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Author Bogaerts, A.; van de Sanden, R.
  Title Special Issue of Papers by Plenary and Topical Invited Lecturers at the 22nd International Symposium on Plasma Chemistry (ISPC 22), 5–10 July 2015, Antwerp, Belgium: Introduction Type Editorial
  Year 2016 Publication Plasma chemistry and plasma processing Abbreviated Journal Plasma Chem Plasma P
  Volume 36 Issue 36 Pages 1-2
  Keywords Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000370720800001 Publication Date 2016-01-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0272-4324 ISBN Additional Links UA library record; WoS full record
  Impact Factor 2.355 Times cited Open Access
  Notes Approved Most recent IF: 2.355
  Call Number c:irua:130713 Serial (down) 4003
Permanent link to this record
 
 
Author Khalilov, U.; Yusupov, M.; Bogaerts, A.; Neyts, E.C.
  Title Selective Plasma Oxidation of Ultrasmall Si Nanowires Type A1 Journal article
  Year 2016 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 120 Issue 120 Pages 472-477
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Device performance of Si|SiOx core-shell based nanowires critically depends on the exact control over the oxide thickness. Low-temperature plasma oxidation is a highly promising alternative to thermal oxidation allowing for improved control over the oxidation process, in particular for ultrasmall Si nanowires. We here elucidate the room temperature plasma oxidation mechanisms of ultrasmall Si nanowires using hybrid molecular dynamics / force-bias Monte Carlo simulations. We demonstrate how the oxidation and concurrent water formation mechanisms are a function of the oxidizing plasma species and we demonstrate how the resulting core-shell oxide thickness can be controlled through these species. A new mechanism of water formation is discussed in detail. The results provide a detailed atomic level explanation of the oxidation process of highly curved Si surfaces. These results point out a route toward plasma-based formation of ultrathin core-shell Si|SiOx nanowires at room temperature.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000368562200057 Publication Date 2015-12-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 3 Open Access
  Notes U.K. and M.Y. gratefully acknowledge financial support from the Research Foundation – Flanders (FWO), Grants 12M1315N and 1200216N. This work was carried out in part 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. We thank Prof. A. C. T. van Duin for sharing the ReaxFF code. Approved Most recent IF: 4.536
  Call Number c:irua:130677 Serial (down) 4002
Permanent link to this record
 
 
Author Fedotov, S.S.; Khasanova, N.R.; Samarin, A.S.; Drozhzhin, O.A.; Batuk, D.; Karakulina, O.M.; Hadermann, J.; Abakumov, A.M.; Antipov, E.V.
  Title AVPO4F (A = Li, K): A 4 V Cathode Material for High-Power Rechargeable Batteries Type A1 Journal article
  Year 2016 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 28 Issue 28 Pages 411-415
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A novel potassium-based fluoride-phosphate, KVPO4F, with a KTiOPO4 (KTP) type structure is synthesized and characterized. About 85% of potassium has been electrochemically extracted on oxidation producing a cathode material with attractive performance for Li-ion batteries. The material operates at the electrode potential near 4V vs Li/Li+ exhibiting a sloping voltage profile, extremely low polarization, small volume change of about 2% and excellent rate capability, maintaining more than 75% of the initial capacity at 40C discharge rate without significant fading.
  Address
  Corporate Author Thesis
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  Language Wos 000368949900002 Publication Date 2016-01-04
  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 46 Open Access
  Notes The authors kindly thank Dr. S. N. Putilin for XRD measurements, Dr. O. A. Shlyakhtin for the assistance in cryochemical synthesis, Ph.D. students A. A. Sadovnikov and E. A. Karpukhina for SEM imaging and FTIR spectra respectively. The work was partly supported by Russian Science Foundation (grant 16-19-00190), Skoltech Center for Electrochemical Energy Storage and Moscow State University Devel-opment Program up to 2020. J. Hadermann, O.M. Karakulina and A.M. Abakumov acknowledge support from FWO under grant G040116N. Approved Most recent IF: 9.466
  Call Number c:irua:131583 Serial (down) 4001
Permanent link to this record
 
 
Author Filez, M.; Redekop, E.A.; Galvita, V.V.; Poelman, H.; Meledina, M.; Turner, S.; Van Tendeloo, G.; Bell, A.T.; Marin, G.B.
  Title The role of hydrogen during Pt-Ga nanocatalyst formation Type A1 Journal article
  Year 2016 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
  Volume 18 Issue 18 Pages 3234-3243
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Hydrogen plays an essential role during the in situ assembly of tailored catalytic materials, and serves as key ingredient in multifarious chemical reactions promoted by these catalysts. Despite intensive debate for several decades, the existence and nature of hydrogen-involved mechanisms – such as hydrogen-spillover, surface migration – have not been unambiguously proven and elucidated up to date. Here, Pt-Ga alloy formation is used as a probe reaction to study the behavior and atomic transport of H and Ga, starting from Pt nanoparticles on hydrotalcite-derived Mg(Ga)(Al)Ox supports. In situ XANES spectroscopy, time-resolved TAP kinetic experiments, HAADF-STEM imaging and EDX mapping are combined to probe Pt, Ga and H in a series of H2 reduction experiments up to 650 degrees C. Mg(Ga)(Al)Ox by itself dissociates hydrogen, but these dissociated hydrogen species do not induce significant reduction of Ga3+ cations in the support. Only in the presence of Pt, partial reduction of Ga3+ into Gadelta+ is observed, suggesting that different reaction mechanisms dominate for Pt- and Mg(Ga)(Al)Ox-dissociated hydrogen species. This partial reduction of Ga3+ is made possible by Pt-dissociated H species which spillover onto non-reducible Mg(Al)Ox or partially reducible Mg(Ga)(Al)Ox and undergo long-range transport over the support surface. Moderately mobile Gadelta+Ox migrates towards Pt clusters, where Gadelta+ is only fully reduced to Ga0 on condition of immediate stabilization inside Pt-Ga alloyed nanoparticles.
  Address Laboratory for Chemical Technology (LCT), Ghent University, Technologiepark 914, B-9052 Ghent, Belgium. hilde.poelman@ugent.be
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language English Wos 000369506000106 Publication Date 2016-01-04
  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 10 Open Access
  Notes This work was supported by the Fund for Scientific Research Flanders (FWO: G.0209.11), the ‘Long Term Structural Methusalem Funding by the Flemish Government’, the IAP 7/05 Interuniversity Attraction Poles Programme – Belgian State – Belgian Science Policy, and the Fund for Scientific Research Flanders (FWO-Vlaanderen) in supplying financing of beam time at the DUBBLE beam line of the ESRF and travel costs and a postdoctoral fellowship for S.T. The authors acknowledge the assistance from D. Banerjee (XAS campaign 26-01-979) at DUBBLE. E. A. Redekop acknowledges the Marie Curie International Incoming Fellowship granted by the European Commission (Grant Agreement No. 301703). The authors also express their gratitude to V. Bliznuk for acquisition of the TEM images. Approved Most recent IF: 4.123
  Call Number c:irua:132315 Serial (down) 4000
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Author Neyts, E.C.; Ostrikov, K.K.; Sunkara, M.K.; Bogaerts, A.
  Title Plasma Catalysis: Synergistic Effects at the Nanoscale Type A1 Journal article
  Year 2015 Publication Chemical reviews Abbreviated Journal Chem Rev
  Volume 115 Issue 115 Pages 13408-13446
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Thermal-catalytic gas processing is integral to many current industrial processes. Ever-increasing demands on conversion and energy efficiencies are a strong driving force for the development of alternative approaches. Similarly, synthesis of several functional materials (such as nanowires and nanotubes) demands special processing conditions. Plasma catalysis provides such an alternative, where the catalytic process is complemented by the use of plasmas that activate the source gas. This combination is often observed to result in a synergy between plasma and catalyst. This Review introduces the current state-of-the-art in plasma catalysis, including numerous examples where plasma catalysis has demonstrated its benefits or shows future potential, including CO2 conversion, hydrocarbon reforming, synthesis of nanomaterials, ammonia production, and abatement of toxic waste gases. The underlying mechanisms governing these applications, as resulting from the interaction between the plasma and the catalyst, render the process highly complex, and little is known about the factors leading to the often-observed synergy. This Review critically examines the catalytic mechanisms relevant to each specific application.
  Address Department of Chemistry, Research Group PLASMANT, Universiteit Antwerpen , Universiteitsplein 1, 2610 Wilrijk-Antwerp, Belgium
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  Language English Wos 000367563000006 Publication Date 2015-11-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0009-2665 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 47.928 Times cited 204 Open Access
  Notes ECN and AB gratefully acknowledge financial support from the Fund of Scientific Research Flanders (FWO), Belgium, Grant Number G.0217.14N. KO acknowledges partial support by the Australian Research Council and CSIRO’s OCE Science Leaders Program. MKS acknowledges partial support from US National Science Foundation through grants DMS 1125909 and EPSCoR 1355448 and also PhD students Babajide Ajayi, Apolo Nambo and Maria Carreon for their help. Approved Most recent IF: 47.928; 2015 IF: 46.568
  Call Number c:irua:130001 Serial (down) 3993
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Author Bal, K.M.; Neyts, E.C.
  Title Merging Metadynamics into Hyperdynamics: Accelerated Molecular Simulations Reaching Time Scales from Microseconds to Seconds Type A1 Journal article
  Year 2015 Publication Journal of chemical theory and computation Abbreviated Journal J Chem Theory Comput
  Volume 11 Issue 11 Pages 4545-4554
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The hyperdynamics method is a powerful tool to simulate slow processes at the atomic level. However, the construction of an optimal hyperdynamics potential is a task that is far from trivial. Here, we propose a generally applicable implementation of the hyperdynamics algorithm, borrowing two concepts from metadynamics. First, the use of a collective variable (CV) to represent the accelerated dynamics gives the method a very large flexibility and simplicity. Second, a metadynamics procedure can be used to construct a suitable history-dependent bias potential on-the-fly, effectively turning the algorithm into a self-learning accelerated molecular dynamics method. This collective variable-driven hyperdynamics (CVHD) method has a modular design: both the local system properties on which the bias is based, as well as the characteristics of the biasing method itself, can be chosen to match the needs of the considered system. As a result, system-specific details are abstracted from the biasing algorithm itself, making it extremely versatile and transparent. The method is tested on three model systems: diffusion on the Cu(001) surface and nickel-catalyzed methane decomposition, as examples of reactive processes with a bond-length-based CV, and the folding of a long polymer-like chain, using a set of dihedral angles as a CV. Boost factors up to 109, corresponding to a time scale of seconds, could be obtained while still accurately reproducing correct dynamics.
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  Language Wos 000362921700004 Publication Date 2015-09-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1549-9618 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.245 Times cited 41 Open Access
  Notes K.M.B. is funded as Ph.D. fellow (aspirant) of the FWOFlanders (Fund for Scientific Research-Flanders), Grant No. 11 V8915N. 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), funded by the Hercules Foundation and the Flemish Government−Department EWI. Approved Most recent IF: 5.245; 2015 IF: 5.498
  Call Number c:irua:128183 Serial (down) 3991
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Author Van der Paal, J.; Neyts, E.C.; Verlackt, C.C.W.; Bogaerts, A.
  Title Effect of lipid peroxidation on membrane permeability of cancer and normal cells subjected to oxidative stress Type A1 Journal article
  Year 2016 Publication Chemical science Abbreviated Journal Chem Sci
  Volume 7 Issue 7 Pages 489-498
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract We performed molecular dynamics simulations to investigate the effect of lipid peroxidation products on the structural and dynamic properties of the cell membrane. Our simulations predict that the lipid order in a phospholipid bilayer, as a model system for the cell membrane, decreases upon addition of lipid peroxidation products. Eventually, when all phospholipids are oxidized, pore formation can occur. This will allow reactive species, such as reactive oxygen and nitrogen species (RONS), to enter the cell and cause oxidative damage to intracellular macromolecules, such as DNA or proteins. On the other hand, upon increasing the cholesterol fraction of lipid bilayers, the cell membrane order increases, eventually reaching a certain threshold, from which cholesterol is able to protect the membrane against pore formation. This finding is crucial for cancer treatment by plasma technology, producing a large number of RONS, as well as for other cancer treatment methods that cause an increase in the concentration of extracellular RONS. Indeed, cancer cells contain less cholesterol than their healthy counterparts. Thus, they will be more vulnerable to the consequences of lipid peroxidation, eventually enabling the penetration of RONS into the interior of the cell, giving rise to oxidative stress, inducing pro-apoptotic factors. This provides, for the first time, molecular level insight why plasma can selectively treat cancer cells, while leaving their healthy counterparts undamaged, as is indeed experimentally demonstrated.
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  Language Wos 000366826900058 Publication Date 2015-10-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2041-6520 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.668 Times cited 106 Open Access
  Notes The authors acknowledge nancial support from the Fund for Scientic Research (FWO) Flanders, grant number G012413N. The calculations were performed in part using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the Universiteit Antwerpen. Approved Most recent IF: 8.668
  Call Number c:irua:131058 Serial (down) 3986
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Author Kerkhofs, S.; Willhammar, T.; Van Den Noortgate, H.; Kirschhock, C.E.A.; Breynaert, E.; Van Tendeloo, G.; Bals, S.; Martens, J.A.
  Title Self-Assembly of Pluronic F127—Silica Spherical Core–Shell Nanoparticles in Cubic Close-Packed Structures Type A1 Journal article
  Year 2015 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 27 Issue 27 Pages 5161-5169
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A new ordered mesoporous silica material (COK-19) with cubic symmetry is synthesized by silicate polycondensation in a citric acid/citrate buffered micellar solution of Pluronic F127 triblock copolymer near neutral pH. SAXS, nitrogen adsorption, TEM, and electron tomography reveal the final material has a cubic close packed symmetry (Fm3̅m) with isolated spherical mesopores interconnected through micropores. Heating of the synthesis medium from room temperature to 70 °C results in a mesopore size increase from 7.0 to 11.2 nm. Stepwise addition of the silicate source allows isolation of a sequence of intermediates that upon characterization with small-angle X-ray scattering uncovers the formation process via formation and aggregation of individual silica-covered Pluronic micelles.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000359499100003 Publication Date 2015-07-24
  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 39 Open Access OpenAccess
  Notes J.A.M. acknowledges the Flemish government for long-term structural funding (Methusalem, METH/08/04). The Belgian government is acknowledged for financing the interuniversity poles of attraction (IAP-PAI, P7/05 FS2). G.V.T., S.B. and T.W. acknowledge financial support from European Research Council (ERC Starting Grant no. 335078-COLOURATOMS). E.B. acknowledges financial support the Flemish FWO for a postdoctoral fellowship (1265013N). The authors gratefully thank Kristof Houthoofd for performing the NMR experiments.; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 9.466; 2015 IF: 8.354
  Call Number c:irua:127758 Serial (down) 3977
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Author Wang, Y.; Sentosun, K.; Li, A.; Coronado-Puchau, M.; Sánchez-Iglesias, A.; Li, S.; Su, X.; Bals, S.; Liz-Marzán, L.M.
  Title Engineering Structural Diversity in Gold Nanocrystals by Ligand-Mediated Interface Control Type A1 Journal article
  Year 2015 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 27 Issue 27 Pages 8032-8040
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Surface and interface control is fundamentally important for crystal growth engineering, catalysis, surface enhanced spectroscopies, and self-assembly, among other processes and applications. Understanding the role of ligands in regulating surface properties of plasmonic metal nanocrystals during growth has received considerable attention. However, the underlying mechanisms and the diverse functionalities of ligands are yet to be fully addressed. In this contribution,

we report a systematic study of ligand-mediated interface control in seeded growth of gold nanocrystals, leading to diverse and exotic nanostructures with an improved surface enhanced Raman scattering (SERS) activity. Three dimensional transmission electron microscopy (3D TEM) revealed an intriguing gold shell growth process mediated by the bifunctional ligand 1,4-benzenedithiol (BDT), which leads to a unique crystal growth mechanism as compared to other ligands, and subsequently to the concept of interfacial energy control mechanism. Volmer-Weber growth mode was proposed to be responsible for BDT-mediated seeded growth, favoring the strongest interfacial energy and generating an asymmetric island growth pathway with internal crevices/gaps. This additionally favors incorporation of BDT at the plasmonic nanogaps, thereby generating strong SERS activity with a maximum efficiency for a core-semishell configuration obtained along seeded growth. Numerical modeling was used to explain this observation. Interestingly, the same strategy can be used to engineer the structural diversity of this system, by using gold nanoparticle seeds with various sizes and shapes, and varying the [Au3+]/[Au0] ratio. This rendered a series of diverse and exotic plasmonic nanohybrids such as semishell-coated gold nanorods, with embedded Raman-active tags and Janus surface with distinct surface functionalities.

These would greatly enrich the plasmonic nanostructure toolbox for various studies and applications such as anisotropic nanocrystal engineering, SERS, and high-resolution Raman bioimaging or nanoantenna devices.
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  Language Wos 000366223200023 Publication Date 2015-10-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.466 Times cited 18 Open Access OpenAccess
  Notes The authors thank Bart Goris for his help with electron tomography. This work was funded by the European Commission (Grant #310445-2, SAVVY). The authors acknowledge financial support from European Research Council (ERC Advanced Grant # 267867- PLASMAQUO, ERC Starting Grant #335078-COLOURATOMS). The authors also appreciate financial support from the European Union under the Seventh Framework Program (Integrated Infrastructure Initiative N. 262348 European Soft Matter Infrastructure, ESMI). Wang Y. and Su X. would like to acknowledge the Agency for Science, Technology and Research (A*STAR), Singapore, for the financial support under the Grant JCO 14302FG096. M. C.-P. acknowledges an FPU scholarship from the Spanish Ministry of Education, Culture and Sports.; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 9.466; 2015 IF: 8.354
  Call Number c:irua:129598 c:irua:129598 Serial (down) 3972
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Author Muguerra, H.; Pescheux, A.-C.; Meledin, A.; Van Tendeloo, G.; Soubeyroux, J.-L.
  Title A La2−xGdxZr2O7layer deposited by chemical solution: a promising seed layer for the fabrication of high Jcand low cost coated conductors Type A1 Journal article
  Year 2015 Publication Journal of materials chemistry C : materials for optical and electronic devices Abbreviated Journal J Mater Chem C
  Volume 3 Issue 3 Pages 11766-11772
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract We deposited La2-xGdxZr2O7 seed layers by a chemical solution method on a Ni-5%W substrate to study the influence of these layers on the growth process of a 60 nm-thick La2Zr2O7 layer. We measured the performances of these new buffer layers integrated in a coated conductor with a 300 nm-thick Y0.5Gd0.5Ba2Cu3O7-x layer. For the seed layers{,} we considered two different gadolinium contents (x = 0.2 and x = 0.8) and three different thicknesses for these compositions (20 nm{,} 40 nm{,} and 60 nm). The most promising buffer layer stacks are those with 20 nm of the La1.8Gd0.2Zr2O7 layer or La1.2Gd0.8Zr2O7. Indeed the La2-xGdxZr2O7/La2Zr2O7 films are highly textured{,} similar to a 100 nm-thick La2Zr2O7 layer{,} but their roughness is four times lower. Moreover they contain less and smaller pores in the seed layer than a pure La2Zr2O7 layer. The surface of La2Zr2O7 is also homogenous and crystalline with an orientation deviation from the ideal ?011? (100) direction below 10[degree]. With the 20 nm La2-xGdxZr2O7 seed layers we obtain in the coated conductors an efficiently textured transfer with no gradual degradation from the substrate throughout the superconducting layer. The highest Tc and Jc values are achieved with the La1.8Gd0.2Zr2O7 layer and are{,} respectively{,} 91 K and 1.4 MA cm-2. This trend seems to be due to an improvement of the surface quality of the Ni5%W substrate by the addition of a thin seed layer. Our results offer the potential of the La2-xGdxZr2O7 seed layers as promising alternatives for the classic Ni-5%W/LZO/CeO2/YBCO architectures.
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  Language Wos 000364826000024 Publication Date 2015-10-21
  Series Editor Series Title Abbreviated Series Title
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  ISSN 2050-7526;2050-7534; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.256 Times cited 4 Open Access
  Notes This work was performed within the framework of the EUROTAPES project (FP7-NMP.2011.2.2-1 Grant no. 280438), funded by the European Union. The authors also thank L. Porcar and P. Chometon for superconducting transition temperature and critical current density measurements and P. Odier for fruitful discussion. Approved Most recent IF: 5.256; 2015 IF: 4.696
  Call Number c:irua:130181 Serial (down) 3968
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Author Cabana, L.; Gonzalez-Campo, A.; Ke, X.; Van Tendeloo, G.; Nunez, R.; Tobias, G.
  Title Efficient Chemical Modification of Carbon Nanotubes with Metallacarboranes Type A1 Journal article
  Year 2015 Publication Chemistry: a European journal Abbreviated Journal Chem-Eur J
  Volume 21 Issue 21 Pages 16792-16795
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract As-produced single-walled carbon nanotubes (SWCNTs) tend to aggregate in bundles due to pi-pi interactions. Several approaches are nowadays available to debundle, at least partially, the nanotubes through surface modification by both covalent and noncovalent approaches. Herein, we explore different strategies to afford an efficient covalent functionalization of SWCNTs with cobaltabisdicarbollide anions. Aberration-corrected HRTEM analysis reveals the presence of metallacarboranes along the walls of the SWCNTs. This new family of materials presents an outstanding water dispersibility that facilitates its processability for potential applications.
  Address Institut de Ciencia de Materials de Barcelona (ICMAB-CSIC), Campus Universitari de la UAB. 08193, Bellaterra (Spain). gerard.tobias@icmab.es
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  Language Wos 000366501600011 Publication Date 2015-10-06
  Series Editor Series Title Abbreviated Series Title
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  ISSN 0947-6539; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.317 Times cited 5 Open Access
  Notes The research leading to these results received financial support from MINECO (MAT2014-53500-R; CTQ2013-44670-R), Generalitat de Catalunya (2014/SGR/149), and from the European Commission under the FP7 ITN Marie-Curie Network programme RADDEL (grant agreement 290023), the Integrated Infrastructure Initiative No. 262348 European Soft Matter Infrastructure (ESMI) and the European Research Council, ERC Grant No 246791-COUNTATOMS. A.G.C. thanks the CSIC for the JAE-DOC grant. Approved Most recent IF: 5.317; 2015 IF: 5.731
  Call Number c:irua:129215 Serial (down) 3964
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Author De Bie, C.; van Dijk, J.; Bogaerts, A.
  Title The Dominant Pathways for the Conversion of Methane into Oxygenates and Syngas in an Atmospheric Pressure Dielectric Barrier Discharge Type A1 Journal article
  Year 2015 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 119 Issue 119 Pages 22331-22350
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract A one-dimensional fluid model for a dielectric barrier discharge in CH4/O2 and CH4/CO2 gas mixtures is developed. The model describes the gas-phase chemistry for partial oxidation and for dry reforming of methane. The spatially averaged densities of the various plasma species are presented as a function of time and initial gas mixing ratio. Besides, the conversion of the inlet gases and the selectivities of the reaction products are calculated. Syngas, higher hydrocarbons, and higher oxygenates are typically found to be important reaction products. Furthermore, the main underlying reaction pathways for the formation of syngas, methanol, formaldehyde, and other higher oxygenates are determined.
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  Language Wos 000362385700010 Publication Date 2015-09-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 46 Open Access
  Notes This work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the Universiteit Antwerpen. The authors also acknowledge financial support from the IAP/7 (Interuniversity Attraction Pole) program “PSI-Physical Chemistry of Plasma- Surface Interactions” by the Belgian Federal Office for Science Policy (BELSPO) and from the Fund for Scientific Research Flanders (FWO). Approved Most recent IF: 4.536; 2015 IF: 4.772
  Call Number c:irua:128774 Serial (down) 3960
Permanent link to this record
 
 
Author Wee, L.H.; Meledina, M.; Turner, S.; Custers, K.; Kerkhofs, S.; Van Tendeloo, G.; Martens, J.A.
  Title Hematite iron oxide nanorod patterning inside COK-12 mesochannels as an efficient visible light photocatalyst Type A1 Journal article
  Year 2015 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A
  Volume 3 Issue 3 Pages 19884-19891
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The uniform dispersion of functional oxide nanoparticles on the walls of ordered mesoporous silica to tailor optical, electronic, and magnetic properties for biomedical and environmental applications is a scientific challenge. Here, we demonstrate homogeneous confined growth of 5 nanometer-sized hematite iron oxide (α-Fe2O3) inside mesochannels of ordered mesoporous COK-12 nanoplates. The three-dimensional inclusion of the α-Fe2O3 nanorods in COK-12 particles is studied using high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM), energy-dispersive X-ray (EDX) spectroscopy and electron tomography. High resolution imaging and EDX spectroscopy provide information about the particle size, shape and crystal phase of the loaded α-Fe2O3 material, while electron tomography provides detailed information on the spreading of the nanorods throughout the COK-12 host. This nanocomposite material, having a semiconductor band gap energy of 2.40 eV according to diffuse reflectance spectroscopy, demonstrates an improved visible light photocatalytic degradation activity with rhodamine 6G and 1-adamantanol model compounds.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000362041300033 Publication Date 2015-08-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2050-7488;2050-7496; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.867 Times cited 9 Open Access
  Notes L.H.W. and S.T. thank the FWO-Vlaanderen for a postdoctoral research fellowship (12M1415N) and under contract number G004613N . J.A.M gratefully acknowledge financial supports from Flemish Government (Long-term structural funding-Methusalem). Collaboration among universities was supported by the Belgian Government (IAP-PAI network). Approved Most recent IF: 8.867; 2015 IF: 7.443
  Call Number c:irua:132567 Serial (down) 3959
Permanent link to this record
 
 
Author Zalfani, M.; van der Schueren, B.; Hu, Z.-Y.; Rooke, J.C.; Bourguiga, R.; Wu, M.; Li, Y.; Van Tendeloo, G.; Su, B.-L.
  Title Novel 3DOM BiVO4/TiO2nanocomposites for highly enhanced photocatalytic activity Type A1 Journal article
  Year 2015 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A
  Volume 3 Issue 3 Pages 21244-21256
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Novel 3DOM BiVO4/TiO2 nanocomposites with intimate contact were for the first time synthesized by a hydrothermal method in order to elucidate their visible-light-driven photocatalytic performances. BiVO4 nanoparticles and 3DOM TiO2 inverse opal were fabricated respectively. These materials were characterized by XRD, XPS, SEM, TEM, N2 adsorption–desorption and UV-vis diffuse (UV-vis) and photoluminescence spectroscopies. As references for comparison, a physical mixture of BiVO4 nanoparticles and 3DOM TiO2 inverse opal powder (0.08 : 1), and a BiVO4/P25 TiO2 (0.08 : 1) nanocomposite made also by the hydrothermal method were prepared. The photocatalytic performance of all the prepared materials was evaluated by the degradation of rhodamine B (RhB) as a model pollutant molecule under visible light irradiation. The highly ordered 3D macroporous inverse opal structure can provide more active surface areas and increased mass transfer because of its highly accessible 3D porosity. The results show that 3DOM BiVO4/TiO2 nanocomposites possess a highly prolonged lifetime and increased separation of visible light generated charges and extraordinarily high photocatalytic activity. Owing to the intimate contact between BiVO4 and large surface area 3DOM TiO2, the photogenerated high energy charges can be easily transferred from BiVO4 to the 3DOM TiO2 support. BiVO4 nanoparticles in the 3DOM TiO2 inverse opal structure act thus as a sensitizer to absorb visible light and to transfer efficiently high energy electrons to TiO2 to ensure long lifetime of the photogenerated charges and keep them well separated, owing to the direct band gap of BiVO4 of 2.4 eV, favourably positioned band edges, very low recombination rate of electron–hole pairs and stability when coupled with photocatalysts, explaining the extraordinarily high photocatalytic performance of 3DOM BiVO4/TiO2 nanocomposites. It is found that larger the amount of BiVO4 in the nanocomposite, longer the duration of photogenerated charge separation and higher the photocatalytic activity. This work can shed light on the development of novel visible light responsive nanomaterials for efficient solar energy utilisation by the intimate combination of an inorganic light sensitizing nanoparticle with an inverse opal structure with high diffusion efficiency and high accessible surface area.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000363163200049 Publication Date 2015-09-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2050-7488;2050-7496; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.867 Times cited 88 Open Access
  Notes This work was realized with the financial support of the Belgian FNRS (Fonds National de la Recherche Scientifique). This research used resources of the Electron Microscopy Service located at the University of Namur. This Service is a member of the “Plateforme Technologique Morphologie – Imagerie”. The XPS analyses were made in the LISE, Department of Physics of the University of Namur thanks to Dr P. Louette. This work was also supported by Changjiang Scholars and the Innovative Research Team (IRT1169) of the Ministry of Education of the People's Republic of China. B. L. Su acknowledges the Chinese Central Government for an “Expert of the State” position in the Program of the “Thousand Talents” and a Clare Hall Life Membership at the Clare Hall and the financial support of the Department of Chemistry, University of Cambridge. G. Van Tendeloo and Z. Y. Hu acknowledge support from the EC Framework 7 program ESTEEM2 (Reference 312483).; esteem2_jra4 Approved Most recent IF: 8.867; 2015 IF: 7.443
  Call Number c:irua:129476 c:irua:129476 Serial (down) 3951
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Author Wolf, D.; Rodriguez, L.A.; Béché, A.; Javon, E.; Serrano, L.; Magen, C.; Gatel, C.; Lubk, A.; Lichte, H.; Bals, S.; Van Tendeloo, G.; Fernández-Pacheco, A.; De Teresa, J.M.; Snoeck, E.
  Title 3D Magnetic Induction Maps of Nanoscale Materials Revealed by Electron Holographic Tomography Type A1 Journal article
  Year 2015 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 27 Issue 27 Pages 6771-6778
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The investigation of three-dimensional (3D) ferromagnetic nanoscale materials constitutes one of the key research areas of the current magnetism roadmap, and carries great potential to impact areas such as data storage, sensing and biomagnetism. The properties of such nanostructures are closely connected with their 3D magnetic nanostructure, making their determination highly valuable. Up to now, quantitative 3D maps providing both the internal magnetic and electric configuration of the same specimen with high spatial resolution are missing. Here, we demonstrate the quantitative 3D reconstruction of the dominant axial component of the magnetic induction and electrostatic potential within a cobalt nanowire (NW) of 100 nm in diameter with spatial resolution below 10 nanometers by applying electron holographic tomography. The tomogram was obtained using a dedicated TEM sample holder for acquisition, in combination with advanced alignment and tomographic reconstruction routines. The powerful approach presented here is widely applicable to a broad range of 3D magnetic nanostructures and may trigger the progress of novel spintronic non-planar nanodevices.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000362920700037 Publication Date 2015-09-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.466 Times cited 50 Open Access OpenAccess
  Notes This work was supported by the European Union under the Seventh Framework Program under a contract for an Inte-grated Infrastructure Initiative Reference 312483-ESTEEM2. S.B. and A.B. gratefully acknowledge funding by ERC Starting grants number 335078 COLOURATOMS and number 278510 VORTEX. AF-P acknowledges an EPSRC Early Career fellowship and support from the Winton Foundation. E.S., C.G. and L.A. R. acknowledge the French ANR program for support though the project EMMA.; esteem2jra4; ECASJO;; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 9.466; 2015 IF: 8.354
  Call Number c:irua:129180 c:irua:129180 c:irua:129180 Serial (down) 3950
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Author Vannier, R.-N.; Théry, O.; Kinowski, C.; Huvé, M.; Van Tendeloo, G.; Suard, E.; Abraham, F.
  Title Zr substituted bismuth uranate Type A1 Journal article
  Year 1999 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem
  Volume 9 Issue Pages 435-443
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000078572900019 Publication Date 2002-07-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 4 Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:29714 Serial (down) 3937
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Author Esken, D.; Noei, H.; Wang, Y.; Wiktor, C.; Turner, S.; Van Tendeloo, G.; Fischer, R.A.
  Title ZnO@ZIF-8 : stabilization of quantum confined ZnO nanoparticles by a zinc methylimidazolate framework and their surface structural characterization probed by CO2 adsorption Type A1 Journal article
  Year 2011 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem
  Volume 21 Issue 16 Pages 5907-5915
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The microporous and activated zeolitic imidazolate framework (Zn(MeIM)2; MeIM = imidazolate-2-methyl; ZIF-8) was loaded with the MOCVD precursor diethyl zinc [Zn(C2H5)2]. Exposure of ZIF-8 to the vapour of the volatile organometallic molecule resulted in the formation of the inclusion compound [Zn(C2H5)2]0.38@ZIF-8 revealing two precursor molecules per cavity. In a second step the obtained material was treated with oxygen (5 vol% in argon) at various temperatures (oxidative annealing) to achieve the composite material ZnO0.35@ZIF-8. The new material was characterized with powder XRD, FT-IR, UV-vis, solid state NMR, elemental analysis, N2 sorption measurements, and transmission electron microscopy. The data give evidence for the presence of nano-sized ZnO particles stabilized by ZIF-8 showing a blue-shift of the UV-vis absorption caused by quantum size effect (QSE). The surface structure and reactivity of embedded ZnO nanoparticles were characterized via carbon dioxide adsorption at different temperatures monitored by ultra-high vacuum FTIR techniques. It was found that the surface of ZnO nanoparticles is dominated by polar OZnO and ZnZnO facets as well as by defect sites, which all exhibit high reactivity towards CO2 activation forming various adsorbed carbonate and chemisorbed CO2δ− species.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000289260000012 Publication Date 2011-03-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 76 Open Access
  Notes Esteem 026019 Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:88641 Serial (down) 3936
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Author Bekermann, D.; Gasparotto, A.; Barreca, D.; Devi, A.; Fischer, R.A.; Kete, M.; Štangar, U.L.; Lebedev, O.I.; Maccato, C.; Tondello, E.; Van Tendeloo, G.
  Title ZnO nanorod arrays by plasma-enhanced CVD for light-activated functional applications Type A1 Journal article
  Year 2010 Publication ChemPhysChem : a European journal of chemical physics and physical chemistry Abbreviated Journal Chemphyschem
  Volume 11 Issue 11 Pages 2337-2340
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Switch of the surface properties: Supported ZnO nanorod arrays with tailored roughness and aspect ratios are successfully synthesized by plasma-enhanced chemical vapor deposition. Such nanostructures exhibit significant superhydrophilic and photocatalytic properties tunable as a function of their morphological organization (see picture). This renders them promising building blocks for the fabrication of stimuli-responsive materials.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000281061500008 Publication Date 2010-06-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1439-4235;1439-7641; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.075 Times cited 38 Open Access
  Notes Esteem 026019 Approved Most recent IF: 3.075; 2010 IF: 3.340
  Call Number UA @ lucian @ c:irua:84594 Serial (down) 3935
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Author Cornil, D.; Li, H.; Wood, C.; Pourtois, G.; Bredas, J.-L.; Cornil, J.
  Title Work-function modification of Au and Ag surfaces upon deposition of self-assembled monolayers : influence of the choice of the theoretical approach and the thiol decomposition scheme Type A1 Journal article
  Year 2013 Publication ChemPhysChem : a European journal of chemical physics and physical chemistry Abbreviated Journal Chemphyschem
  Volume 14 Issue 13 Pages 2939-2946
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract We have characterized theoretically the work-function modifications of the (111) surfaces of gold and silver upon deposition of self-assembled monolayers based on methanethiol and trifluoromethanethiol. A comparative analysis is made between the experimental results and those obtained from two widely used approaches based on density functional theory. The contributions to the total work-function modifications are estimated on the basis of two decomposition schemes of the thiol molecules that have been proposed in the literature. The contributions are found to differ significantly between the two approaches, as do the corresponding adsorption energies.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000324316000014 Publication Date 2013-07-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1439-4235; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.075 Times cited 9 Open Access
  Notes Approved Most recent IF: 3.075; 2013 IF: 3.360
  Call Number UA @ lucian @ c:irua:112278 Serial (down) 3923
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Author Yang, X.-Y.; Tian, G.; Chen, L.-H.; Li, Y.; Rooke, J.C.; Wei, Y.-X.; Liu, Z.-M.; Deng, Z.; Van Tendeloo, G.; Su, B.-L.
  Title Well-organized zeolite nanocrystal aggregates with interconnected hierarchically micro-meso-macropore systems showing enhanced catalytic performance Type A1 Journal article
  Year 2011 Publication Chemistry: a European journal Abbreviated Journal Chem-Eur J
  Volume 17 Issue 52 Pages 14987-14995
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Preparation and characterization of well-organized zeolitic nanocrystal aggregates with an interconnected hierarchically micromesomacro porous system are described. Amorphous nanoparticles in bimodal aluminosilicates were directly transformed into highly crystalline nanosized zeolites, as well as acting as scaffold template. All pores on three length scales incorporated in one solid body are interconnected with each other. These zeolitic nanocrystal aggregates with hierarchically micromesomacroporous structure were thoroughly characterized. TEM images and 29Si NMR spectra showed that the amorphous phase of the initial material had been completely replaced by nanocrystals to give a micromesomacroporous crystalline zeolitic structure. Catalytic testing demonstrated their superiority due to the highly active sites and the presence of interconnected micromesomacroporosity in the cracking of bulky 1,3,5-triisopropylbenzene (TIPB) compared to traditional zeolite catalysts. This synthesis strategy was extended to prepare various zeolitic nanocrystal aggregates (ZSM-5, Beta, TS-1, etc.) with well-organized hierarchical micromesomacroporous structures.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000298547300035 Publication Date 2011-11-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0947-6539; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.317 Times cited 61 Open Access
  Notes Approved Most recent IF: 5.317; 2011 IF: 5.925
  Call Number UA @ lucian @ c:irua:96274 Serial (down) 3913
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Author Chizhov, A.S.; Rumyantseva, M.N.; Vasiliev, R.B.; Filatova, D.G.; Drozdov, K.A.; Krylov, I.V.; Abakumov, A.M.; Gaskov, A.M.
  Title Visible light activated room temperature gas sensors based on nanocrystalline ZnO sensitized with CdSe quantum dots Type A1 Journal article
  Year 2014 Publication Sensors and actuators : B : chemical Abbreviated Journal Sensor Actuat B-Chem
  Volume 205 Issue Pages 305-312
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract This work reports the study of photoconductivity and visible light activated room temperature gas sensors properties of nanocrystalline ZnO thick films sensitized with colloidal CdSe quantum dots (QDs). Nanocrystalline zinc oxide (ZnO) was synthesized by the precipitation method. Colloidal CdSe quantum dots were obtained by high temperature colloidal synthesis. Sensitization was effectuated by three different procedures including direct adsorption of CdSe QDs stabilized with oleic acid on ZnO surface, anchoring to the ZnO surface through a bifunctional molecule of mercaptopropionic acid (MPA), and coating of CdSe QDs with a monolayer of MPA with subsequent adsorption on ZnO surface. Sensor measurements demonstrated that obtained QD CdSe/ZnO nanocomposites can be used for NO2 detection under visible (green) light illumination at room temperature without any thermal heating. (C) 2014 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lausanne Editor
  Language Wos 000343117600041 Publication Date 2014-09-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0925-4005; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.401 Times cited 36 Open Access
  Notes Approved Most recent IF: 5.401; 2014 IF: 4.097
  Call Number UA @ lucian @ c:irua:121107 Serial (down) 3848
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Author Simon, Q.; Barreca, D.; Gasparotto, A.; Maccato, C.; Montini, T.; Gombac, V.; Fornasiero, P.; Lebedev, O.I.; Turner, S.; Van Tendeloo, G.
  Title Vertically oriented CuO/ZnO nanorod arrays : from plasma-assisted synthesis to photocatalytic H2 production Type A1 Journal article
  Year 2012 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem
  Volume 22 Issue 23 Pages 11739-11747
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract 1D CuO/ZnO nanocomposites were grown on Si(100) substrates by means of an original two-step synthetic strategy. ZnO nanorod (NR) arrays were initially deposited by plasma enhanced-chemical vapor deposition (PE-CVD) from an ArO2 atmosphere. Subsequently, tailored amounts of CuO were dispersed over zinc oxide matrices by radio frequency (RF)-sputtering of Cu from Ar plasmas, followed by thermal treatment in air. A thorough characterization of the obtained systems was carried out by X-ray photoelectron and X-ray excited-Auger electron spectroscopies (XPS and XE-AES), glancing incidence X-ray diffraction (GIXRD), field emission-scanning electron microscopy (FE-SEM), energy dispersive X-ray spectroscopy (EDXS), atomic force microscopy (AFM), transmission electron microscopy (TEM), electron diffraction (ED) and energy filtered-TEM (EF-TEM). Pure and highly oriented CuO/ZnO NR arrays, free from ternary ZnCuO phases and characterized by a copper(II) oxide content controllable as a function of the adopted RF-power, were successfully obtained. Interestingly, the structural relationships between the two oxides at the CuO/ZnO interface were found to depend on the overall CuO loading. The obtained nanocomposites displayed promising photocatalytic performances in H2 production by reforming of ethanolwater solutions under simulated solar illumination, paving the way to the sustainable conversion of solar light into chemical energy.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000304351400046 Publication Date 2012-04-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 74 Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:98382 Serial (down) 3840
Permanent link to this record
 
 
Author Verberck, B.; Popov, V.N.; Nikolaev, A.V.; Lamoen, D.
  Title Valence electronic charge density of distorted C60-monomers in polymerized KC60 and RbC60 Type A1 Journal article
  Year 2004 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
  Volume 121 Issue Pages 321
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000222112100035 Publication Date 2004-06-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-9606; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.965 Times cited 7 Open Access
  Notes Approved Most recent IF: 2.965; 2004 IF: 3.105
  Call Number UA @ lucian @ c:irua:47380 Serial (down) 3830
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Author Iyikanat, F.; Sahin, H.; Senger, R.T.; Peeters, F.M.
  Title Vacancy formation and oxidation characteristics of single layer TiS3 Type A1 Journal article
  Year 2015 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 119 Issue 119 Pages 10709-10715
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract The structural, electronic, and magnetic properties of pristine, defective, and oxidized monolayer TiS3 are investigated using first-principles calculations in the framework of density functional theory. We found that a single layer of TiS3 is a direct band gap semiconductor, and the bonding nature of the crystal is fundamentally different from other transition metal chalcogenides. The negatively charged surfaces of single layer TiS3 makes this crystal a promising material for lubrication applications. The formation energies of possible vacancies, i.e. S, Ti, TiS, and double S, are investigated via total energy optimization calculations. We found that the formation of a single S vacancy was the most likely one among the considered vacancy types. While a single S vacancy results in a nonmagnetic, semiconducting character with an enhanced band gap, other vacancy types induce metallic behavior with spin polarization of 0.3-0.8 mu(B). The reactivity of pristine and defective TiS3 crystals against oxidation was investigated using conjugate gradient calculations where we considered the interaction with atomic O, O-2, and O-3. While O-2 has the lowest binding energy with 0.05-0.07 eV, O-3 forms strong bonds stable even at moderate temperatures. The strong interaction (3.9-4.0 eV) between atomic O and TiS3 results in dissociative adsorption of some O-containing molecules. In addition, the presence of S-vacancies enhances the reactivity of the surface with atomic O, whereas it had a negative effect on the reactivity with O-2 and O-3 molecules.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000354912200063 Publication Date 2015-04-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 51 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. RI., H.S., and R.T.S. acknowledge the support from TUBITAK through project 114F397. ; Approved Most recent IF: 4.536; 2015 IF: 4.772
  Call Number c:irua:126410 Serial (down) 3829
Permanent link to this record
 
 
Author Ramezanipour, F.; Greedan, J.E.; Siewenie, J.; Donaberger, R.L.; Turner, S.; Botton, G.A.
  Title A vacancy-disordered, oxygen-deficient perovskite with long-range magnetic ordering : local and average structures and magnetic properties of Sr2Fe1.5Cr0.5O5 Type A1 Journal article
  Year 2012 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
  Volume 51 Issue 4 Pages 2638-2644
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The local and average crystal structures and magnetic properties of the oxygen-deficient perovskite Sr2Fe1.5Cr0.5O5+y were studied using powder X-ray and neutron diffraction, neutron-pair distribution function analysis, and electron energy-loss spectroscopy. This material crystallizes in the cubic Pm3̅m space group, with a = 3.94491(14) Å. The oxygen vacancies are distributed randomly throughout the perovskite-type structure, and the average coordination number of the Fe(Cr) sites is 5. Refinement of the neutron diffraction data indicates y 0.05. This is in discordance with an earlier report on a material with the same nominal composition and cell constant. Electron energy-loss Cr L2,3-edge spectroscopy shows that Cr3+ is present, which is also contrary to previous speculation. Neutron-pair distribution function studies show that a brownmillerite-like model involving ordered vacancies and alternating octahedral and tetrahedral coordination at the metal sites, gives a better description of the local structure out to 5 Å. A remarkable phenomenon determined by neutron diffraction in Sr2Fe1.5Cr0.5O5 is the occurrence of a long-range G-type antiferromagnetic ordering with Tc ≈ 565 K because cubic oxygen-deficient perovskites with B-site disorder usually do not undergo transitions to magnetically ordered states. The observation of long-range antiferromagnetic order and the Tc value are in accordance with previous Mössbauer spectroscopic studies.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Easton, Pa Editor
  Language Wos 000300466300079 Publication Date 2012-01-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.857 Times cited 12 Open Access
  Notes Fwo Approved Most recent IF: 4.857; 2012 IF: 4.593
  Call Number UA @ lucian @ c:irua:95039 Serial (down) 3828
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Author Philippaerts, A.; Paulussen, S.; Breesch, A.; Turner, S.; Lebedev, O.I.; Van Tendeloo, G.; Sels, B.; Jacobs, P.
  Title Unprecedented shape selectivity in hydrogenation of triacylglycerol molecules with Pt/ZSM-5 zeolite Type A1 Journal article
  Year 2011 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit
  Volume 50 Issue 17 Pages 3947-3949
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Well tuned: ZSM-5 with platinum nanoparticles preferably hydrogenates trans fatty acids over cis isomers in model triacylglycerols for geometric reasons. The central fatty acid chain reacts faster, pointing to pore mouth adsorption in a tuning fork conformation (see picture). This conformation induces stepwise hydrogenation, resulting in fast removal of the unstable central triene, while formation of saturated chains is limited.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000289514100025 Publication Date 2011-03-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1433-7851; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 11.994 Times cited 31 Open Access
  Notes Approved Most recent IF: 11.994; 2011 IF: 13.455
  Call Number UA @ lucian @ c:irua:88381 Serial (down) 3814
Permanent link to this record
 
 
Author Yan, L.; Niu, H.; Bridges, C.A.; Marshall, P.A.; Hadermann, J.; Van Tendeloo, G.; Chalker, P.R.; Rosseinsky, M.J.
  Title Unit-cell-level assembly of metastable transition-metal oxides by pulsed-laser deposition Type A1 Journal article
  Year 2007 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit
  Volume 46 Issue 24 Pages 4539-4542
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000247500600026 Publication Date 2007-05-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1433-7851;1521-3773; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 11.994 Times cited 16 Open Access
  Notes Approved Most recent IF: 11.994; 2007 IF: 10.031
  Call Number UA @ lucian @ c:irua:65593 Serial (down) 3812
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Author Kazakov, S.M.; Abakumov, A.M.; Perz-Mato, J.M.; Ovchinnikov, A.V.; Roslova, M.V.; Boltalin, A.I.; Morozov, I.V.; Antipov, E.V.; Van Tendeloo, G.
  Title Uniform patterns of Fe-vacancy ordering in the Kx(Fe,Co)2-ySe2 superconductors Type A1 Journal article
  Year 2011 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 23 Issue 19 Pages 4311-4316
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The Fe-vacancy ordering patterns in the superconducting KxFe2ySe2 and nonsuperconducting Kx(Fe,Co)2ySe2 samples have been investigated by electron diffraction and high angle annular dark field scanning transmission electron microscopy. The Fe-vacancy ordering occurs in the ab plane of the parent ThCr2Si2-type structure, demonstrating two types of patterns. Superstructure I retains the tetragonal symmetry and can be described with the aI = bI = as√5 (as is the unit cell parameter of the parent ThCr2Si2-type structure) supercell and I4/m space group. Superstructure II reduces the symmetry to orthorhombic with the aII = as√2, bII = 2as√2 supercell and the Ibam space group. This type of superstructure is observed for the first time in KxFe2ySe2. The Fe-vacancy ordering is inhomogeneous: the disordered areas interleave with the superstructures I and II in the same crystallite. The observed superstructures represent the compositionally dependent uniform ordering patterns of two species (the Fe atoms and vacancies) on a square lattice. More complex uniform ordered configurations, including compositional stripes, can be predicted for different chemical compositions of the KxFe2ySe2 (0 < y < 0.5) solid solutions.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000295487800005 Publication Date 2011-09-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.466 Times cited 20 Open Access
  Notes Approved Most recent IF: 9.466; 2011 IF: 7.286
  Call Number UA @ lucian @ c:irua:92805 Serial (down) 3810
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Author Zeng, Y.I.; Menghini, M.; Li, D.Y.; Lin, S.S.; Ye, Z.Z.; Hadermann, J.; Moorkens, T.; Seo, J.W.; Locquet, J.-P.; van Haesendonck, C.
  Title Unexpected optical response of single ZnO nanowires probed using controllable electrical contacts Type A1 Journal article
  Year 2011 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
  Volume 13 Issue 15 Pages 6931-6935
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Relying on combined electron-beam lithography and lift-off methods Au/Ti bilayer electrical contacts were attached to individual ZnO nanowires (NWs) that were grown by a vapor phase deposition method. Reliable Schottky-type as well as ohmic contacts were obtained depending on whether or not an ion milling process was used. The response of the ZnO NWs to ultraviolet light was found to be sensitive to the type of contacts. The intrinsic electronic properties of the ZnO NWs were studied in a field-effect transistor configuration. The transfer characteristics, including gate threshold voltage, hysteresis and operational mode, were demonstrated to unexpectedly respond to visible light. The origin of this effect could be accounted for by the presence of point defects in the ZnO NWs.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000288951000019 Publication Date 2011-03-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9076;1463-9084; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.123 Times cited 7 Open Access
  Notes Approved Most recent IF: 4.123; 2011 IF: 3.573
  Call Number UA @ lucian @ c:irua:89378 Serial (down) 3807
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Author McCalla, E.; Sougrati, M.T.; Rousse, G.; Berg, E.J.; Abakumov, A.; Recham, N.; Ramesha, K.; Sathiya, M.; Dominko, R.; Van Tendeloo, G.; Novák, P.; Tarascon, J.M.;
  Title Understanding the roles of anionic redox and oxygen release during electrochemical cycling of lithium-rich layered Li4FeSbO6 Type A1 Journal article
  Year 2015 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc
  Volume 137 Issue 137 Pages 4804-4814
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Li-rich oxides continue to be of immense interest as potential next generation Li-ion battery positive electrodes, and yet the role of oxygen during cycling is still poorly understood. Here, the complex electrochemical behavior of Li4FeSbO6 materials is studied thoroughly with a variety of methods. Herein, we show that oxygen release occurs at a distinct voltage plateau from the peroxo/superoxo formation making this material ideal for revealing new aspects of oxygen redox processes in Li-rich oxides. Moreover, we directly demonstrate the limited reversibility of the oxygenated species (O-2(n-); n = 1, 2, 3) for the first time. We also find that during charge to 4.2 V iron is oxidized from +3 to an unusual +4 state with the concomitant formation of oxygenated species. Upon further charge to 5.0 V, an oxygen release process associated with the reduction of iron +4 to +3 is present, indicative of the reductive coupling mechanism between oxygen and metals previously reported. Thus, in full state of charge, lithium removal is fully compensated by oxygen only, as the iron and antimony are both very close to their pristine states. Besides, this charging step results in complex phase transformations that are ultimately destructive to the crystallinity of the material. Such findings again demonstrate the vital importance of fully understanding the behavior of oxygen in such systems. The consequences of these new aspects of the electrochemical behavior of lithium-rich oxides are discussed in detail.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000353177100036 Publication Date 2015-03-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 13.858 Times cited 86 Open Access
  Notes Approved Most recent IF: 13.858; 2015 IF: 12.113
  Call Number c:irua:126019 Serial (down) 3805
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