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Author Bercx, M.; Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D. pdf  url
doi  openurl
  Title First-principles analysis of the spectroscopic limited maximum efficiency of photovoltaic absorber layers for CuAu-like chalcogenides and silicon Type A1 Journal article
  Year 2016 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys  
  Volume 18 Issue 18 Pages 20542-20549  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract Chalcopyrite semiconductors are of considerable interest for application as absorber layers in thin-film photovoltaic cells. When growing films of these compounds, however, they are often found to contain CuAu-like domains, a metastable phase of chalcopyrite. It has been reported that for CuInS2, the presence of the CuAu-like phase improves the short circuit current of the chalcopyrite-based photovoltaic cell. We investigate the thermodynamic stability of both phases for a selected list of I-III-VI2 materials using a first-principles density functional theory approach. For the CuIn-VI2 compounds, the difference in formation energy between the chalcopyrite and CuAu-like phase is found to be close to 2 meV per atom, indicating a high likelihood of the presence of CuAu-like domains. Next, we calculate the spectroscopic limited maximum efficiency (SLME) of the CuAu-like phase and compare the results with those of the corresponding chalcopyrite phase. We identify several candidates with a high efficiency, such as CuAu-like CuInS2, for which we obtain an SLME of 29% at a thickness of 500 nm. We observe that the SLME can have values above the Shockley-Queisser (SQ) limit, and show that this can occur because the SQ limit assumes the absorptivity to be a step function, thus overestimating the radiative recombination in the detailed balance approach. This means that it is possible to find higher theoretical efficiencies within this framework simply by calculating the J-V characteristic with an absorption spectrum. Finally, we expand our SLME analysis to indirect band gap absorbers by studying silicon, and find that the SLME quickly overestimates the reverse saturation current of indirect band gap materials, drastically lowering their calculated efficiency.  
  Address EMAT & CMT groups, Department of Physics, University of Antwerp, Campus Groenenborger, Groenenborgerlaan 171, 2020 Antwerp, Belgium. marnik.bercx@uantwerpen.be  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language (down) English Wos 000381428600058 Publication Date 2016-07-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1463-9076 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.123 Times cited 34 Open Access  
  Notes We acknowledge financial support of FWO-Vlaanderen through projects G.0150.13N and G.0216.14N and ERA-NET RUS Plus/FWO, Grant G0D6515N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO FWOVlaanderen. Approved Most recent IF: 4.123  
  Call Number c:irua:135091 Serial 4112  
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Author Sankaran, K.J.; Hoang, D.Q.; Kunuku, S.; Korneychuk, S.; Turner, S.; Pobedinskas, P.; Drijkoningen, S.; Van Bael, M.K.; D' Haen, J.; Verbeeck, J.; Leou, K.-C.; Lin, I.-N.; Haenen, K. url  doi
openurl 
  Title Enhanced optoelectronic performances of vertically aligned hexagonal boron nitride nanowalls-nanocrystalline diamond heterostructures Type A1 Journal article
  Year 2016 Publication Scientific reports Abbreviated Journal Sci Rep-Uk  
  Volume 6 Issue 6 Pages 29444  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Field electron emission (FEE) properties of vertically aligned hexagonal boron nitride nanowalls (hBNNWs) grown on Si have been markedly enhanced through the use of nitrogen doped nanocrystalline diamond (nNCD) films as an interlayer. The FEE properties of hBNNWs-nNCD heterostructures show a low turn-on field of 15.2 V/mum, a high FEE current density of 1.48 mA/cm(2) and life-time up to a period of 248 min. These values are far superior to those for hBNNWs grown on Si substrates without the nNCD interlayer, which have a turn-on field of 46.6 V/mum with 0.21 mA/cm(2) FEE current density and life-time of 27 min. Cross-sectional TEM investigation reveals that the utilization of the diamond interlayer circumvented the formation of amorphous boron nitride prior to the growth of hexagonal boron nitride. Moreover, incorporation of carbon in hBNNWs improves the conductivity of hBNNWs. Such a unique combination of materials results in efficient electron transport crossing nNCD-to-hBNNWs interface and inside the hBNNWs that results in enhanced field emission of electrons. The prospective application of these materials is manifested by plasma illumination measurements with lower threshold voltage (370 V) and longer life-time, authorizing the role of hBNNWs-nNCD heterostructures in the enhancement of electron emission.  
  Address IMOMEC, IMEC vzw, 3590 Diepenbeek, Belgium  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language (down) English Wos 000379391000001 Publication Date 2016-07-12  
  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 15 Open Access  
  Notes The authors like to thank the financial support of the Research Foundation Flanders (FWO) via Research Project G.0456.12, G0044.13N and the Methusalem “NANO” network. Kamatchi Jothiramalingam Sankaran, Stuart Turner, and Paulius Pobedinskas are Postdoctoral Fellows of the Research Foundations Flanders (FWO). Approved Most recent IF: 4.259  
  Call Number c:irua:134643 c:irua:134643UA @ admin @ c:irua:134643 Serial 4119  
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Author Turner, S.; Idrissi, H.; Sartori, A.F.; Korneychuck, S.; Lu, Y.-G.; Verbeeck, J.; Schreck, M.; Van Tendeloo, G. url  doi
openurl 
  Title Direct imaging of boron segregation at dislocations in B:diamond heteroepitaxial films Type A1 Journal article
  Year 2016 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume 8 Issue 8 Pages 2212-2218  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract A thin film of heavily B-doped diamond has been grown epitaxially by microwave plasma chemical vapor deposition on an undoped diamond layer, on top of a Ir/YSZ/Si(001) substrate stack, to study the boron segregation and boron environment at the dislocations present in the film. The density and nature of the dislocations were investigated by conventional and weak-beam dark-field transmission electron microscopy techniques, revealing the presence of two types of dislocations: edge and mixed-type 45 degrees dislocations. The presence and distribution of B in the sample was studied using annular dark-field scanning transmission electron microscopy and spatially resolved electron energy-loss spectroscopy. Using these techniques, a segregation of B at the dislocations in the film is evidenced, which is shown to be intermittent along the dislocation. A single edge-type dislocation was selected to study the distribution of the boron surrounding the dislocation core. By imaging this defect at atomic resolution, the boron is revealed to segregate towards the tensile strain field surrounding the edge-type dislocations. An investigation of the fine structure of the B-K edge at the dislocation core shows that the boron is partially substitutionally incorporated into the diamond lattice and partially present in a lower coordination (sp(2)-like hybridization).  
  Address EMAT, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp, Belgium. stuart.turner@uantwerpen.be  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language (down) English Wos 000368860900053 Publication Date 2015-12-21  
  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 15 Open Access  
  Notes S. T. acknowledges the fund for scien tific research Flanders (FWO) for a post-doctoral scholarship and under contract number G.0044.13N Approved Most recent IF: 7.367  
  Call Number c:irua:131597UA @ admin @ c:irua:131597 Serial 4121  
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Author Babynina, A.; Fedoruk, M.; Kuhler, P.; Meledin, A.; Doblinger, M.; Lohmueller, T. url  doi
openurl 
  Title Bending Gold Nanorods with Light Type A1 Journal article
  Year 2016 Publication Nano letters Abbreviated Journal Nano Lett  
  Volume 16 Issue 16 Pages 6485-6490  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract V-shaped gold nanoantennas are the functional components of plasmonic metasurfaces, which are capable of manipulating light in unprecedented ways. Designing a metasurface requires the custom arrangement of individual antennas with controlled shape and orientation. Here, we show how highly crystalline gold nanorods in solution can be bend, one-by one, into a V-shaped geometry and printed to the surface of a solid support through a combination of plasmonic heating and optical force. Significantly, we demonstrate that both the bending angle and the orientation of each rod-antenna can be adjusted independent from each other by tuning the laser intensity and polarization. This approach is applicable for the patterning of V-shaped plasmonic antennas on almost any substrate, which holds great potential for the fabrication of ultrathin optical components and devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language (down) English Wos 000385469800072 Publication Date 2016-09-06  
  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 24 Open Access  
  Notes PMID:27598653 We would also like to thank Prof. Jochen Feldmann and Bernhard Bohn for fruitful discussions. Approved Most recent IF: 12.712  
  Call Number c:irua:135172 Serial 4122  
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Author Spadaro, M.C.; Luches, P.; Bertoni, G.; Grillo, V.; Turner, S.; Van Tendeloo, G.; Valeri, S.; D'Addato, S. pdf  url
doi  openurl
  Title Influence of defect distribution on the reducibility of CeO2-x nanoparticles Type A1 Journal article
  Year 2016 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 27 Issue 27 Pages 425705  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Ceria nanoparticles (NPs) are fundamental in heterogeneous catalysis because of their ability to store or release oxygen depending on the ambient conditions. Their oxygen storage capacity is strictly related to the exposed planes, crystallinity, density and distribution of defects. In this work a study of ceria NPs produced with a ligand-free, physical synthesis method is presented. The NP films were grown by a magnetron sputtering based gas aggregation source and studied by high resolution- and scanning-transmission electron microscopy and x-ray photoelectron spectroscopy. In particular, the influence of the oxidation procedure on the NP reducibility has been investigated. The different reducibility has been correlated to the exposed planes, crystallinity and density and distribution of structural defects. The results obtained in this work represent a basis to obtain cerium oxide NP with desired oxygen transport properties.  
  Address Dipartimento FIM, Universita di Modena e Reggio Emilia, via G. Campi 213/a, I-41125 Modena, Italy. CNR-NANO, via G. Campi 213/a, I-41125 Modena, Italy  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language (down) English Wos 000385483900004 Publication Date 2016-09-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited 11 Open Access  
  Notes The authors gratefully acknowledge financial support by the Italian MIUR under grant FIRB RBAP115AYN (Oxides at the nanoscale: multifunctionality and applications). The activity is performed within the COST Action CM1104 'Reducible oxide chemistry, structure and functions'. The research leading to these results has received funding also from the European Union Seventh Framework Programme under Grant Agreement 312483—ESTEEM2 (Integrated Infrastructure Initiative–I3).; esteem2_ta Approved Most recent IF: 3.44  
  Call Number EMAT @ emat @ c:irua:135424 Serial 4130  
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Author Attri, P.; Yusupov, M.; Park, J.H.; Lingamdinne, L.P.; Koduru, J.R.; Shiratani, M.; Choi, E.H.; Bogaerts, A. pdf  url
doi  openurl
  Title Mechanism and comparison of needle-type non-thermal direct and indirect atmospheric pressure plasma jets on the degradation of dyes Type A1 Journal article
  Year 2016 Publication Scientific reports Abbreviated Journal Sci Rep-Uk  
  Volume 6 Issue 6 Pages 34419  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Purified water supply for human use, agriculture and industry is the major global priority nowadays. The advanced oxidation process based on atmospheric pressure non-thermal plasma (NTP) has been used for purification of wastewater, although the underlying mechanisms of degradation of organic pollutants are still unknown. In this study we employ two needle-type atmospheric pressure non-thermal plasma jets, i.e., indirect (ID-APPJ) and direct (D-APPJ) jets operating at Ar feed gas, for the treatment of methylene blue, methyl orange and congo red dyes, for two different times (i.e., 20 min and 30 min). Specifically, we study the decolorization/degradation of all three dyes using the above mentioned plasma sources, by means of UV-Vis spectroscopy, HPLC and a density meter. We also employ mass spectroscopy to verify whether only decolorization or also degradation takes place after treatment of the dyes by the NTP jets. Additionally, we analyze the interaction of OH radicals with all three dyes using reactive molecular dynamics simulations, based on the density functional-tight binding method. This investigation represents the first report on the degradation of these three different dyes by two types of NTP setups, analyzed by various methods, and based on both experimental and computational studies.  
  Address Research Group PLASMANT, Department of Chemistry, University of Antwerp, Universiteitsplein 1, B-2610 Antwerp, Belgium  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language (down) English Wos 000385172300001 Publication Date 2016-10-06  
  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 23 Open Access  
  Notes We gratefully acknowledge the grant received from the SRC program of the National Research Foundation of Korea (NRF), funded by the Korean Government (MEST) (No. 20100029418). PA is thankful to FY 2015 Japan Society for the Promotion of Science (JSPS) invitation fellowship. This work was partly supported by MEXT KAKENHI Grant Number 24108009 and JSPS KAKENHI Grant Number JP16H03895. M. Y. gratefully acknowledges financial support from the Research Foundation – Flanders (FWO), grant number 1200216N. 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: 4.259  
  Call Number PLASMANT @ plasmant @ c:irua:135847 Serial 4283  
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Author van der Stam, W.; Gradmann, S.; Altantzis, T.; Ke, X.; Baldus, M.; Bals, S.; de Mello Donega, C. pdf  url
doi  openurl
  Title Shape Control of Colloidal Cu2-x S Polyhedral Nanocrystals by Tuning the Nucleation Rates Type A1 Journal article
  Year 2016 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 28 Issue 28 Pages 6705-6715  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Synthesis protocols for colloidal nanocrystals (NCs) with narrow size and shape distributions are of particular interest for the successful implementation of these nanocrystals into devices. Moreover, the preparation of NCs with well-defined crystal phases is of key importance. In this work, we show that Sn(IV)-thiolate complexes formed in situ strongly influence the nucleation and growth rates of colloidal Cu2-x S polyhedral NCs, thereby dictating their final size, shape, and crystal structure. This allowed us to successfully synthesize hexagonal bifrustums and hexagonal bipyramid NCs with low-chalcocite crystal structure, and hexagonal nanoplatelets with various thicknesses and aspect ratios with the djurleite crystal structure, by solely varying the concentration of Sn(IV)-additives (namely, SnBr4) in the reaction medium. Solution and solid-state 119Sn NMR measurements show that SnBr4 is converted in situ to Sn(IV)-thiolate complexes, which increase the Cu2-x S nucleation barrier without affecting the precursor conversion rates. This influences both the nucleation and growth rates in a concentration-dependent fashion and leads to a better separation between nucleation and growth. Our approach of tuning the nucleation and growth rates with in situ-generated Sn-thiolate complexes might have a more general impact due to the availability of various metal-thiolate complexes, possibly resulting in polyhedral NCs of a wide variety of metal-sulfide compositions.  
  Address Condensed Matter and Interfaces, Debye Institute for Nanomaterials Science, Utrecht University , P.O. Box 80000, 3508 TA Utrecht, The Netherlands  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language (down) English Wos 000384399000037 Publication Date 2016-09-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.466 Times cited 27 Open Access OpenAccess  
  Notes W.v.d.S. and C.d.M.D. acknowledge financial support from the division of Chemical Sciences (CW) of The Netherlands Organization for Scientific Research (NWO) under grant number ECHO.712.012.001. M.B. also gratefully acknowledges NWO for funding the NMR infrastructure (Middle Groot program, grant number 700.58.102). S.B. acknowledges financial support from the European Research Council (ERC Starting Grant # 335078-COLOURATOMS).; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 9.466  
  Call Number EMAT @ emat @ c:irua:135928 Serial 4285  
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Author Geuchies, J.J.; van Overbeek, C.; Evers, W.H.; Goris, B.; de Backer, A.; Gantapara, A.P.; Rabouw, F.T.; Hilhorst, J.; Peters, J.L.; Konovalov, O.; Petukhov, A.V.; Dijkstra, M.; Siebbeles, L.D.A.; van Aert, S.; Bals, S.; Vanmaekelbergh, D. url  doi
openurl 
  Title In situ study of the formation mechanism of two-dimensional superlattices from PbSe nanocrystals Type A1 Journal article
  Year 2016 Publication Nature materials Abbreviated Journal Nat Mater  
  Volume 15 Issue 15 Pages 1248-1254  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Oriented attachment of PbSe nanocubes can result in the formation of two-dimensional (2D) superstructures with long-range nanoscale and atomic order. This questions the applicability of classic models in which the superlattice grows by first forming a nucleus, followed by sequential irreversible attachment of nanocrystals, as one misaligned attachment would disrupt the 2D order beyond repair. Here, we demonstrate the formation mechanism of 2D PbSe superstructures with square geometry by using in situ grazing-incidence X-ray scattering (small angle and wide angle), ex situ electron microscopy, and Monte Carlo simulations. We observed nanocrystal adsorption at the liquid/gas interface, followed by the formation of a hexagonal nanocrystal monolayer. The hexagonal geometry transforms gradually through a pseudo-hexagonal phase into a phase with square order, driven by attractive interactions between the {100} planes perpendicular to the liquid substrate, which maximize facet-to-facet overlap. The nanocrystals then attach atomically via a necking process, resulting in 2D square superlattices.  
  Address Condensed Matter and Interfaces, Debye Institute for Nanomaterials Science, Utrecht University, 3584 CC Utrecht, The Netherlands  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language (down) English Wos 000389104400011 Publication Date 2016-09-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1476-1122 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 39.737 Times cited 182 Open Access OpenAccess  
  Notes This research is part of the programme ‘Designing Dirac Carriers in semiconductor honeycomb superlattices (DDC13),’ which is supported by the Foundation for Fundamental Research on Matter (FOM), which is part of the Dutch Research Council (NWO). J.J.G. acknowledges funding from the Debye and ESRF Graduate Programs. The authors gratefully acknowledge funding from the Research Foundation Flanders (G.036915 G.037413 and funding of postdoctoral grants to B.G. and A.d.B). S.B. acknowledges the European Research Council, ERC grant No 335078—Colouratom. The authors gratefully acknowledge I. Swart and M. van Huis for fruitful discussions. We acknowledge funding from NWO-CW TOPPUNT ‘Superficial Superstructures’. The X-ray scattering measurements were performed at the ID10 beamline at ESRF under proposal numbers SC-4125 and SC-3786. The authors thank G. L. Destri and F. Zontone for their support during the experiments.; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 39.737  
  Call Number EMAT @ emat @ c:irua:136165 Serial 4289  
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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 (down) 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 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 Cassidy, S.J.; Batuk, M.; Batuk, D.; Hadermann, J.; Woodruff, D.N.; Thompson, A.L.; Clarke, S.J. pdf  doi
openurl 
  Title Complex Microstructure and Magnetism in Polymorphic CaFeSeO Type A1 Journal article
  Year 2016 Publication Inorganic chemistry Abbreviated Journal Inorg Chem  
  Volume 55 Issue 55 Pages 10714-10726  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The structural complexity of the antiferromagnetic oxide selenide CaFeSeO is described. The compound contains puckered FeSeO layers composed of FeSe2O2 tetrahedra sharing all their vertexes. Two polymorphs coexist that can be derived from an archetype BaZnSO structure by cooperative tilting of the FeSe2O2 tetrahedra. The polymorphs differ in the relative arrangement of the puckered layers of vertex-linked FeSe2O2 tetrahedra. In a noncentrosymmetric Cmc21 polymorph (a = 3.89684(2) A, b = 13.22054(8) A, c = 5.93625(2) A) the layers are related by the C-centering translation, while in a centrosymmetric Pmcn polymorph, with a similar cell metric (a = 3.89557(6) A, b = 13.2237(6) A, c = 5.9363(3) A), the layers are related by inversion. The compound shows long-range antiferromagnetic order below a Neel temperature of 159(1) K with both polymorphs showing antiferromagnetic coupling via Fe-O-Fe linkages and ferromagnetic coupling via Fe-Se-Fe linkages within the FeSeO layers. The magnetic susceptibility also shows evidence for weak ferromagnetism which is modeled in the refinements of the magnetic structure as arising from an uncompensated spin canting in the noncentrosymmetric polymorph. There is also a spin glass component to the magnetism which likely arises from the disordered regions of the structure evident in the transmission electron microscopy.  
  Address Department of Chemistry, Inorganic Chemistry Laboratory, University of Oxford , South Parks Road, Oxford OX1 3QR, United Kingdom  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language (down) English Wos 000385785700085 Publication Date 2016-10-05  
  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 6 Open Access  
  Notes We acknowledge the financial support of the EPSRC (Grants EP/I017844/1 and EP/M020517/1), the Leverhulme Trust (RPG-2014-221), and the Diamond Light Source (studentship support for S. J. Cassidy). We thank the ESTEEM2 network for enabling the electron microscopy investigations and the ISIS facility and the Diamond Light Source Ltd. for the award of beam time. We thank Dr. P. Manuel for assistance on WISH, Dr. R. I. Smith for assistance on GEM and POLARIS, and Dr. C. Murray and Dr. A. Baker for assistance on I11. Approved Most recent IF: 4.857  
  Call Number EMAT @ emat @ c:irua:136823 Serial 4312  
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Author Zhang, F.; Inokoshi, M.; Batuk, M.; Hadermann, J.; Naert, I.; Van Meerbeek, B.; Vleugels, J. pdf  doi
openurl 
  Title Strength, toughness and aging stability of highly-translucent Y-TZP ceramics for dental restorations Type A1 Journal article
  Year 2016 Publication Dental Materials Abbreviated Journal Dent Mater  
  Volume 32 Issue 32 Pages e327-e337  
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);  
  Abstract OBJECTIVE: The aim was to evaluate the optical properties, mechanical properties and aging stability of yttria-stabilized zirconia with different compositions, highlighting the influence of the alumina addition, Y2O3 content and La2O3 doping on the translucency. METHODS: Five different Y-TZP zirconia powders (3 commercially available and 2 experimentally modified) were sintered under the same conditions and characterized by X-ray diffraction with Rietveld analysis and scanning electron microscopy (SEM). Translucency (n=6/group) was measured with a color meter, allowing to calculate the translucency parameter (TP) and the contrast ratio (CR). Mechanical properties were appraised with four-point bending strength (n=10), single edge V-notched beam (SEVNB) fracture toughness (n=8) and Vickers hardness (n=10). The aging stability was evaluated by measuring the tetragonal to monoclinic transformation (n=3) after accelerated hydrothermal aging in steam at 134 degrees C, and the transformation curves were fitted by the Mehl-Avrami-Johnson (MAJ) equation. Data were analyzed by one-way ANOVA, followed by Tukey's HSD test (alpha=0.05). RESULTS: Lowering the alumina content below 0.25wt.% avoided the formation of alumina particles and therefore increased the translucency of 3Y-TZP ceramics, but the hydrothermal aging stability was reduced. A higher yttria content (5mol%) introduced about 50% cubic zirconia phase and gave rise to the most translucent and aging-resistant Y-TZP ceramics, but the fracture toughness and strength were considerably sacrificed. 0.2mol% La2O3 doping of 3Y-TZP tailored the grain boundary chemistry and significantly improved the aging resistance and translucency. Although the translucency improvement by La2O3 doping was less effective than for introducing a substantial amount of cubic zirconia, this strategy was able to maintain the mechanical properties of typical 3Y-TZP ceramics. SIGNIFICANCE: Three different approaches were compared to improve the translucency of 3Y-TZP ceramics.  
  Address KU Leuven, Department of Materials Engineering, Kasteelpark Arenberg 44, Belgium  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language (down) English Wos 000389516400003 Publication Date 2016-10-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0109-5641 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.07 Times cited Open Access  
  Notes The authors acknowledge the Research Fund of KU Leu- ven under project 0T/10/052 and the Fund for Scientific Research Flanders (FWO-Vlaanderen) under grant G.0431.10N. F. Zhang thanks the Research Fund of KU Leuven for her post- doctoral fellowship (PDM/15/153). We thank M. Peumans for the translucency measurements. Approved Most recent IF: 4.07  
  Call Number EMAT @ emat @ c:irua:136821 Serial 4313  
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Author Goodvin, G.L.; Covaci, L.; Berciu, M. doi  openurl
  Title Holstein polarons near surfaces Type A1 Journal article
  Year 2009 Publication Physical Review Letters Abbreviated Journal Phys Rev Lett  
  Volume 103 Issue 17 Pages 176402  
  Keywords A1 Journal article  
  Abstract We study the effects of a nearby surface on the spectral weight of a Holstein polaron, using the inhomogeneous momentum average approximation which is accurate over the entire range of electron-phonon (e-ph) coupling strengths. The broken translational symmetry is taken into account exactly. We find that the e-ph coupling gives rise to a large additional surface potential, with strong retardation effects, which may bind surface states even when they are not normally expected. The surface, therefore, has a significant effect and bulk properties are recovered only very far away from it. These results demonstrate that interpretation in terms of bulk quantities of spectroscopic data sensitive only to a few surface layers is not always appropriate.  
  Address Department of Physics and Astronomy, University of British Columbia, Vancouver, British Columbia, Canada V6T 1Z1  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language (down) English Wos 000271164500042 Publication Date 2009-10-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9007 ISBN Additional Links  
  Impact Factor 8.462 Times cited 8 Open Access  
  Notes Approved Most recent IF: 8.462; 2009 IF: 7.328  
  Call Number UA @ lucian @ Serial 4435  
Permanent link to this record
 

 
Author Marchand, D.; Covaci, L.; Berciu, M.; Franz, M. doi  openurl
  Title Giant proximity effect in a phase-fluctuating superconductor Type A1 Journal article
  Year 2008 Publication Physical Review Letters Abbreviated Journal Phys Rev Lett  
  Volume 101 Issue 9 Pages 097004  
  Keywords A1 Journal article  
  Abstract When a tunneling barrier between two superconductors is formed by a normal material that would be a superconductor in the absence of phase fluctuations, the resulting Josephson effect can undergo an enormous enhancement. We establish this novel proximity effect by a general argument as well as a numerical simulation and argue that it may underlie recent experimental observations of the giant proximity effect between two cuprate superconductors separated by a barrier made of the same material rendered normal by severe underdoping.  
  Address Department of Physics and Astronomy, University of British Columbia, Vancouver, BC, Canada V6T 1Z1  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language (down) English Wos 000259195800055 Publication Date 2008-08-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9007 ISBN Additional Links  
  Impact Factor 8.462 Times cited 17 Open Access  
  Notes Approved Most recent IF: 8.462; 2008 IF: 7.180  
  Call Number UA @ lucian @ Serial 4433  
Permanent link to this record
 

 
Author Covaci, L.; Berciu, M. doi  openurl
  Title Polaron formation in the presence of Rashba spin-orbit coupling: implications for spintronics Type A1 Journal article
  Year 2009 Publication Physical Review Letters Abbreviated Journal Phys Rev Lett  
  Volume 102 Issue 18 Pages 186403  
  Keywords A1 Journal article  
  Abstract We study the effects of the Rashba spin-orbit coupling on polaron formation, using a suitable generalization of the momentum average approximation. While previous work on a parabolic band model found that spin-orbit coupling increases the effective mass, we show that the opposite holds for a tight-binding model, unless both the spin-orbit and the electron-phonon couplings are weak. It is thus possible to lower the effective mass of the polaron by increasing the spin-orbit coupling. We also show that when the spin-orbit coupling is large as compared to the phonon energy, the polaron retains only one of the spin-polarized bands in its coherent spectrum. This has major implications for the propagation of spin-polarized currents in such materials, and thus for spintronic applications.  
  Address Department of Physics, University of British Columbia, Vancouver, British Columbia, Canada, V6T 1Z1  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language (down) English Wos 000265948600049 Publication Date 2009-05-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9007 ISBN Additional Links  
  Impact Factor 8.462 Times cited 25 Open Access  
  Notes Approved Most recent IF: 8.462; 2009 IF: 7.328  
  Call Number UA @ lucian @ Serial 4434  
Permanent link to this record
 

 
Author Vandemeulebroucke, D.; Batuk, M.; Hajizadeh, A.; Wastiaux, M.; Roussel, P.; Hadermann, J. pdf  url
doi  openurl
  Title Incommensurate Modulations and Perovskite Growth in LaxSr2–xMnO4−δAffecting Solid Oxide Fuel Cell Conductivity Type A1 Journal Article
  Year 2024 Publication Chemistry of Materials Abbreviated Journal Chem. Mater.  
  Volume Issue Pages  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract Ruddlesden-Popper La????Sr2−????MnO4−???? materials are interesting symmetric solid oxide

fuel cell electrodes due to their good redox stability, mixed ionic and electronic conducting behavior and thermal expansion that matches well with common electrolytes. In reducing environments – as at a solid oxide fuel cell anode – the x = 0.5 member, i.e. La0.5Sr1.5MnO4−????, has a much higher total conductivity than compounds with a different La/Sr ratio, although all those compositions have the same K2NiF4-type I4/mmm structure. The origin for this conductivity difference is not yet known in literature. Now, a combination of in-situ and ex-situ 3D electron diffraction, high-resolution imaging, energy-dispersive X-ray analysis and electron energy-loss spectroscopy uncovered clear differences between x=0.25 and x=0.5 in the pristine structure, as well as in the transformations upon high-temperature reduction. In La0.5Sr1.5MnO4−????, Ruddlesden-Popper n=2 layer defects and an amorphous surface layer are present, but not in La0.25Sr1.75MnO4−????. After annealing at 700°C in 5% H2/Ar, La0.25Sr1.75MnO4−???? transforms to a tetragonal 2D incommensurately modulated structure with modulation vectors ⃗????1 = 0.2848(1) · (⃗????* +⃗????*) and ⃗????2 =0.2848(1) · (⃗????* – ⃗????*), whereas La0.5Sr1.5MnO4−???? only partially transforms to an orthorhombic 1D incommensurately modulated structure,

with ⃗???? = 0.318(2) · ⃗????*. Perovskite domains grow at the crystal edge at 700°C in 5%

H2 or vacuum, due to the higher La concentration on the surface compared to the bulk, which leads to a different thermodynamic equilibrium. Since it is known that a lower degree of oxygen vacancy ordering and a higher amount of perovskite blocks enhance oxygen mobility, those differences in defect structure and structural transformation upon reduction, might all contribute to the higher conductivity of La0.5Sr1.5MnO4−???? in solid oxide fuel cell anode conditions compared to other La/Sr ratios.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language (down) English Wos 001174840900001 Publication Date 2024-02-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 8.6 Times cited Open Access Not_Open_Access  
  Notes Universiteit Antwerpen, BOF TOP 38689 ; Fonds Wetenschappelijk Onderzoek, I003218N ; European Commission NanED, 956099 ; Approved Most recent IF: 8.6; 2024 IF: 9.466  
  Call Number EMAT @ emat @c:irua:204354 Serial 8997  
Permanent link to this record
 

 
Author Iyikanat, F.; Sahin, H.; Senger, R.T.; Peeters, F.M. url  doi
openurl 
  Title Ag and Au atoms intercalated in bilayer heterostructures of transition metal dichalcogenides and graphene Type A1 Journal article
  Year 2014 Publication APL materials Abbreviated Journal Apl Mater  
  Volume 2 Issue 9 Pages 092801  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The diffusive motion of metal nanoparticles Au and Ag on monolayer and between bilayer heterostructures of transition metal dichalcogenides and graphene are investigated in the framework of density functional theory. We found that the minimum energy barriers for diffusion and the possibility of cluster formation depend strongly on both the type of nanoparticle and the type of monolayers and bilayers. Moreover, the tendency to form clusters of Ag and Au can be tuned by creating various bilayers. Tunability of the diffusion characteristics of adatoms in van der Waals heterostructures holds promise for controllable growth of nanostructures. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language (down) Wos 000342568000020 Publication Date 2014-08-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2166-532X ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.335 Times cited 10 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus Marie Curie Fellowship. F.I. and R.T.S. acknowledge the support from TUBITAK Project No. 111T318. ; Approved Most recent IF: 4.335; 2014 IF: NA  
  Call Number UA @ lucian @ c:irua:119950 Serial 82  
Permanent link to this record
 

 
Author Lentijo-Mozo, S.; Tan, R.P.; Garcia-Marcelot, C.; Altantzis, T.; Fazzini, P.F.; Hungria, T.; Cormary, B.; Gallagher, J.R.; Miller, J.T.; Martinez, H.; Schrittwieser, S.; Schotter, J.; Respaud, M.; Bals, S.; Van Tendeloo, G.; Gatel, C.; Soulantica, K. pdf  url
doi  openurl
  Title Air- and water-resistant noble metal coated ferromagnetic cobalt nanorods Type A1 Journal article
  Year 2015 Publication ACS nano Abbreviated Journal Acs Nano  
  Volume 9 Issue 9 Pages 2792-2804  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Cobalt nanorods possess ideal magnetic properties for applications requiring magnetically hard nanoparticles. However, their exploitation is undermined by their sensitivity toward oxygen and water, which deteriorates their magnetic properties. The development of a continuous metal shell inert to oxidation could render them stable, opening perspectives not only for already identified applications but also for uses in which contact with air and/or aqueous media is inevitable. However, the direct growth of a conformal noble metal shell on magnetic metals is a challenge. Here, we show that prior treatment of Co nanorods with a tin coordination compound is the crucial step that enables the subsequent growth of a continuous noble metal shell on their surface, rendering them air- and water-resistant, while conserving the monocrystallity, metallicity and the magnetic properties of the Co core. Thus, the as-synthesized coreshell ferromagnetic nanorods combine high magnetization and strong uniaxial magnetic anisotropy, even after exposure to air and water, and hold promise for successful implementation in in vitro biodiagnostics requiring probes of high magnetization and anisotropic shape.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language (down) Wos 000351791800055 Publication Date 2015-03-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1936-0851;1936-086X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.942 Times cited 25 Open Access OpenAccess  
  Notes 312483 Esteem2; 246791 Countatoms; 335078 Colouratom; esteem2ta; ECASSara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 13.942; 2015 IF: 12.881  
  Call Number c:irua:125380 c:irua:125380 Serial 87  
Permanent link to this record
 

 
Author Ludu, A.; Van Deun, J.; Milošević, M.V.; Cuyt, A.; Peeters, F.M. pdf  doi
openurl 
  Title Analytic treatment of vortex states in cylindrical superconductors in applied axial magnetic field Type A1 Journal article
  Year 2010 Publication Journal of mathematical physics Abbreviated Journal J Math Phys  
  Volume 51 Issue 8 Pages 082903,1-082903,29  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We solve the linear GinzburgLandau (GL) equation in the presence of a uniform magnetic field with cylindrical symmetry and we find analytic expressions for the eigenfunctions in terms of the confluent hypergeometric functions. The discrete spectrum results from an implicit equation associated to the boundary conditions and it is resolved in analytic form using the continued fractions formalism. We study the dependence of the spectrum and the eigenfunctions on the sample size and the surface conditions for solid and hollow cylindrical superconductors. Finally, the solutions of the nonlinear GL formalism are constructed as expansions in the linear GL eigenfunction basis and selected by minimization of the free energy. We present examples of vortex states and their energies for different samples in enhancing/suppressing superconductivity surroundings.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language (down) Wos 000281905000026 Publication Date 2010-08-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-2488; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.077 Times cited 10 Open Access  
  Notes ; ; Approved Most recent IF: 1.077; 2010 IF: 1.291  
  Call Number UA @ lucian @ c:irua:84880 Serial 106  
Permanent link to this record
 

 
Author Mueller, K.; Krause, F.F.; Béché, A.; Schowalter, M.; Galioit, V.; Loeffler, S.; Verbeeck, J.; Zweck, J.; Schattschneider, P.; Rosenauer, A. pdf  url
doi  openurl
  Title Atomic electric fields revealed by a quantum mechanical approach to electron picodiffraction Type A1 Journal article
  Year 2014 Publication Nature communications Abbreviated Journal Nat Commun  
  Volume 5 Issue Pages 5653  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract By focusing electrons on probes with a diameter of 50 pm, aberration-corrected scanning transmission electron microscopy (STEM) is currently crossing the border to probing subatomic details. A major challenge is the measurement of atomic electric fields using differential phase contrast (DPC) microscopy, traditionally exploiting the concept of a field- induced shift of diffraction patterns. Here we present a simplified quantum theoretical interpretation of DPC. This enables us to calculate the momentum transferred to the STEM probe from diffracted intensities recorded on a pixel array instead of conventional segmented bright- field detectors. The methodical development yielding atomic electric field, charge and electron density is performed using simulations for binary GaN as an ideal model system. We then present a detailed experimental study of SrTiO3 yielding atomic electric fields, validated by comprehensive simulations. With this interpretation and upgraded instrumentation, STEM is capable of quantifying atomic electric fields and high-contrast imaging of light atoms.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language (down) Wos 000347227700003 Publication Date 2014-12-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2041-1723; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.124 Times cited 197 Open Access  
  Notes 246791 COUNTATOMS; 278510 VORTEX; Hercules; 312483 ESTEEM2; esteem2ta; ECASJO; Approved Most recent IF: 12.124; 2014 IF: 11.470  
  Call Number UA @ lucian @ c:irua:122835UA @ admin @ c:irua:122835 Serial 166  
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Author Dendooven, J.; Devloo-Casier, K.; Ide, M.; Grandfield; Kurttepeli; Ludwig, K.F.; Bals, S.; Van der Voort, P.; Detavernier, C. pdf  url
doi  openurl
  Title Atomic layer deposition-based tuning of the pore size in mesoporous thin films studied by in situ grazing incidence small angle X-ray scattering Type A1 Journal article
  Year 2014 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume 6 Issue 24 Pages 14991-14998  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Atomic layer deposition (ALD) enables the conformal coating of porous materials, making the technique suitable for pore size tuning at the atomic level, e.g., for applications in catalysis, gas separation and sensing. It is, however, not straightforward to obtain information about the conformality of ALD coatings deposited in pores with diameters in the low mesoporous regime (<10 nm). In this work, it is demonstrated that in situ synchrotron based grazing incidence small angle X-ray scattering (GISAXS) can provide valuable information on the change in density and internal surface area during ALD of TiO2 in a porous titania film with small mesopores (3-8 nm). The results are shown to be in good agreement with in situ X-ray fluorescence data representing the evolution of the amount of Ti atoms deposited in the porous film. Analysis of both datasets indicates that the minimum pore diameter that can be achieved by ALD is determined by the size of the Ti-precursor molecule.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language (down) Wos 000345458200051 Publication Date 2014-10-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364;2040-3372; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.367 Times cited 41 Open Access OpenAccess  
  Notes 239865 Cocoon; 335078 Colouratom; Fwo; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 7.367; 2014 IF: 7.394  
  Call Number UA @ lucian @ c:irua:122227 Serial 169  
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Author Jungbauer, M.; Huehn, S.; Egoavil, R.; Tan, H.; Verbeeck, J.; Van Tendeloo, G.; Moshnyaga, V. pdf  url
doi  openurl
  Title Atomic layer epitaxy of Ruddlesden-Popper SrO(SrTiO3)n films by means of metalorganic aerosol deposition Type A1 Journal article
  Year 2014 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 105 Issue 25 Pages 251603  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We report an atomic layer epitaxial growth of Ruddlesden-Popper (RP) thin films of SrO(SrTiO3)(n) (n = infinity, 2, 3, 4) by means of metalorganic aerosol deposition (MAD). The films are grown on SrTiO3(001) substrates by means of a sequential deposition of Sr-O/Ti-O-2 atomic monolayers, monitored in-situ by optical ellipsometry. X-ray diffraction and transmission electron microscopy (TEM) reveal the RP structure with n = 2-4 in accordance with the growth recipe. RP defects, observed by TEM in a good correlation with the in-situ ellipsometry, mainly result from the excess of SrO. Being maximal at the film/substrate interface, the SrO excess rapidly decreases and saturates after 5-6 repetitions of the SrO(SrTiO3)(4) block at the level of 2.4%. This identifies the SrTiO3 substrate surface as a source of RP defects under oxidizing conditions within MAD. Advantages and limitations of MAD as a solution-based and vacuum-free chemical deposition route were discussed in comparison with molecular beam epitaxy. (C) 2014 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language (down) Wos 000346914000007 Publication Date 2014-12-26  
  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 32 Open Access  
  Notes 246102 IFOX; 278510 VORTEX; 246791 COUNTATOMS; Hercules; 312483 ESTEEM2; esteem2jra3 ECASJO; Approved Most recent IF: 3.411; 2014 IF: 3.302  
  Call Number UA @ lucian @ c:irua:122830UA @ admin @ c:irua:122830 Serial 172  
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Author Yalcin, A.O.; Fan, Z.; Goris, B.; Li, W.F.; Koster, R.S.; Fang, C.M.; van Blaaderen, A.; Casavola, M.; Tichelaar, F.D.; Bals, S.; Van Tendeloo, G.; Vlugt, T.J.H.; Vanmaekelbergh, D.; Zandbergen, H.W.; van Huis, M.A.; pdf  url
doi  openurl
  Title Atomic resolution monitoring of cation exchange in CdSe-PbSe heteronanocrystals during epitaxial solid-solid-vapor growth Type A1 Journal article
  Year 2014 Publication Nano letters Abbreviated Journal Nano Lett  
  Volume 14 Issue 6 Pages 3661-3667  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Here, we show a novel solidsolidvapor (SSV) growth mechanism whereby epitaxial growth of heterogeneous semiconductor nanowires takes place by evaporation-induced cation exchange. During heating of PbSe-CdSe nanodumbbells inside a transmission electron microscope (TEM), we observed that PbSe nanocrystals grew epitaxially at the expense of CdSe nanodomains driven by evaporation of Cd. Analysis of atomic-resolution TEM observations and detailed atomistic simulations reveals that the growth process is mediated by vacancies.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington Editor  
  Language (down) Wos 000337337100106 Publication Date 2014-05-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984;1530-6992; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.712 Times cited 42 Open Access OpenAccess  
  Notes 262348 Esmi; Fwo; 246791 Countatoms; 335078 Colouratom; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 12.712; 2014 IF: 13.592  
  Call Number UA @ lucian @ c:irua:117027 Serial 179  
Permanent link to this record
 

 
Author Verbeeck, J.; Schattschneider, P.; Lazar, S.; Stöger-Pollach, M.; Löffler, S.; Steiger-Thirsfeld, A.; Van Tendeloo, G. pdf  doi
openurl 
  Title Atomic scale electron vortices for nanoresearch Type A1 Journal article
  Year 2011 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 99 Issue 20 Pages 203109-203109,3  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Electron vortex beams were only recently discovered and their potential as a probe for magnetism in materials was shown. Here we demonstrate a method to produce electron vortex beams with a diameter of less than 1.2 Å. This unique way to prepare free electrons to a state resembling atomic orbitals is fascinating from a fundamental physics point of view and opens the road for magnetic mapping with atomic resolution in an electron microscope.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language (down) Wos 000297786500058 Publication Date 2011-11-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.411 Times cited 90 Open Access  
  Notes Hercules Approved Most recent IF: 3.411; 2011 IF: 3.844  
  Call Number UA @ lucian @ c:irua:93625UA @ admin @ c:irua:93625 Serial 184  
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Author Barbier, M.; Vasilopoulos, P.; Peeters, F.M.; Pereira, J.M. doi  openurl
  Title Band structure, density of states, and transmission in graphene bilayer superlattices Type A1 Journal article
  Year 2009 Publication AIP conference proceedings Abbreviated Journal  
  Volume 1199 Issue Pages 547-548  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The energy spectrum and density of states of graphene bilayer superlattices (SLs) are evaluated. We take into account doping and/or gating of the layers as well as tunnel coupling between them. In addition, we evaluate the transmission through such SLs and through single or double barriers. The transmission exhibits a strong dependence on the direction of the incident wave vector.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York Editor  
  Language (down) Wos 000281590800258 Publication Date 2010-01-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:84893 Serial 217  
Permanent link to this record
 

 
Author Van Tendeloo, L.; Wangermez, W.; Kurttepeli, M.; de Blochouse, B.; Bals, S.; Van Tendeloo, G.; Martens, J.A.; Maes, A.; Kirschhock, C.E.A.; Breynaert, E. pdf  url
doi  openurl
  Title Chabazite : stable cation-exchanger in hyper alkaline concrete pore water Type A1 Journal article
  Year 2015 Publication Environmental science and technology Abbreviated Journal Environ Sci Technol  
  Volume 49 Issue 49 Pages 2358-2365  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract To avoid impact on the environment, facilities for permanent disposal of hazardous waste adopt multibarrier design schemes. As the primary barrier very often consists of cement-based materials, two distinct aspects are essential for the selection of suitable complementary barriers: (1) selective sorption of the contaminants in the repository and (2) long-term chemical stability in hyperalkaline concrete-derived media. A multidisciplinary approach combining experimental strategies from environmental chemistry and materials science is therefore essential to provide a reliable assessment of potential candidate materials. Chabazite is typically synthesized in 1 M KOH solutions but also crystallizes in simulated young cement pore water, a pH 13 aqueous solution mainly containing K+ and Na+ cations. Its formation and stability in this medium was evaluated as a function of temperature (60 and 85 °C) over a timeframe of more than 2 years and was also asessed from a mechanistic point of view. Chabazite demonstrates excellent cation-exchange properties in simulated young cement pore water. Comparison of its Cs+ cation exchange properties at pH 8 and pH 13 unexpectedly demonstrated an increase of the KD with increasing pH. The combined results identify chabazite as a valid candidate for inclusion in engineered barriers for concrete-based waste disposal.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Easton, Pa Editor  
  Language (down) Wos 000349806400047 Publication Date 2015-01-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0013-936X;1520-5851; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.198 Times cited 13 Open Access OpenAccess  
  Notes This work was supported by long-term structural funding by the Flemish Government (Methusalem) and by ONDRAF/ NIRAS, the Belgian Agency for Radioactive Waste and Fissile Materials, as part of the program on surface disposal of Belgian Category A waste. The Belgian government is acknowledged for financing the interuniversity poles of attraction (IAP-PAI). G.V.T. and S.B. acknowledge financial support from European Research Council (ERC Advanced Grant no. 24691-COUNTATOMS, ERC Starting Grant no. 335078-COLOURATOMS).; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 6.198; 2015 IF: 5.330  
  Call Number c:irua:127695 Serial 307  
Permanent link to this record
 

 
Author Peeters, F.M.; Partoens, B.; Schweigert, V.A.; Schweigert, I.V. pdf  openurl
  Title Classical atomic bilayers Type H1 Book chapter
  Year 1998 Publication Abbreviated Journal  
  Volume Issue Pages 523-527  
  Keywords H1 Book chapter; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Plenum Press Place of Publication New York Editor  
  Language (down) Wos 000083193600095 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record; WoS full record;  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:24177 Serial 363  
Permanent link to this record
 

 
Author Liakakos, N.; Gatel, C.; Blon, T.; Altantzis, T.; Lentijo-Mozo, S.; Garcia-Marcelot, C.; Lacroix, L.M.; Respaud, M.; Bals, S.; Van Tendeloo, G.; Soulantica, K. pdf  url
doi  openurl
  Title CoFe nanodumbbells : synthesis, structure, and magnetic properties Type A1 Journal article
  Year 2014 Publication Nano letters Abbreviated Journal Nano Lett  
  Volume 14 Issue 5 Pages 2747-2754  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract We report the solution phase synthesis, the structural analysis, and the magnetic properties of hybrid nanostructures combining two magnetic metals. These nano-objects are characterized by a remarkable shape, combining Fe nanocubes on Co nanorods. The topological composition, the orientation relationship, and the growth steps have been studied by advanced electron microscopy techniques, such as HRTEM, electron tomography, and state-of-the-art 3-dimensional elemental mapping by EDX tomography. The soft iron nanocubes behave as easy nucleation centers that induce the magnetization reversal of the entire nanohybrid, leading to a drastic modification of the overall effective magnetic anisotropy.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington Editor  
  Language (down) Wos 000336074800080 Publication Date 2014-04-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984;1530-6992; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.712 Times cited 27 Open Access OpenAccess  
  Notes The authors thank the ANR for the project “Batmag”, the French national project EMMA (ANR12 BS10 013 01), the European Commission for the FP7 NAMDIATREAM project (EU NMP4-LA-2010-246479), and the METSA network for the HRTEM. This has received funding from the European Union Seventh Framework Programme under Grant Agreement 312483-ESTEEM2 (Integrated Infrastructure Initiative- I3). It was also supported by Programme Investissements d’Avenir under the program ANR-11-IDEX-0002-02, reference ANR-10-LABX-0037-NEXT. The authors acknowledge financial support from European Research Council (ERC Advanced Grant # 24691-COUNTATOMS and ERC Starting Grant # 335078-COLOURATOMS).; esteem2ta; ECASSara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 12.712; 2014 IF: 13.592  
  Call Number UA @ lucian @ c:irua:116953 Serial 377  
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Author Javon, E.; Gaceur, M.; Dachraoui, W.; Margeat, O.; Ackermann, J.; Ilenia Saba, M.; Delugas, P.; Mattoni, A.; Bals, S.; Van Tendeloo, G. pdf  url
doi  openurl
  Title Competing forces in the self-assembly of coupled ZnO nanopyramids Type A1 Journal article
  Year 2015 Publication ACS nano Abbreviated Journal Acs Nano  
  Volume 9 Issue 9 Pages 3685-3694  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Self-assembly (SA) of nanostructures has recently gained increasing interest. A clear understanding of the process is not straightforward since SA of nanoparticles is a complex multiscale phenomenon including different driving forces. Here, we study the SA between aluminum doped ZnO nanopyramids into couples by combining inorganic chemistry and advanced electron microscopy techniques with atomistic simulations. Our results show that the SA of the coupled nanopyramids is controlled first by morphology, as coupling only occurs in the case of pyramids with well-developed facets of the basal planes. The combination of electron microscopy and atomistic modeling reveals that the coupling is further driven by strong ligandligand interaction between the bases of the pyramids as dominant force, while screening effects due to Al doping or solvent as well as corecore interaction are only minor contributions. Our combined approach provides a deeper understanding of the complex interplay between the interactions at work in the coupled SA of ZnO nanopyramids.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language (down) Wos 000353867000030 Publication Date 2015-03-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1936-0851;1936-086X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.942 Times cited 21 Open Access OpenAccess  
  Notes Esmi; 335078 Colouratom; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 13.942; 2015 IF: 12.881  
  Call Number c:irua:125978 Serial 434  
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Author Ennaert, T.; Geboers, J.; Gobechiya, E.; Courtin, C.M.; Kurttepeli, M.; Houthoofd, K.; Kirschhock, C.E.A.; Magusin, P.C.M.M.; Bals, S.; Jacobs, P.A.; Sels, B.F. pdf  url
doi  openurl
  Title Conceptual frame rationalizing the self-stabilization of H-USY zeolites in hot liquid water Type A1 Journal article
  Year 2015 Publication ACS catalysis Abbreviated Journal Acs Catal  
  Volume 5 Issue 5 Pages 754-768  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The wide range of liquid-phase reactions required for the catalytic conversion of biomass compounds into new bioplatform molecules defines a new set of challenges for the development of active, selective, and stable catalysts. The potential of bifunctional Ru/H-USY catalysts for conversions in hot liquid water (HLW) is assessed in terms of physicochemical stability and long-term catalytic performance of acid sites and noble metal functionality, as probed by hydrolytic hydrogenation of cellulose. It is shown that zeolite desilication is the main zeolite degradation mechanism in HLW. USY zeolite stability depends on two main parameters, viz., framework and extra-framework aluminum content. The former protects the zeolite lattice by counteracting hydrolysis of framework bonds, and the latter, when located at the external crystal surface, prevents solubilization of the zeolite framework which is the result of its low water-solubility. Hence, the hot liquid water stability of commercial H-USY zeolites, in contrast to their steam stability, increased with decreasing Si/AI ratio. As a result, mildly steamed USY zeolites containing a high amount of both Al species exhibit the highest resistance to HLW. During an initial period of transformations, Al-rich zeolites form additional protective extra-framework Al species at the outer surface, self-stabilizing the framework. A critical bulk Si/AI ratio of 3 was determined whereby USY zeolites with a lower Si/AI ratio will self-stabilize over time. Besides, due to the initial transformation period, the accessibility of the catalytic active sites is extensively enhanced resulting in a material that is more stable and drastically more accessible to large substrates than the original zeolite. When these findings are applied in the hydrolytic hydrogenation of cellulose, unprecedented nearly quantitative hexitol yields were obtained with a stable catalytic system.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language (down) Wos 000349275300031 Publication Date 2014-12-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2155-5435;2155-5435; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 10.614 Times cited 65 Open Access OpenAccess  
  Notes 335078 Colouratom; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 10.614; 2015 IF: 9.312  
  Call Number c:irua:125288 Serial 474  
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Author Hutter, E.M.; Bladt, E.; Goris, B.; Pietra, F.; van der Bok, J.C.; Boneschanscher, M.P.; de Donega, C.M.; Bals, S.; Vanmaekelbergh, D. url  doi
openurl 
  Title Conformal and atomic characterization of ultrathin CdSe platelets with a helical shape Type A1 Journal article
  Year 2014 Publication Nano letters Abbreviated Journal Nano Lett  
  Volume 14 Issue 11 Pages 6257-6262  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Currently, ultrathin colloidal CdSe semiconductor nanoplatelets (NPLs) with a uniform thickness that is controllable up to the atomic scale can be prepared. The optical properties of these 2D semiconductor systems are the subject of extensive research. Here, we reveal their natural morphology and atomic arrangement. Using cryo-TEM (cryo-transmission electron microscopy), we show that the shape of rectangular NPLs in solution resembles a helix. Fast incorporation of these NPLs in silica preserves and immobilizes their helical shape, which allowed us to perform an in-depth study by high angle annular dark field scanning transmission electron microscopy (HAADF-STEM). Electron tomography measurements confirm and detail the helical shape of these systems. Additionally, high-resolution HAADF-STEM shows the thickness of the NPLs on the atomic scale and furthermore that these are consistently folded along a ?110? direction. The presence of a silica shell on both the top and bottom surfaces shows that Cd atoms must be accessible for silica precursor (and ligand) molecules on both sides.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington Editor  
  Language (down) Wos 000345723800036 Publication Date 2014-10-27  
  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 43 Open Access OpenAccess  
  Notes Dariusz Mitoraj, Hans Meeldijk, Relinde van Dijk-Moes, and Stephan Zevenhuizen are acknowledged for technical support and help with some experiments. The research leading to these results has received funding from the European Research Council under the European Union’s Seventh Framework Programme (FP/2007-2013)/ERC Grant Agreement no. 291667. The authors acknowledge financial support from FOM and NOW [FOM program Functional NanoParticle Solids (FNPS)]. S.B. acknowledges financial support from European Research Council (ERC Starting Grant #335078- COLOURATOMS). E.B. and B.G. gratefully acknowledge financial support by the Flemish Fund for Scientific Research (FWO Vlaanderen).; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 12.712; 2014 IF: 13.592  
  Call Number UA @ lucian @ c:irua:122209 Serial 490  
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