because in native phospholipid bilayers this is only a “rare event” due to the high energy barriers for the translocation of PS. The present study provides an atomic-scale insight into the mechanisms of the PS flip-flop upon oxidation of lipids, as produced for example by cold atmospheric plasma, in living cells.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000413045800010 Publication Date 2017-04-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1612-8850 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.846 Times cited (up) 9 Open Access Not_Open_Access  
  Notes Fonds Wetenschappelijk Onderzoek, 1200216N ; Approved Most recent IF: 2.846  
  Call Number PLASMANT @ plasmant @c:irua:149567 Serial 4910  
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Author Song, H.-D.; Wu, Y.-F.; Yang, X.; Ren, Z.; Ke, X.; Kurttepeli, M.; Tendeloo, G.V.; Liu, D.; Wu, H.-C.; Yan, B.; Wu, X.; Duan, C.-G.; Han, G.; Liao, Z.-M.; Yu, D. pdf  doi
openurl 
  Title Asymmetric Modulation on Exchange Field in a Graphene/BiFeO3Heterostructure by External Magnetic Field Type A1 Journal article
  Year 2018 Publication Nano letters Abbreviated Journal Nano Lett  
  Volume 18 Issue 4 Pages 2435-2441  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Graphene, having all atoms on its surface, is favorable to extend the functions by introducing the spin–orbit coupling and magnetism through proximity effect. Here, we report the tunable interfacial exchange field produced by proximity coupling in graphene/BiFeO3 heterostructures. The exchange field has a notable dependence with external magnetic field, and it is much larger under negative magnetic field than that under positive magnetic field. For negative external magnetic field, interfacial exchange coupling gives rise to evident spin splitting for N ≠ 0 Landau levels and a quantum Hall metal state for N = 0 Landau level. Our findings suggest graphene/BiFeO3 heterostructures are promising for spintronics.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000430155900034 Publication Date 2018-04-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.712 Times cited (up) 9 Open Access Not_Open_Access  
  Notes This work was supported by National Key Research and Development Program of China (No. 2016YFA0300802) and NSFC (Nos. 11774004 and 11604004). Ministry of Science and Technology of the People's Republic of China, 2016YFA0300802 ; National Natural Science Foundation of China, 11604004 11774004 ; Approved Most recent IF: 12.712  
  Call Number EMAT @ lucian @c:irua:150794 Serial 4923  
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Author Ben Dkhil, S.; Pfannmöller, M.; Schroeder, R.R.; Alkarsifi, R.; Gaceur, M.; Koentges, W.; Heidari, H.; Bals, S.; Margeat, O.; Ackermann, J.; Videlot-Ackermann, C. url  doi
openurl 
  Title Interplay of interfacial layers and blend composition to reduce thermal degradation of polymer solar cells at high temperature Type A1 Journal article
  Year 2018 Publication ACS applied materials and interfaces Abbreviated Journal Acs Appl Mater Inter  
  Volume 10 Issue 10 Pages 3874-3884  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The thermal stability of printed polymer solar cells at elevated temperatures needs to be improved to achieve high-throughput fabrication including annealing steps as well as long-term stability. During device processing, thermal annealing impacts both the organic photoactive layer, and the two interfacial layers make detailed studies of degradation mechanism delicate. A recently identified thermally stable poly[[4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b'-dithiopherie-2,6-diyl] [3-fluoro-2-[(2-ethylhexyl) carbonyl] thieno [3,4-b]thiophenediyl]] : [6,6]-phenyl- C-71-butyric acid methyl ester (PTB7:PC70BM) blend as photoactive layer in combination with poly(3,4-ethylenedioxythiophene) polystyrene sulfonate as hole extraction layer is used here to focus on the impact of electron extraction layer (EEL) on the thermal stability of solar cells. Solar cells processed with densely packed ZnO nanoparticle layers still show 92% of the initial efficiency after constant annealing during 1 day at 140 degrees C, whereas partially covering ZnO layers as well as an evaporated calcium layer leads to performance losses of up to 30%. This demonstrates that the nature and morphology of EELs highly influence the thermal stability of the device. We extend our study to thermally unstable PTB7:[6,6]-phenyl-C-61-butyric acid methyl ester (PC60BM) blends to highlight the impact of ZnO on the device degradation during annealing. Importantly, only 12% loss in photocurrent density is observed after annealing at 140 degrees C during 1 day when using closely packed ZnO. This is in stark contrast to literature and addressed here to the use of a stable double-sided confinement during thermal annealing. The underlying mechanism of the inhibition of photocurrent losses is revealed by electron microscopy imaging and spatially resolved spectroscopy. We found that the double-sided confinement suppresses extensive fullerene diffusion during the annealing step, but with still an increase in size and distance of the enriched donor and acceptor domains inside the photoactive layer by an average factor of 5. The later result in combination with comparably small photocurrent density losses indicates the existence of an efficient transport of minority charge carriers inside the donor and acceptor enriched phases in PTB7:PC60BM blends.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000424728800082 Publication Date 2018-01-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1944-8244 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.504 Times cited (up) 9 Open Access OpenAccess  
  Notes ; We acknowledge the 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-contract number: 287594). M.P. and R.R.S. acknowledge support by the HeiKA (Heidelberg Karlsruhe Research Partnership) FunTech-3D materials science program. ; Approved Most recent IF: 7.504  
  Call Number UA @ lucian @ c:irua:149309UA @ admin @ c:irua:149309 Serial 4939  
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Author Wang, W.; Van Duppen, B.; Van der Donck, M.; Peeters, F.M. url  doi
openurl 
  Title Magnetopolaron effect on shallow-impurity states in the presence of magnetic and intense terahertz laser fields in the Faraday configuration Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 97 Issue 6 Pages 064108  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The magnetopolaron effect on shallow-impurity states in semiconductors is investigated when subjected simultaneously to a magnetic field and an intense terahertz laser field within the Faraday configuration. We use a time-dependent nonperturbative theory to describe electron interactions. The externally applied fields are exactly included via a laser-dressed interaction potential. Through a variational approach we evaluate the binding energy of the shallow-impurity states. We find that the interaction strength of the laser-dressed Coulomb potential can not only be enhanced but also weakened by varying the two external fields. In this way, the binding energy can be tuned by the external fields and red-or blue-shifted with respect to the static binding energy. In the nonresonant polaron region, a magnetopolaron correction that includes the effects of photon process is observed. In the resonant polaron region, moreover, the resonant magnetopolaron effect accompanied by the emission and absorption of a single photon is distinctly observed. This can be modulated to be far away from the reststrahlen band. The intriguing findings of this paper can be observed experimentally and, in turn, provide a way to measure the strength of the electron-phonon interaction.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000426041900004 Publication Date 2018-02-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited (up) 9 Open Access  
  Notes ; This work was supported by the National Natural Science Foundation of China (Grants No. 11404214 and No. 11455015) and the China Scholarship Council (CSC), Anhui Provincial Natural Science Foundation (Grant No. 1408085QA13), Key Projects of Anhui Provincial Department of Education (Grants No. KJ2017A406 and No. KJ2017A401). B.V.D. was financially supported by the Research Science Foundation-Flanders (FWO-Vl) through a postdoctoral fellowship and M.V.d.D. was financially supported by the Research Science Foundation-Flanders (FWO-Vl) through a doctoral fellowship. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:149906UA @ admin @ c:irua:149906 Serial 4942  
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Author Mayer, J.A.; Offermans, T.; Chrapa, M.; Pfannmöller, M.; Bals, S.; Ferrini, R.; Nisato, G. url  doi
openurl 
  Title Optical enhancement of a printed organic tandem solar cell using diffractive nanostructures Type A1 Journal article
  Year 2018 Publication Optics express Abbreviated Journal Opt Express  
  Volume 26 Issue 26 Pages A240  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Solution processable organic tandem solar cells offer a promising approach to achieve cost-effective, lightweight and flexible photovoltaics. In order to further enhance the efficiency of optimized organic tandem cells, diffractive light-management nanostructures were designed for an optimal redistribution of the light as function of both wavelength and propagation angles in both sub-cells. As the fabrication of these optical structures is compatible with roll-to-roll production techniques such as hot-embossing or UV NIL imprinting, they present an optimal cost-effective solution for printed photovoltaics. Tandem cells with power conversion efficiencies of 8-10% were fabricated in the ambient atmosphere by doctor blade coating, selected to approximate the conditions during roll-to-roll manufacturing. Application of the light management structure onto an 8.7% efficient encapsulated tandem cell boosted the conversion efficiency of the cell to 9.5%. (C) 2018 Optical Society of America under the terms of the OSA Open Access Publishing Agreement  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000427900400003 Publication Date 2018-02-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1094-4087 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.307 Times cited (up) 9 Open Access OpenAccess  
  Notes ; FP7 European collaborative project SUNFLOWER (FP7-ICT-2011-7, grant number 287594); German Federal Ministry of Education and Research (BMBF) (03xEK3504, project TAURUS); FP7 European project ESTEEM2 (grant number 312483); HEiKA centre FunTECH-3D. ; Approved Most recent IF: 3.307  
  Call Number UA @ lucian @ c:irua:150839UA @ admin @ c:irua:150839 Serial 4975  
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Author Hai, G.-Q.; Candido, L.; Brito, B.G.A.; Peeters, F.M. url  doi
openurl 
  Title Electron pairing: from metastable electron pair to bipolaron Type A1 Journal article
  Year 2018 Publication Journal of physics communications Abbreviated Journal  
  Volume 2 Issue 3 Pages Unsp 035017  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Starting from the shell structure in atoms and the significant correlation within electron pairs, we distinguish the exchange-correlation effects between two electrons of opposite spins occupying the same orbital from the average correlation among many electrons in a crystal. In the periodic potential of the crystal with lattice constant larger than the effective Bohr radius of the valence electrons, these correlated electron pairs can form a metastable energy band above the corresponding single-electron band separated by an energy gap. In order to determine if these metastable electron pairs can be stabilized, we calculate the many-electron exchange-correlation renormalization and the polaron correction to the two-band system with single electrons and electron pairs. We find that the electron-phonon interaction is essential to counterbalance the Coulomb repulsion and to stabilize the electron pairs. The interplay of the electron-electron and electron-phonon interactions, manifested in the exchange-correlation energies, polaron effects, and screening, is responsible for the formation of electron pairs (bipolarons) that are located on the Fermi surface of the single-electron band.  
  Address  
  Corporate Author Thesis  
  Publisher IOP Publishing Place of Publication Bristol Editor  
  Language Wos 000434996900022 Publication Date 2018-02-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2399-6528 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited (up) 9 Open Access  
  Notes ; This work was supported by the Brazilian agencies FAPESP and CNPq. GQH would like to thank Prof. Bangfen Zhu for his invaluable support and expert advice. ; Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:152079UA @ admin @ c:irua:152079 Serial 5022  
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Author Abdullah, H.M.; Van der Donck, M.; Bahlouli, H.; Peeters, F.M.; Van Duppen, B. pdf  url
doi  openurl
  Title Graphene quantum blisters : a tunable system to confine charge carriers Type A1 Journal article
  Year 2018 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 112 Issue 21 Pages 213101  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Due to Klein tunneling, electrostatic confinement of electrons in graphene is not possible. This hinders the use of graphene for quantum dot applications. Only through quasi-bound states with finite lifetime has one achieved to confine charge carriers. Here, we propose that bilayer graphene with a local region of decoupled graphene layers is able to generate bound states under the application of an electrostatic gate. The discrete energy levels in such a quantum blister correspond to localized electron and hole states in the top and bottom layers. We find that this layer localization and the energy spectrum itself are tunable by a global electrostatic gate and that the latter also coincides with the electronic modes in a graphene disk. Curiously, states with energy close to the continuum exist primarily in the classically forbidden region outside the domain defining the blister. The results are robust against variations in size and shape of the blister which shows that it is a versatile system to achieve tunable electrostatic confinement in graphene. Published by AIP Publishing.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000433140900025 Publication Date 2018-05-22  
  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 (up) 9 Open Access  
  Notes ; H.M.A. and H.B. acknowledge the Saudi Center for Theoretical Physics (SCTP) for their generous support and the support of KFUPM under physics research group Project Nos. RG1502-1 and RG1502-2. This work was supported by the Flemish Science Foundation (FWO-Vl) by a post-doctoral fellowship (B.V.D.) and a doctoral fellowship (M.V.d.D.). ; Approved Most recent IF: 3.411  
  Call Number UA @ lucian @ c:irua:151505UA @ admin @ c:irua:151505 Serial 5027  
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Author Deshmukh, S.; Sankaran, K.J.; Srinivasu, K.; Korneychuk, S.; Banerjee, D.; Barman, A.; Bhattacharya, G.; Phase, D.M.; Gupta, M.; Verbeeck, J.; Leou, K.C.; Lin, I.N.; Haenen, K.; Roy, S.S. pdf  doi
openurl 
  Title Local probing of the enhanced field electron emission of vertically aligned nitrogen-doped diamond nanorods and their plasma illumination properties Type A1 Journal article
  Year 2018 Publication Diamond and related materials Abbreviated Journal Diam Relat Mater  
  Volume 83 Issue 83 Pages 118-125  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A detailed conductive atomic force microscopic investigation is carried out to directly image the electron emission behavior for nitrogen-doped diamond nanorods (N-DNRs). Localized emission measurements illustrate uniform distribution of high-density electron emission sites from N-DNRs. Emission sites coupled to nano graphitic phases at the grain boundaries facilitate electron transport and thereby enhance field electron emission from N-DNRs, resulting in a device operation at low turn-on fields of 6.23 V/mu m, a high current density of 1.94 mA/cm(2) (at an applied field of 11.8 V/mu m) and a large field enhancement factor of 3320 with a long lifetime stability of 980 min. Moreover, using N-DNRs as cathodes, a microplasma device that can ignite a plasma at a low threshold field of 390 V/mm achieving a high plasma illumination current density of 3.95 mA/cm2 at an applied voltage of 550 V and a plasma life-time stability for a duration of 433 min was demonstrated.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000430767200017 Publication Date 2018-02-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0925-9635 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.561 Times cited (up) 9 Open Access Not_Open_Access  
  Notes ; S. Deshmulch, D. Banerjee and G. Bhattacharya are indebted to Shiv Nadar University for providing Ph.D. scholarships. K.J. Sankaran and K. Haenen like to thank the financial support of the Research Foundation Flanders (FWO) via Research Grant 12I8416N and Research Project 1519817N, and the Methusalem “NANO” network. K.J. Sankaran is a Postdoctoral Fellow of the Research Foundation-Flanders (FWO). The Qu-Ant-EM microscope used for the TEM experiments was partly funded by the Hercules fund from the Flemish Government. S. Korneychuk and J. Verbeeck acknowledge funding from GOA project “Solarpaint” of the University of Antwerp. ; Approved Most recent IF: 2.561  
  Call Number UA @ lucian @ c:irua:151609UA @ admin @ c:irua:151609 Serial 5030  
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Author Rizzo, F.; Augieri, A.; Kursumovic, A.; Bianchetti, M.; Opherden, L.; Sieger, M.; Huehne, R.; Haenisch, J.; Meledin, A.; Van Tendeloo, G.; MacManus-Driscoll, J.L.; Celentano, G. url  doi
openurl 
  Title Pushing the limits of applicability of REBCO coated conductor films through fine chemical tuning and nanoengineering of inclusions Type A1 Journal article
  Year 2018 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume 10 Issue 17 Pages 8187-8195  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract An outstanding current carrying performance (namely critical current density, J(c)) over a broad temperature range of 10-77 K for magnetic fields up to 12 T is reported for films of YBa2Cu3O7-x with Ba2Y(Nb,Ta)O-6 inclusion pinning centres (YBCO-BYNTO) and thicknesses in the range of 220-500 nm. J(c) values of 10 MA cm(-2) were measured at 30 K – 5 T and 10 K – 9 T with a corresponding maximum of the pinning force density at 10 K close to 1 TN m(-3). The system is very flexible regarding properties and microstructure tuning, and the growth window for achieving a particular microstructure is wide, which is very important for industrial processing. Hence, the dependence of J(c) on the magnetic field angle was readily controlled by fine tuning the pinning microstructure. Transmission electron microscopy (TEM) analysis highlighted that higher growth rates induce more splayed and denser BYNTO nanocolumns with a matching field as high as 5.2 T. Correspondingly, a strong peak at the B||c-axis is noticed when the density of vortices is lower than the nanocolumn density. YBCO-BYNTO is a very robust and reproducible composite system for high-current coated conductors over an extended range of magnetic fields and temperatures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000432261400037 Publication Date 2018-03-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.367 Times cited (up) 9 Open Access OpenAccess  
  Notes ; This work was partially financially supported by EUROTAPES, a collaborative project funded by the European Commission's Seventh Framework Program (FP7/ 2007-2013) under Grant Agreement No. 280432. This work has been partially carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014-2018 under grant agreement no. 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission. ; Approved Most recent IF: 7.367  
  Call Number UA @ lucian @ c:irua:151520 Serial 5038  
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Author Zhang, S.-H.; Yang, W.; Peeters, F.M. url  doi
openurl 
  Title Veselago focusing of anisotropic massless Dirac fermions Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 97 Issue 20 Pages 205437  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Massless Dirac fermions (MDFs) emerge as quasiparticles in various novel materials such as graphene and topological insulators, and they exhibit several intriguing properties, of which Veselago focusing is an outstanding example with a lot of possible applications. However, up to now Veselago focusing merely occurred in p-n junction devices based on the isotropic MDF, which lacks the tunability needed for realistic applications. Here, motivated by the emergence of novel Dirac materials, we investigate the propagation behaviors of anisotropic MDFs in such a p-n junction structure. By projecting the Hamiltonian of the anisotropic MDF to that of the isotropic MDF and deriving an exact analytical expression for the propagator, precise Veselago focusing is demonstrated without the need for mirror symmetry of the electron source and its focusing image. We show a tunable focusing position that can be used in a device to probe masked atom-scale defects. This study provides an innovative concept to realize Veselago focusing relevant for potential applications, and it paves the way for the design of novel electron optics devices by exploiting the anisotropic MDF.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000433026700005 Publication Date 2018-05-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited (up) 9 Open Access  
  Notes ; This work was supported by the National Key R&D Program of China (Grant No. 2017YFA0303400), the NSFC (Grants No. 11504018 and No. 11774021), the MOST of China (Grant No. 2014CB848700), and the NSFC program for “Scientific Research Center” (Grant No. U1530401). Support by the bilateral project (FWO-MOST) is gratefully acknowledged. S.H.Z. is also supported by “the Fundamental Research Funds for the Central Universities (ZY1824).” We acknowledge the computational support from the Beijing Computational Science Research Center (CSRC). ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:151501UA @ admin @ c:irua:151501 Serial 5047  
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Author Pahlke, P.; Sieger, M.; Ottolinger, R.; Lao, M.; Eisterer, M.; Meledin, A.; Van Tendeloo, G.; Haenisch, J.; Holzapfel, B.; Schultz, L.; Nielsch, K.; Huehne, R. pdf  url
doi  openurl
  Title Influence of artificial pinning centers on structural and superconducting properties of thick YBCO films on ABAD-YSZ templates Type A1 Journal article
  Year 2018 Publication Superconductor science and technology Abbreviated Journal Supercond Sci Tech  
  Volume 31 Issue 4 Pages 044007  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Recent efforts in the development of YBa2Cu3O7-x (YBCO) coated conductors are devoted to the increase of the critical current I-c in magnetic fields. This is typically realized by growing thicker YBCO layers as well as by the incorporation of artificial pinning centers. We studied the growth of doped YBCO layers with a thickness of up to 7 mu m using pulsed laser deposition with a growth rate of about 1.2 nm s(-1). Industrially fabricated ion-beam textured YSZ templates based on metal tapes were used as substrates for this study. The incorporation of BaHfO3 (BHO) or Ba2Y(Nb0.5Ta0.5)O-6 (BYNTO) secondary phase additions leads to a denser microstructure compared to undoped films. A purely c-axis-oriented YBCO growth is preserved up to a thickness of about 4 mu m, whereas misoriented texture components were observed in thicker films. The critical temperature is slightly reduced compared to undoped films and independent of film thickness. The critical current density J(c) of the BHO- and BYNTO-doped YBCO layers is lower at 77 K and self-field compared to pure YBCO layers; however, I-c increases up to a thickness of 5 mu m. A comparison between films with a thickness of 1.3 mu m revealed that the anisotropy of the critical current density J(c)(theta) strongly depends on the incorporated pinning centers. Whereas BHO nanorods lead to a strong B vertical bar vertical bar c-axis peak, the overall anisotropy is significantly reduced by the incorporation of BYNTO forming a mixture of short c-axis-oriented nanorods and small (a-b)-oriented platelets. As a result, the J(c) values of the doped films outperform the undoped samples at higher fields and lower temperatures for most magnetic field directions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000442196400001 Publication Date 2018-02-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-2048 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.878 Times cited (up) 9 Open Access OpenAccess  
  Notes ; The authors acknowledge financial support from EURO-TAPES, a collaborative project funded by the European Union's Seventh Framework Programme (FP7/ 2007-2013) under Grant Agreement no. 280432. We thank A Usoskin (Bruker HTS GmbH, Germany) for the provision of buffered templates, and M Bianchetti, A Kursumovic and J L Mac-Manus-Driscoll (University of Cambridge, UK) for the supply of BYNTO targets. The authors also gratefully acknowledge the technical assistance of J Scheiter, M Kuhnel, U Besold (IFW) and R Nast (KIT). ; Approved Most recent IF: 2.878  
  Call Number UA @ lucian @ c:irua:153775 Serial 5108  
Permanent link to this record
 

 
Author Mulkers, J.; Hals, K.M.D.; Leliaert, J.; Milošević, M.V.; Van Waeyenberge, B.; Everschor-Sitte, K. url  doi
openurl 
  Title Effect of boundary-induced chirality on magnetic textures in thin films Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 98 Issue 6 Pages 064429  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In the quest for miniaturizing magnetic devices, the effects of boundaries and surfaces become increasingly important. Here we show how the recently predicted boundary-induced Dzyaloshinskii-Moriya interaction (DMI) affects the magnetization of ferromagnetic films with a C-infinity v symmetry and a perpendicular magnetic anisotropy. For an otherwise uniformly magnetized film, we find a surface twist when the magnetization in the bulk is canted by an in-plane external field. This twist at the surfaces caused by the boundary-induced DMI differs from the common canting caused by internal DMI observed at the edges of a chiral magnet. Furthermore, we find that the surface twist due to the boundary-induced DMI strongly affects the width of the domain wall at the surfaces. We also find that the skyrmion radius increases in the depth of the film, with the average size of the skyrmion increasing with boundary-induced DMI. This increase suggests that the boundary-induced DMI contributes to the stability of the skyrmion.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000443394600004 Publication Date 2018-08-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited (up) 9 Open Access  
  Notes ; The authors thank Matthias Sitte and Andre Thiaville for fruitful discussions. This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vlaanderen) through Project No. G098917N and the German Research Foundation (DFG) under the Project No. EV 196/2-1. J.L. is supported by the Ghent University Special Research Fund with a BOF postdoctoral fellowship. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:153706UA @ admin @ c:irua:153706 Serial 5093  
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Author Godet, M.; Vergès-Belmin, V.; Gauquelin, N.; Saheb, M.; Monnier, J.; Leroy, E.; Bourgon, J.; Verbeeck, J.; Andraud, C. pdf  url
doi  openurl
  Title Nanoscale investigation by TEM and STEM-EELS of the laser induced yellowing Type A1 Journal article
  Year 2018 Publication Micron Abbreviated Journal Micron  
  Volume 115 Issue Pages 25-31  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Nd-YAG QS laser cleaning of soiled stone at 1064 nm can sometimes result in a more yellow appearance compared to other cleaning techniques. Especially in France, this yellowing effect is still considered as a major aesthetic issue by the architects and conservators. One explanation states that the yellowing is linked to the formation of iron-rich nanophase(s) through the laser beam interaction with black crusts that would re-deposit on the cleaned substrate after irradiation. To characterize these nanophases, a model crust containing hematite was elaborated and laser irradiated using a Nd-YAG QS laser. The color of the sample shifted instantaneously from red to a bright yellow and numerous particles were ablated in a visible smoke. Transmission electron microscopy (TEM) was used to examine the morphology and the crystallinity of the neo-formed compounds, both on the surface of the samples and in the ablated materials. In addition, an investigation of the chemical and structural properties of the nanophases was conducted by X-ray dispersive energy (EDX) and electron energy loss (EELS) spectroscopies. It was found that both the surface of the sample and the ablated materials are covered by crystallized nano-spheres and nano-residues, all containing iron and oxygen, sometimes along with calcium and sulfur. In particular an interfacial area containing the four elements was evidenced between some nanostructures and the substrate. Magnetite Fe3O4 was also identified at the nanoscale. This study demonstrates that the laser yellowing of a model crust is linked to the presence of iron-rich nanophases including CaxFeySzOδ nanostructures and magnetite Fe3O4 at the surface after irradiation.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000449125600004 Publication Date 2018-08-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0968-4328 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.98 Times cited (up) 9 Open Access Not_Open_Access: Available from 19.08.2020  
  Notes The authors wish to thank Valérie Lalanne for the sample preparation for TEM and Stijn Van den Broeck for the FIB cut elaboration. The research leading to these results has received funding from the European Union Seventh Framework Programme under Grant Agreement 312483 – ESTEEM2 (Integrated Infrastructure Initiative–I3). Approved Most recent IF: 1.98  
  Call Number EMAT @ emat @c:irua:154356UA @ admin @ c:irua:154356 Serial 5056  
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Author Milovanović, S.P.; Covaci, L.; Peeters, F.M. pdf  doi
openurl 
  Title Strain fields in graphene induced by nanopillar mesh Type A1 Journal article
  Year 2019 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 125 Issue 8 Pages 082534  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The mechanical and electronic properties of a graphene membrane placed on top of a triangular superlattice of nanopillars are investigated. We use molecular dynamics simulations to access the deformation fields and the tight-binding approaches to calculate the electronic properties. Ripples form in the graphene layer that span across the unit cell, connecting neighboring pillars, in agreement with recent experiments. We find that the resulting pseudo-magnetic field (PMF) varies strongly across the unit cell. We investigate the dependence of PMF on unit cell boundary conditions, height of the pillars, and the strength of the van der Waals interaction between graphene and the substrate. We find direct correspondence with typical experiments on pillars, showing intrinsic “slack” in the graphene membrane. PMF values are confirmed by the local density of states calculations performed at different positions of the unit cell showing pseudo-Landau levels with varying spacings. Our findings regarding the relaxed membrane configuration and the induced strains are transferable to other flexible 2D membranes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000460033800038 Publication Date 2019-01-16  
  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 (up) 9 Open Access  
  Notes ; S.P.M. is supported by the Flemish Science Foundation (FWO). ; Approved Most recent IF: 2.068  
  Call Number UA @ admin @ c:irua:158605 Serial 5231  
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Author Rivera-Julio, J.; Gonzalez-Garcia, A.; Gonzalez-Hernandez, R.; Lopez-Perez, W.; Peeters, F.M.; Hernandez-Nieves, A.D. pdf  doi
openurl 
  Title Vibrational properties of germanane and fluorinated germanene in the chair, boat, and zigzag-line configurations Type A1 Journal article
  Year 2019 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 31 Issue 7 Pages 075301  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The electronic and vibrational properties of germanane and fluorinated germanene are studied within density functional theory (DFT) and density functional perturbation theory frameworks. Different structural configurations of germanane and fluorinated germanene are investigated. The energy difference between the different configurations are consistently smaller than the energy of thermal fluctuations for all the analyzed DFT functionals LDA, GGA, and hybrid functionals, which implies that, in principle, it is possible to find these different configurations in different regions of the sample as minority phases or local defects. We calculate the Raman and infrared spectra for these configurations by using ab initio calculations and compare it with available experimental spectra for germanane. Our results show the presence of minority phases compatible with the configurations analyzed in this work. As these low energy configurations are metastable the present work shows that the synthesis of these energy competing phases is feasible by selectively changing the synthesis conditions, which is an opportunity to expand in this way the availability of new two-dimensional compounds.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000454925400001 Publication Date 2018-11-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited (up) 9 Open Access  
  Notes ; We acknowledge financial support from PICT-2016-1087 from ANPCyT, PIP 2014-2016 00402 from CONICET and the Argentina-Belgium colaboration program SECYT-FWO FW/ 14/04. This work was also supported by Universidad del Norte and Colciencias (Administrative Department of Science, Technology and Research of Colombia) under Convocatoria 712-Convocatoria para proyectos de investigacion en ciencias basicas ano 2015, Cod: 121571250192, Contrato 110-216. ; Approved Most recent IF: 2.649  
  Call Number UA @ admin @ c:irua:156708 Serial 5238  
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Author Houben, K.; Jochum, J.K.; Lozano, D.P.; Bisht, M.; Menendez, E.; Merkel, D.G.; Ruffer, R.; Chumakov, A., I; Roelants, S.; Partoens, B.; Milošević, M.V.; Peeters, F.M.; Couet, S.; Vantomme, A.; Temst, K.; Van Bael, M.J. url  doi
openurl 
  Title In situ study of the \alpha-Sn to \beta-Sn phase transition in low-dimensional systems : phonon behavior and thermodynamic properties Type A1 Journal article
  Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 100 Issue 7 Pages 075408  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The densities of phonon states of thin Sn films on InSb substrates are determined during different stages of the alpha-Sn to beta-Sn phase transition using nuclear inelastic x-ray scattering. The vibrational entropy and internal energy per atom as a function of temperature are obtained by numerical integration of the phonon density of states. The free energy as a function of temperature for the nanoscale samples is compared to the free energy obtained from ab initio calculations of bulk tin in the alpha-Sn and beta-Sn phase. In thin films this phase transition is governed by the interplay between the vibrational behavior of the film (the phase transition is driven by the vibrational entropy) and the stabilizing influence of the substrate (which depends on the film thickness). This brings a deeper understanding of the role of lattice vibrations in the phase transition of nanoscale Sn.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000478992800005 Publication Date 2019-08-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited (up) 9 Open Access  
  Notes ; This work was supported by the Research Foundation Flanders (FWO) and the Concerted Research Action (Grant No. GOA14/007). K.H., S.C., D.P.L., and E.M. wish to thank the FWO for financial support. The authors gratefully acknowledge the European Synchrotron Radiation Facility (ESRF) for the granted beam time and the use of the in situ UHV preparation chamber. The authors thank B. Opperdoes for technical support and T. Peissker and R. Lieten for fruitful discussions. ; Approved Most recent IF: 3.836  
  Call Number UA @ admin @ c:irua:161836 Serial 5416  
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Author Yagmurcukardes, M. url  doi
openurl 
  Title Monolayer fluoro-InSe : formation of a thin monolayer via fluorination of InSe Type A1 Journal article
  Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 100 Issue 2 Pages 024108  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract By performing density functional theory-based first-principles calculations, the formation of a thin monolayer structure, namely InSeF, via fluorination of monolayer InSe is predicted. It is shown that strong interaction of F and In atoms leads to the detachment of In-Se layers in monolayer InSe and 1T-like monolayer InSeF structure is formed. Monolayer InSeF is found to be dynamically stable in terms of its phonon band dispersions. In addition, its Raman spectrum is shown to exhibit totally distinctive features as compared to monolayer InSe. The electronic band dispersions reveal that monolayer InSeF is a direct gap semiconductor whose valence and conduction band edges reside at the Gamma point. Moreover, the orientation-dependent linear elastic properties of monolayer InSeF are investigated in terms of the in-plane stiffness and Poisson ratio. It is found that monolayer InSeF displays strong in-plane anisotropy in elastic constants and it is slightly softer material as compared to monolayer InSe. Overall, it is proposed that a thin, direct gap semiconducting monolayer InSeF can be formed by full fluorination of monolayer InSe as a new member of the two-dimensional family.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000477885700003 Publication Date 2019-07-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited (up) 9 Open Access  
  Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). This work is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ; Approved Most recent IF: 3.836  
  Call Number UA @ admin @ c:irua:161891 Serial 5423  
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