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Author Galván-Moya, J.E.; Altantzis, T.; Nelissen, K.; Peeters, F.M.; Grzelczak, M.; Liz-Marán, L.M.; Bals, S.; Van Tendeloo, G.
Title Self-organization of highly symmetric nanoassemblies : a matter of competition Type A1 Journal article
Year 2014 Publication ACS nano Abbreviated Journal Acs Nano
Volume 8 Issue 4 Pages 3869-3875
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract The properties and applications of metallic nanoparticles are inseparably connected not only to their detailed morphology and composition but also to their structural configuration and mutual interactions. As a result, the assemblies often have superior properties as compared to individual nanoparticles. Although it has been reported that nanoparticles can form highly symmetric clusters, if the configuration can be predicted as a function of the synthesis parameters, more targeted and accurate synthesis will be possible. We present here a theoretical model that accurately predicts the structure and configuration of self-assembled gold nanoclusters. The validity of the model is verified using quantitative experimental data extracted from electron tomography 3D reconstructions of different assemblies. The present theoretical model is generic and can in principle be used for different types of nanoparticles, providing a very wide window of potential applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000334990600084 Publication Date 2014-03-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1936-0851;1936-086X; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 13.942 Times cited 34 Open Access OpenAccess
Notes FWO; Methusalem; 246791 COUNTATOMS; 335078 COLOURATOM; 262348 ESMI; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 13.942; 2014 IF: 12.881
Call Number UA @ lucian @ c:irua:116955 Serial 2977
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Author Ustarroz, J.; Altantzis, T.; Hammons, J.A.; Hubin, A.; Bals, S.; Terryn, H.
Title The role of nanocluster aggregation, coalescence, and recrystallization in the electrochemical deposition of platinum nanostructures Type A1 Journal article
Year 2014 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 26 Issue 7 Pages 2396-2406
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract By using an optimized characterization approach that combines aberration-corrected transmission electron microscopy, electron tomography, and in situ ultrasmall angle X-ray scattering (USAXS), we show that the early stages of Pt electrochemical growth on carbon substrates may be affected by the aggregation, self-alignment, and partial coalescence of nanoclusters of d ≈ 2 nm. The morphology of the resulting nanostructures depends on the degree of coalescence and recrystallization of nanocluster aggregates, which in turn depends on the electrodeposition potential. At low overpotentials, a self-limiting growth mechanism may block the epitaxial growth of primary nanoclusters and results in loose dendritic aggregates. At more negative potentials, the extent of nanocluster coalescence and recrystallization is larger and further growth by atomic incorporation may be allowed. On one hand, this suggests a revision of the VolmerWeber island growth mechanism. Whereas this theory has traditionally assumed direct attachment as the only growth mechanism, it is suggested that nanocluster self-limiting growth, aggregation, and coalescence should also be taken into account during the early stages of nanoscale electrodeposition. On the other hand, depending on the deposition potential, ultrahigh porosities can be achieved, turning electrodeposition in an ideal process for highly active electrocatalyst production without the need of using high surface area carbon supports.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000334572300026 Publication Date 2014-03-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 55 Open Access Not_Open_Access
Notes FWO; contract no. FWOAL527 Approved Most recent IF: 9.466; 2014 IF: 8.354
Call Number UA @ lucian @ c:irua:116956 Serial 2916
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Author De Schutter, B.; Devulder, W.; Schrauwen, A.; van Stiphout, K.; Perkisas, T.; Bals, S.; Vantomme, A.; Detavernier, C.
Title Phase formation in intermixed NiGe thin films : influence of Ge content and low-temperature nucleation of hexagonal nickel germanides Type A1 Journal article
Year 2014 Publication Microelectronic engineering Abbreviated Journal Microelectron Eng
Volume 120 Issue Pages 168-173
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract In this study, we focus on phase formation in intermixed NiGe thin films as they represent a simplified model of the small intermixed interface layer that is believed to form upon deposition of Ni on Ge and where initial phase formation happens. A combinatorial sputter deposition technique was used to co-deposit a range of intermixed NiGe thin films with Ge concentrations varying between 0 and 50 at.%Ge in a single deposition on both Ge (100) and inert SiO2 substrates. In situ X-ray diffraction and transmission electron microscopy where used to study phase formation. In almost the entire composition range under investigation, crystalline phases where found to be present in the as-deposited films. Between 36 and 48 at.%Ge, high-temperature hexagonal nickel germanides were found to occur metastabily below 300 °C, both on SiO2 and Ge (100) substrates. For Ge concentrations in the range between 36 and 42 at.%, this hexagonal germanide phase was even found to be present at room temperature in the as-deposited films. The results obtained in this work could provide more insight in the phase sequence of a pure Ni film on Ge.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000336697300028 Publication Date 2013-09-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0167-9317; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 1.806 Times cited 9 Open Access Not_Open_Access
Notes FWO project Nr. G076112N Approved Most recent IF: 1.806; 2014 IF: 1.197
Call Number UA @ lucian @ c:irua:116958 Serial 2584
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Author Smondyrev, M.A.; Vansant, P.; Peeters, F.M.; Devreese, J.T.
Title Nonlinear Schrödinger equation on a circle Type A1 Journal article
Year 1995 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 52 Issue 15 Pages 11231-11237
Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract The nonlinear Schrodinger equation is solved on an infinitesimal thin ring or circle. We obtained the exact real wave functions with their corresponding energies for the ground state and the excited states. Critical values of the circle perimeter are found at which the ground state changes its structure and additional higher excited states appear. Also, the complex wave functions that correspond to energy levels with finite angular momentum are studied.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1995TA85200087 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 3.736 Times cited 5 Open Access
Notes Approved PHYSICS, APPLIED 47/145 Q2 #
Call Number UA @ lucian @ c:irua:11697 Serial 2356
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Author Shi, J.M.; Peeters, F.M.; Devreese, J.T.; Imanaka, Y.; Miura, N.
Title Magnetopolaron effect on the donor transition energies in ZnSe Type A1 Journal article
Year 1995 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 52 Issue Pages 17205-17209
Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1995TN92700040 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 3.736 Times cited 7 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:11698 Serial 1926
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Author Buczyńska, A.J.; Krata, A.; Van Grieken, R.; Brown, A.; Polezer, G.; De Wael, K.; Potgieter-Vermaak, S.
Title Composition of PM2.5 and PM1 on high and low pollution event days and its relation to indoor air quality in a home for the elderly Type A1 Journal article
Year 2014 Publication The science of the total environment Abbreviated Journal Sci Total Environ
Volume 490 Issue Pages 134-143
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Many studies probing the link between air quality and health have pointed towards associations between particulate matter (PM) exposure and decreased lung function, aggravation of respiratory diseases like asthma, premature death and increased hospitalisation admissions for the elderly and individuals with cardiopulmonary diseases. Of recent, it is believed that the chemical composition and physical properties of PM may contribute significantly to these adverse health effects. As part of a Belgian Science Policy project (Health effects of particulate matter in relation to physicalchemical characteristics and meteorology), the chemical composition (elemental and ionic compositions) and physical properties (PM mass concentrations) of PM were investigated, indoors and outdoors of old age homes in Antwerp. The case reported here specifically relates to high versus normal/low pollution event periods. PM mass concentrations for PM1 and PM2.5 fractions were determined gravimetrically after collection via impaction. These same samples were hence analysed by EDXRF spectrometry and IC for their elemental and ionic compositions, respectively. During high pollution event days, PM mass concentrations inside the old age home reached 53 μg m− 3 and 32 μg m− 3 whilst outside concentrations were 101 μg m− 3 and 46 μg m− 3 for PM2.5 and PM1, respectively. The sum of nss-sulphate, nitrate and ammonium, dominate the composition of PM, and contribute the most towards an increase in the PM during the episode days constituting 64% of ambient PM2.5 (52 μg m− 3) compared to 39% on non-episode days (10 μg m− 3). Other PM components, such as mineral dust, sea salt or heavy metals were found to be considerably higher during PM episodes but relatively less important. Amongst heavy metals Zn and Pb were found at the highest concentrations in both PM2.5 and PM1. Acidbase ionic balance equations were calculated and point to acidic aerosols during event days and acidic to alkaline aerosols during non-event days. No significant sources of indoor pollutants could be identified inside the old-age home as high correlations were found between outdoor and indoor PM, confirming mainly the outdoor origin of indoor air.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000347293800015 Publication Date 2014-05-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0048-9697 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 4.9 Times cited 27 Open Access
Notes ; The work reported in this paper was financed by the Belgian Science Policy under the Science for Sustainable Development programme (SD/HE/01), the Flemish Scientific Fund (FWO:G.0873.11). We thank the direction and staff of the elderly homes for their support. The authors are thankful to the partners of the project Lotte Jacobs, Tim Nawrot and Benoit Nemery for taking care of project organization, Andy Delcoo, Jo Dewulf and Hugo De Backer from Royal Meteorological Institute, Brussels, Belgium for supplying the meteorological data. We acknowledge Dr. Laszlo Bencs for assistance regarding backward trajectory analyses and two reviewers for their constructive comments. The authors gratefully acknowledge the NOAA Air Resources Laboratory (ARL) for the provision of the HYSPLIT transport and dispersion model and/or READY website (http://www.ready.noaa.gov) used in this publication. ; Approved Most recent IF: 4.9; 2014 IF: 4.099
Call Number UA @ admin @ c:irua:117005 Serial 5544
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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.;
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 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 (up) 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
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Author Li, D.Y.; Zeng, Y.J.; Batuk, D.; Pereira, L.M.C.; Ye, Z.Z.; Fleischmann, C.; Menghini, M.; Nikitenko, S.; Hadermann, J.; Temst, K.; Vantomme, A.; Van Bael, M.J.; Locquet, J.P.; Van Haesendonck, C.;
Title Relaxor ferroelectricity and magnetoelectric coupling in ZnOCo nanocomposite thin films : beyond multiferroic composites Type A1 Journal article
Year 2014 Publication ACS applied materials and interfaces Abbreviated Journal Acs Appl Mater Inter
Volume 6 Issue 7 Pages 4737-4742
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract ZnOCo nanocomposite thin films are synthesized by combination of pulsed laser deposition of ZnO and Co ion implantation. Both superparamagnetism and relaxor ferroelectricity as well as magnetoelectric coupling in the nanocomposites have been demonstrated. The unexpected relaxor ferroelectricity is believed to be the result of the local lattice distortion induced by the incorporation of the Co nanoparticles. Magnetoelectric coupling can be attributed to the interaction between the electric dipole moments and the magnetic moments, which are both induced by the incorporation of Co. The introduced ZnOCo nanocomposite thin films are different from conventional strain-mediated multiferroic composites.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000334572800018 Publication Date 2014-03-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1944-8244;1944-8252; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 7.504 Times cited 21 Open Access
Notes Approved Most recent IF: 7.504; 2014 IF: 6.723
Call Number UA @ lucian @ c:irua:117063 Serial 2864
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Author Alaria, J.; Borisov, P.; Dyer, M.S.; Manning, T.D.; Lepadatu, S.; Cain, M.G.; Mishina, E.D.; Sherstyuk, N.E.; Ilyin, N.A.; Hadermann, J.; Lederman, D.; Claridge, J.B.; Rosseinsky, M.J.;
Title Engineered spatial inversion symmetry breaking in an oxide heterostructure built from isosymmetric room-temperature magnetically ordered components Type A1 Journal article
Year 2014 Publication Chemical science Abbreviated Journal Chem Sci
Volume 5 Issue 4 Pages 1599-1610
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Royal Society of Chemistry Place of Publication Cambridge Editor
Language Wos 000332467400044 Publication Date 2014-01-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2041-6520;2041-6539; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 8.668 Times cited 24 Open Access
Notes Approved Most recent IF: 8.668; 2014 IF: 9.211
Call Number UA @ lucian @ c:irua:117064 Serial 1045
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Author Zhang, F.; Vanmeensel, K.; Inokoshi, M.; Batuk, M.; Hadermann, J.; Van Meerbeek, B.; Naert, I.; Vleugels, J.
Title 3Y-TZP ceramics with improved hydrothermal degradation resistance and fracture toughness Type A1 Journal article
Year 2014 Publication Journal of the European Ceramic Society Abbreviated Journal J Eur Ceram Soc
Volume 34 Issue 10 Pages 2453-2463
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Different factors such as the way of incorporating the Y2O3 stabilizer, alumina addition and sintering temperature were assessed with the goal to improve the low temperature degradation (LTD) resistance of 3Y-TZP without compromising on the mechanical properties. The degradation of hydrothermally treated specimens was studied by X-ray diffraction, micro-Raman spectroscopy and scanning electron microscopy. Decreasing the sintering temperature decreased the LTD susceptibility of 3Y-TZPs but did not allow to obtain a LTD resistant 3Y-TZP with optimized mechanical properties. Alumina addition along with the use of Y2O3 stabilizer coated starting powder allowed to combine both an excellent toughness and LTD resistance, as compared to alumina-free and stabilizer co-precipitated powder based equivalents. Transmission electron microscopy revealed that the improved LTD resistance could be attributed to the segregation of Al3+ at the grain boundary and the heterogeneously distributed Y3+ stabilizer.
Address
Corporate Author Thesis
Publisher Place of Publication Barking Editor
Language Wos 000336352500033 Publication Date 2014-03-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0955-2219; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 48 Open Access
Notes Fwo G.0431.10n Approved Most recent IF: 3.411; 2014 IF: 2.947
Call Number UA @ lucian @ c:irua:117065 c:irua:117065 Serial 11
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Author Batuk, M.; Batuk, D.; Abakumov, A.M.; Hadermann, J.
Title Pb5Fe3TiO11Cl : a rare example of Ti(IV) in a square pyramidal oxygen coordination Type A1 Journal article
Year 2014 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 215 Issue Pages 245-252
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A new oxychloride Pb5Fe3TiO11Cl has been synthesized using the solid state method. Its crystal and magnetic structure was investigated in the 1.5550 K temperature range using electron diffraction, high angle annular dark field scanning transmission electron microscopy, atomic resolution energy dispersive X-ray spectroscopy, neutron and X-ray powder diffraction. At room temperature Pb5Fe3TiO11Cl crystallizes in the P4/mmm space group with the unit cell parameters a=3.91803(3) Å and c=19.3345(2) Å. Pb5Fe3TiO11Cl is a new n=4 member of the oxychloride perovskite-based homologous series An+1BnO3n−1Cl. The structure is built of truncated Pb3Fe3TiO11 quadruple perovskite blocks separated by CsCl-type Pb2Cl slabs. The perovskite blocks consist of two layers of (Fe,Ti)O6 octahedra sandwiched between two layers of (Fe,Ti)O5 square pyramids. The Ti4+ cations are preferentially located in the octahedral layers, however, the presence of a noticeable amount of Ti4+ in a five-fold coordination environment has been undoubtedly proven using neutron powder diffraction and atomic resolution compositional mapping. Pb5Fe3TiO11Cl is antiferromagnetically ordered below 450(10) K. The ordered Fe magnetic moments at 1.5 K are 4.06(4) μB and 3.86(5) μB on the octahedral and square-pyramidal sites, respectively.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000336891300037 Publication Date 2014-04-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 2.299 Times cited 4 Open Access
Notes Fwo G.0184.09n. Approved Most recent IF: 2.299; 2014 IF: 2.133
Call Number UA @ lucian @ c:irua:117066 Serial 3551
Permanent link to this record
 
 
Author Meert, K.W.; Morozov, V.A.; Abakumov, A.M.; Hadermann, J.; Poelman, D.; Smet, P.F.
Title Energy transfer in Eu3+ doped scheelites : use as thermographic phosphor Type A1 Journal article
Year 2014 Publication Optics express Abbreviated Journal Opt Express
Volume 22 Issue 9 Pages A961-A972
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract In this paper the luminescence of the scheelite-based CaGd2(1-x)Eu2x(WO4)4 solid solutions is investigated as a function of the Eu content and temperature. All phosphors show intense red luminescence due to the 5D0 7F2 transition in Eu3+, along with other transitions from the 5D1 and 5D0 excited states. For high Eu3+ concentrations the intensity ratio of the emission originating from the 5D1 and 5D0 levels has a non-conventional temperature dependence, which could be explained by a phonon-assisted cross-relaxation process. It is demonstrated that this intensity ratio can be used as a measure of temperature with high spatial resolution, allowing the use of these scheelites as thermographic phosphor. The main disadvantage of many thermographic phosphors, a decreasing signal for increasing temperature, is absent.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000335905300037 Publication Date 2014-04-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1094-4087; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 3.307 Times cited 47 Open Access
Notes Approved Most recent IF: 3.307; 2014 IF: 3.488
Call Number UA @ lucian @ c:irua:117067 Serial 1044
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Author Van Gaens, W.; Bogaerts, A.
Title Reaction pathways of biomedically active species in an Ar plasma jet Type A1 Journal article
Year 2014 Publication Plasma sources science and technology Abbreviated Journal Plasma Sources Sci T
Volume 23 Issue 3 Pages 035015-35027
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this paper we analyse the gas phase production and loss pathways for several biomedically active species, i.e. N2(A), O, O3, O2(a), N, H, HO2, OH, NO, NO2, N2O5, H2O2, HNO2 and HNO3, in an argon plasma jet flowing into an open humid air atmosphere. For this purpose, we employ a zero-dimensional reaction kinetics model to mimic the typical experimental conditions by fitting several parameters to experimentally measured values. These include ambient air diffusion, the gas temperature profile and power deposition along the jet effluent. We focus in detail on how the pathways of the biomedically active species change as a function of the position in the effluent, i.e. inside the discharge device, active plasma jet effluent and afterglow region far from the nozzle. Moreover, we demonstrate how the reaction kinetics and species production are affected by different ambient air humidities, total deposited power into the plasma and gas temperature along the jet. It is shown that the dominant pathways can drastically change as a function of the distance from the nozzle exit or experimental conditions.
Address
Corporate Author Thesis
Publisher Institute of Physics Place of Publication Bristol Editor
Language Wos 000337891900017 Publication Date 2014-05-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0963-0252;1361-6595; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 3.302 Times cited 34 Open Access
Notes Approved Most recent IF: 3.302; 2014 IF: 3.591
Call Number UA @ lucian @ c:irua:117075 Serial 2820
Permanent link to this record
 
 
Author Huang, S.-Z.; Jin, J.; Cai, Y.; Li, Y.; Tan, H.-Y.; Wang, H.-E.; Van Tendeloo, G.; Su, B.-L.
Title Engineering single crystalline Mn3O4 nano-octahedra with exposed highly active {011} facets for high performance lithium ion batteries Type A1 Journal article
Year 2014 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 6 Issue 12 Pages 6819-6827
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Well shaped single crystalline Mn3O4 nano-octahedra with exposed highly active {011} facets at different particle sizes have been synthesized and used as anode materials for lithium ion batteries. The electrochemical results show that the smallest sized Mn3O4 nano-octahedra show the best cycling performance with a high initial charge capacity of 907 mA h g−1 and a 50th charge capacity of 500 mA h g−1 at a current density of 50 mA g−1 and the best rate capability with a charge capacity of 350 mA h g−1 when cycled at 500 mA g−1. In particular, the nano-octahedra samples demonstrate a much better electrochemical performance in comparison with irregular shaped Mn3O4 nanoparticles. The best electrochemical properties of the smallest Mn3O4 nano-octahedra are ascribed to the lower charge transfer resistance due to the exposed highly active {011} facets, which can facilitate the conversion reaction of Mn3O4 and Li owing to the alternating Mn and O atom layers, resulting in easy formation and decomposition of the amorphous Li2O and the multi-electron reaction. On the other hand, the best electrochemical properties of the smallest Mn3O4 nano-octahedra can also be attributed to the smallest size resulting in the highest specific surface area, which provides maximum contact with the electrolyte and facilitates the rapid Li-ion diffusion at the electrode/electrolyte interface and fast lithium-ion transportation within the particles. The synergy of the exposed {011} facets and the smallest size (and/or the highest surface area) led to the best performance for the Mn3O4 nano-octahedra. Furthermore, HRTEM observations verify the oxidation of MnO to Mn3O4 during the charging process and confirm that the Mn3O4 octahedral structure can still be partly maintained after 50 dischargecharge cycles. The high Li-ion storage capacity and excellent cycling performance suggest that Mn3O4 nano-octahedra with exposed highly active {011} facets could be excellent anode materials for high-performance lithium-ion batteries.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000337143900072 Publication Date 2014-04-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2040-3364;2040-3372; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited 80 Open Access
Notes Approved Most recent IF: 7.367; 2014 IF: 7.394
Call Number UA @ lucian @ c:irua:117076 Serial 1047
Permanent link to this record
 
 
Author Clark, L.; Béché, A.; Guzzinati, G.; Verbeeck, J.
Title Quantitative measurement of orbital angular momentum in electron microscopy Type A1 Journal article
Year 2014 Publication Physical review : A : atomic, molecular and optical physics Abbreviated Journal Phys Rev A
Volume 89 Issue 5 Pages 053818
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Electron vortex beams have been predicted to enable atomic scale magnetic information measurement, via transfer of orbital angular momentum. Research so far has focused on developing production techniques and applications of these beams. However, methods to measure the outgoing orbital angular momentum distribution are also a crucial requirement towards this goal. Here, we use a method to obtain the orbital angular momentum decomposition of an electron beam, using a multipinhole interferometer. We demonstrate both its ability to accurately measure orbital angular momentum distribution, and its experimental limitations when used in a transmission electron microscope.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000335826300012 Publication Date 2014-05-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1050-2947;1094-1622; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 2.925 Times cited 23 Open Access
Notes 7th Framework Program (FP7); ERC Starting Grant No. 278510- VORTEX 7th Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative (Reference No. 312483 ESTEEM2). 7th Framework Program (FP7), ERC Grant No. 246791- COUNTATOMS. SP – 053818-1; esteem2jra3 ECASJO; Approved Most recent IF: 2.925; 2014 IF: 2.808
Call Number UA @ lucian @ c:irua:117093UA @ admin @ c:irua:117093 Serial 2758
Permanent link to this record
 
 
Author Verbruggen, S.W.; Deng, S.; Kurttepeli, M.; Cott, D.J.; Vereecken, P.M.; Bals, S.; Martens, J.A.; Detavernier, C.; Lenaerts, S.
Title Photocatalytic acetaldehyde oxidation in air using spacious TiO2 films prepared by atomic layer deposition on supported carbonaceous sacrificial templates Type A1 Journal article
Year 2014 Publication Applied catalysis : B : environmental Abbreviated Journal Appl Catal B-Environ
Volume 160 Issue Pages 204-210
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL)
Abstract Supported carbon nanosheets and carbon nanotubes served as sacrificial templates for preparing spacious TiO2 photocatalytic thin films. Amorphous TiO2 was deposited conformally on the carbonaceous template material by atomic layer deposition (ALD). Upon calcination at 550 °C, the carbon template was oxidatively removed and the as-deposited continuous amorphous TiO2 layers transformed into interlinked anatase nanoparticles with an overall morphology commensurate to the original template structure. The effect of type of template, number of ALD cycles and gas residence time of pollutant on the photocatalytic activity, as well as the stability of the photocatalytic performance of these thin films was investigated. The TiO2 films exhibited excellent photocatalytic activity toward photocatalytic degradation of acetaldehyde in air as a model reaction for photocatalytic indoor air pollution abatement. Optimized films outperformed a reference film of commercial PC500.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000340687900024 Publication Date 2014-05-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0926-3373; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 9.446 Times cited 37 Open Access OpenAccess
Notes 335078 Colouratom; Iap-Pai P7/05; Fwo; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); Approved Most recent IF: 9.446; 2014 IF: 7.435
Call Number UA @ lucian @ c:irua:117094 Serial 2608
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Author Boneschanscher, M.P.; Evers, W.H.; Geuchies, J.J.; Altantzis, T.; Goris, B.; Rabouw, F.T.; van Rossum, S.A.P.; van der Zant, H.S.J.; Siebbeles, L.D.A.; Van Tendeloo, G.; Swart, I.; Hilhorst, J.; Petukhov, A.V.; Bals, S.; Vanmaekelbergh, D.;
Title Long-range orientation and atomic attachment of nanocrystals in 2D honeycomb superlattices Type A1 Journal article
Year 2014 Publication Science Abbreviated Journal Science
Volume 344 Issue 6190 Pages 1377-1380
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Oriented attachment of synthetic semiconductor nanocrystals is emerging as a route for obtaining new semiconductors that can have Dirac-type electronic bands like graphene, but also strong spin-orbit coupling. The two-dimensional assembly geometry will require both atomic coherence and long-range periodicity of the superlattices. We show how the interfacial self-assembly and oriented attachment of nanocrystals results in two-dimensional (2D) metal chalcogenide semiconductors with a honeycomb superlattice. We present an extensive atomic and nanoscale characterization of these systems using direct imaging and wave scattering methods. The honeycomb superlattices are atomically coherent, and have an octahedral symmetry that is buckled; the nanocrystals occupy two parallel planes. Considerable necking and large-scale atomic motion occurred during the attachment process.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000337531700035 Publication Date 2014-05-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0036-8075;1095-9203; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 37.205 Times cited 304 Open Access OpenAccess
Notes Fwo; 262348 Esmi; 246791 Countatoms; 335078 Colouratom; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); Approved Most recent IF: 37.205; 2014 IF: 33.611
Call Number UA @ lucian @ c:irua:117095 Serial 1840
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Author Khazzan, S.; Bessais, L.; Van Tendeloo, G.; Mliki, N.
Title Correlation between the nanocrystalline Sm(Fe,Mo)12 and its out of equilibrium phase Sm(Fe,Mo)10 Type A1 Journal article
Year 2014 Publication Journal of magnetism and magnetic materials Abbreviated Journal J Magn Magn Mater
Volume 363 Issue Pages 125-132
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Nanostructured Sm-Fe-Mo semi-hard magnetic material exhibiting enhanced magnetic properties can be produced by ball milling followed by recrystallization. Milled samples were annealed for 30 min in a vacuum at different temperatures (T-A) between 700 and 1190 degrees C. The effects of heat treatment and Mo content on structural and magnetic property changes have been investigated by means of X-ray diffraction using the Rietvekl method, transmission electron microscopy and magnetic measurements. For samples annealed at T-A > 900 degrees C the tetragonal ThMn12-type structure is identified, while for 700 < T-A < 900 degrees C a new out of equilibrium P6/mmm type structure was found as the major phase. This novel nanocrystalline phase has never been synthesized before. The correspondent stoichiometry is determined on the basis of the vacancy model. The Rietveld analysis gives a stoichiometry ratio equal to 1:10, for the out of equilibrium hexagonal phase, which is described with three crystallographic transition metal sites: 3g is fully occupied, 61 occupation is limited to hexagons surrounding the Fe dumbbell pairs 2e. We have performed a magnetic and structural study of nanocrystalline metastable P6/mrnm Sm(Fe1-xMo)(10), correlated with structural transformation towards its equilibrium derivative 14/mrnm Sm(Fe1-xMo)(12). A maximum of the coercive field H-C (H-C > 5 kOe) has been observed for the new hexagonal P6/rnmm phase suggesting that nanocrystalline Sm(Fe,Mo)(10), is a semi hard material, and is potential candidate for magnetic recording. (C) 2014 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000335393900021 Publication Date 2014-04-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-8853; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 2.63 Times cited 6 Open Access
Notes Approved Most recent IF: 2.63; 2014 IF: 1.970
Call Number UA @ lucian @ c:irua:117139 Serial 524
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Author Smits, M.; Huygh, D.; Craeye, B.; Lenaerts, S.
Title Effect of process parameters on the photocatalytic soot degradation on self-cleaning cementitious materials Type A1 Journal article
Year 2014 Publication Catalysis today Abbreviated Journal Catal Today
Volume 230 Issue Pages 250-255
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL); Energy and Materials in Infrastructure and Buildings (EMIB)
Abstract Soot deposition has the negative ability to devalue the aesthetic appearance of buildings. Titanium dioxide applied on the building material is one way to counteract this problem as it provides air-purifying and self-cleaning properties due to its photocatalytic activity. In literature, photocatalytic soot oxidation was described, but until now, little information was available about the influence of process parameters on the photocatalytic degradation efficiency. The influence of three process parameters was tested in this study, namely TiO2 concentration, soot concentration and water-to-cement ratio (WIC-ratio) of the mortar substrates. The results revealed 50 mu gTiO(2) cm(-2) is better to use on the cementitious materials than 250 mu gTiO(2) cm(-2). The soot concentrations occurring in real-world situations will not inhibit the photocatalyst to be activated by light. Furthermore, the photonic efficiency increases slightly for lower WIC-ratios. This can be of interest for structural building applications, since a lower WIC-ratio results in a lower porosity of the samples and consequently in an increase in mortar strength. (C) 2013 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000333800300039 Publication Date 2013-10-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0920-5861 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 4.636 Times cited 14 Open Access
Notes ; This work was supported by a PhD grant (M. Smits) from the University of Antwerp. We would like to thank T. Tytgat for the scientific discussion and Evonik for delivering the materials used in the experiments. ; Approved Most recent IF: 4.636; 2014 IF: 3.893
Call Number UA @ admin @ c:irua:117142 Serial 5946
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Author Chen, Z.; Bogaerts, A.
Title Response to “Comment on 'Laser ablation of Cu and plume expansion into 1 atm ambient gas'” [J. Appl. Phys. 115, 166101 (2014)] Type Editorial
Year 2014 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 115 Issue 16 Pages 166102
Keywords Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000335228400092 Publication Date 2014-05-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979;1089-7550; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 1 Open Access
Notes Approved Most recent IF: 2.068; 2014 IF: 2.183
Call Number UA @ lucian @ c:irua:117171 Serial 2898
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Author Velimirovic, M.; Carniato, L.; Simons, Q.; Schoups, G.; Seuntjens, P.; Bastiaens, L.
Title Corrosion rate estimations of microscale zerovalent iron particles via direct hydrogen production measurements Type A1 Journal article
Year 2014 Publication Journal of hazardous materials Abbreviated Journal
Volume 270 Issue Pages 18-26
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract In this study, the aging behavior of microscale zerovalent iron (mZVI) particles was investigated by quantifying the hydrogen gas generated by anaerobic mZVI corrosion in batch degradation experiments. Granular iron and nanoscale zerovalent iron (nZVI) particles were included in this study as controls. Firstly, experiments in liquid medium (without aquifer material) were performed and revealed that mZV1 particles have approximately a 10-30 times lower corrosion rate than nZVI particles. A good correlation was found between surface area normalized corrosion rate (R-SA) and reaction rate constants (K-SA) of PCE, TCE, cDCE and 1,1,1-TCA. Generally, particles with higher degradation rates also have faster corrosion rates, but exceptions do exists. In a second phase, the hydrogen evolution was also monitored during batch tests in the presence of aquifer material and real groundwater. A 4-9 times higher corrosion rate of mZV1 particles was observed under the natural environment in comparison with the aquifer free artificial condition, which can be attributed to the low pH of the aquifer and its buffer capacity. A corrosion model was calibrated on the batch experiments to take into account the inhibitory effects of the corrosion products (dissolved iron, hydrogen and OH-) on the iron corrosion rate. (C) 2014 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000335109200003 Publication Date 2014-02-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3894 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:117179 Serial 7738
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Author Kundu, P.; Heidari, H.; Bals, S.; Ravishankar, N.; Van Tendeloo, G.
Title Formation and thermal stability of gold-silica nanohybrids : insight into the mechanism and morphology by electron tomography Type A1 Journal article
Year 2014 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit
Volume 53 Issue 15 Pages 3970-3974
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Gold-silica hybrids are appealing in different fields of applications like catalysis, sensorics, drug delivery, and biotechnology. In most cases, the morphology and distribution of the heterounits play significant roles in their functional behavior. Methods of synthesizing these hybrids, with variable ordering of the heterounits, are replete; however, a complete characterization in three dimensions could not be achieved yet. A simple route to the synthesis of Au-decorated SiO2 spheres is demonstrated and a study on the 3D ordering of the heterounits by scanning transmission electron microscopy (STEM) tomography is presentedat the final stage, intermediate stages of formation, and after heating the hybrid. The final hybrid evolves from a soft self-assembled structure of Au nanoparticles. The hybrid shows good thermal stability up to 400 degrees C, beyond which the Au particles start migrating inside the SiO2 matrix. This study provides an insight in the formation mechanism and thermal stability of the structures which are crucial factors for designing and applying such hybrids in fields of catalysis and biotechnology. As the method is general, it can be applied to make similar hybrids based on SiO2 by tuning the reaction chemistry as needed.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000333634800036 Publication Date 2014-03-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1433-7851; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 11.994 Times cited 10 Open Access OpenAccess
Notes This research has received funding from the European Community’s Seventh Framework Program (ERC; grant number 246791)— COUNTATOMS, COLOURATOMS, as well as from the IAP 7/05 Programme initiated by the Belgian Science Policy Office. Funding from the Department of Science and Technology (DST) is also acknowledged.; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 11.994; 2014 IF: 11.261
Call Number UA @ lucian @ c:irua:117186 Serial 1251
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Author Xu, P.; Neek-Amal, M.; Barber, S.D.; Schoelz, J.K.; Ackerman, M.L.; Thibado, P.M.; Sadeghi, A.; Peeters, F.M.
Title Unusual ultra-low-frequency fluctuations in freestanding graphene Type A1 Journal article
Year 2014 Publication Nature communications Abbreviated Journal Nat Commun
Volume 5 Issue Pages 3720
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Intrinsic ripples in freestanding graphene have been exceedingly difficult to study. Individual ripple geometry was recently imaged using scanning tunnelling microscopy, but these measurements are limited to static configurations. Thermally-activated flexural phonon modes should generate dynamic changes in curvature. Here we show how to track the vertical movement of a one-square-angstrom region of freestanding graphene using scanning tunnelling microscopy, thereby allowing measurement of the out-of-plane time trajectory and fluctuations over long time periods. We also present a model from elasticity theory to explain the very-low-frequency oscillations. Unexpectedly, we sometimes detect a sudden colossal jump, which we interpret as due to mirror buckling. This innovative technique provides a much needed atomic-scale probe for the time-dependent behaviours of intrinsic ripples. The discovery of this novel progenitor represents a fundamental advance in the use of scanning tunnelling microscopy, which together with the application of a thermal load provides a low-frequency nano-resonator.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000335223200007 Publication Date 2014-04-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2041-1723; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 12.124 Times cited 62 Open Access
Notes ; This work was financially supported, in part, by the Office of Naval Research under grant N00014-10-1-0181, the National Science Foundation under grant DMR-0855358, the EU-Marie Curie IIF postdoc Fellowship/299855 (for M.N.-A.), the ESF-Euro-GRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ; Approved Most recent IF: 12.124; 2014 IF: 11.470
Call Number UA @ lucian @ c:irua:117201 Serial 3819
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Author Galván Moya, J.E.; Lucena, D.; Ferreira, W.P.; Peeters, F.M.
Title Magnetic particles confined in a modulated channel : structural transitions tunable by tilting a magnetic field Type A1 Journal article
Year 2014 Publication Physical review : E : statistical, nonlinear, and soft matter physics Abbreviated Journal Phys Rev E
Volume 89 Issue 3 Pages 032309-9
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The ground state of colloidal magnetic particles in a modulated channel are investigated as a function of the tilt angle of an applied magnetic field. The particles are confined by a parabolic potential in the transversal direction while in the axial direction a periodic substrate potential is present. By using Monte Carlo simulations, we construct a phase diagram for the different crystal structures as a function of the magnetic field orientation, strength of the modulated potential, and the commensurability factor of the system. Interestingly, we found first-and second-order phase transitions between different crystal structures, which can be manipulated by the orientation of the external magnetic field. A reentrant behavior is found between two-and four-chain configurations, with continuous second-order transitions. Novel configurations are found consisting of frozen solitons of defects. By changing the orientation and/or strength of the magnetic field and/or the strength and periodicity of the substrate potential, the system transits through different phases.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication Woodbury (NY) Editor
Language Wos 000333702800015 Publication Date 2014-03-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1539-3755;1550-2376; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 2.366 Times cited 11 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Methusalem programme of the Flemish government, CNPq, CAPES, FUNCAP (Pronex grant), the collaborative program CNPq-FWO-Vl, and the Brazilian program Science Without Borders CsF. Computational resources were provided by HPC infrastructure of University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC). ; Approved Most recent IF: 2.366; 2014 IF: 2.288
Call Number UA @ lucian @ c:irua:117217 Serial 1886
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Author Brito, B.G.A.; Hai, G.-Q.; Teixeira Rabelo, J.N.; Cândido, L.
Title A quantum Monte Carlo study on electron correlation in all-metal aromatic clusters MAl4 – (M = Li, Na, K, Rb, Cu, Ag and Au) Type A1 Journal article
Year 2014 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 16 Issue 18 Pages 8639-8645
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using fixed-node diffusion quantum Monte Carlo (FN-DMC) simulation we investigate the electron correlation in all-metal aromatic clusters MAl4- (with M = Li, Na, K, Rb, Cu, Ag and Au). The electron detachment energies and electron affinities of the clusters are obtained. The vertical electron detachment energies obtained from the FN-DMC calculations are in very good agreement with the available experimental results. Calculations are also performed within the Hartree-Fock approximation, density-functional theory (DFT), and the couple-cluster (CCSD(T)) method. From the obtained results, we analyse the impact of the electron correlation effects in these bimetallic clusters and find that the correlation of the valence electrons contributes significantly to the detachment energies and electron affinities, varying between 20% and 50% of their total values. Furthermore, we discuss the electron correlation effects on the stability of the clusters as well as the accuracy of the DFT and CCSD(T) calculations in the present systems.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000334602900052 Publication Date 2014-03-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076;1463-9084; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 10 Open Access
Notes ; This research was supported by CNPq, FAPESP and FAPEG (Brazil). ; Approved Most recent IF: 4.123; 2014 IF: 4.493
Call Number UA @ lucian @ c:irua:117247 Serial 2781
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Author Schütte, K.; Doddi, A.; Kroll, C.; Meyer, H.; Wiktor, C.; Gemel, C.; Van Tendeloo, G.; Fischer, R.A.; Janiak, C.
Title Colloidal nickel/gallium nanoalloys obtained from organometallic precursors in conventional organic solvents and in ionic liquids : noble-metal-free alkyne semihydrogenation catalysts Type A1 Journal article
Year 2014 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 6 Issue 10 Pages 5532-5544
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Efforts to replace noble-metal catalysts by low-cost alternatives are of constant interest. The organometallic, non-aqueous wet-chemical synthesis of various hitherto unknown nanocrystalline Ni/Ga intermetallic materials and the use of NiGa for the selective semihydrogenation of alkynes to alkenes are reported. Thermal co-hydrogenolysis of the all-hydrocarbon precursors [Ni(COD)(2)] (COD = 1,5-cyclooctadiene) and GaCp* (Cp* = pentamethylcyclopentadienyl) in high-boiling organic solvents mesitylene and n-decane in molar ratios of 1 : 1, 2 : 3 and 3 : 1 yields the nano-crystalline powder materials of the over-all compositions NiGa, Ni2Ga3 and Ni3Ga, respectively. Microwave induced co-pyrolysis of the same precursors without additional hydrogen in the ionic liquid [BMIm][BF4] (BMIm = 1-butyl-3-methyl-imidazolium) selectively yields the intermetallic phases NiGa and Ni3Ga from the respective 1 : 1 and 3 : 1 molar ratios of the precursors. The obtained materials are characterized by transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy (EDX), IR, powder X-ray diffraction (PXRD) and atomic absorption spectroscopy (AAS). The single-source precursor [Ni(GaCp*)(PMe3)(3)] with a fixed Ni : Ga stoichiometry of 1 : 1 was employed as well. In comparison with the co-hydrogenolytic dual precursor source approach it turned out to be less practical due to inefficient nickel incorporation caused by the parasitic formation of stable [Ni(PMe3)(4)]. The use of ionic liquid [BMIm][BF4] as a non-conventional solvent to control the reaction and stabilize the nanoparticles proved to be particularly advantageous and stable colloids of the nanoalloys NiGa and Ni3Ga were obtained. A phase-selective Ni/Ga colloid synthesis in conventional solvents and in the presence of surfactants such as hexadecylamine (HDA) was not feasible due to the undesired reactivity of HDA with GaCp* leading to inefficient gallium incorporation. Recyclable NiGa nanoparticles selectively semihydrogenate 1-octyne and diphenylacetylene (tolan) to 1-octene and diphenylethylene, respectively, with a yield of about 90% and selectivities of up to 94 and 87%. Ni-NPs yield alkanes with a selectivity of 97 or 78%, respectively, under the same conditions.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000335148800069 Publication Date 2014-03-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2040-3364;2040-3372; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited 40 Open Access
Notes Approved Most recent IF: 7.367; 2014 IF: 7.394
Call Number UA @ lucian @ c:irua:117251 Serial 390
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Author Tytgat, T.; Smits, M.; Lenaerts, S.; Verbruggen, S.W.
Title Immobilization of TiO2 into self-supporting photocatalytic foam : influence of calcination temperature Type A1 Journal article
Year 2014 Publication International journal of applied ceramic technology Abbreviated Journal Int J Appl Ceram Tec
Volume 11 Issue 4 Pages 714-722
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Immobilization of photocatalytic powder is crucial to obtain industrially relevant purification processes. To achieve this goal, self-supporting TiO2 foams were manufactured by a polyacrylamide gel process. These gels were calcined at different temperatures to study the effect of the calcination temperature on foam characteristics (rigidity, crystallinity, and porosity) and its influence on photocatalytic activity. The results show that an optimal degradation is achieved for those foams calcined between 700 and 800°C. Calcination at higher temperatures results in a steep decrease in activity, explained by stability issues of the material due to formation of Na2SO4 phases and a larger rutile fraction.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000339051500012 Publication Date 2013-04-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1546-542x ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 1.048 Times cited 2 Open Access
Notes ; This work was supported by a PhD grant from the Institute of Innovation by Science and Technology in Flanders (IWT). ; Approved Most recent IF: 1.048; 2014 IF: 1.320
Call Number UA @ admin @ c:irua:117295 Serial 5960
Permanent link to this record
 
 
Author Deng, S.; Verbruggen, S.W.; Lenaerts, S.; Martens, J.A.; Van den Berghe, S.; Devloo-Casier, K.; Devulder, W.; Dendoover, J.; Deduytsche, D.; Detavernier, C.
Title Controllable nitrogen doping in as deposited TiO2 film and its effect on post deposition annealing Type A1 Journal article
Year 2014 Publication Journal of vacuum science and technology: A: vacuum surfaces and films Abbreviated Journal J Vac Sci Technol A
Volume 32 Issue 1 Pages 01a123
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract In order to narrow the band gap of TiO2, nitrogen doping by combining thermal atomic layer deposition (TALD) of TiO2 and plasma enhanced atomic layer deposition (PEALD) of TiN has been implemented. By altering the ratio between TALD TiO2 and PEALD TiN, the as synthesized TiOxNy films showed different band gaps (from 1.91 eV to 3.14 eV). In situ x-ray diffraction characterization showed that the crystallization behavior of these films changed after nitrogen doping. After annealing in helium, nitrogen doped TiO2 films crystallized into rutile phase while for the samples annealed in air a preferential growth of the anatase TiO2 along (001) orientation was observed. Photocatalytic tests of the degradation of stearic acid were done to evaluate the effect of N doping on the photocatalytic activity.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000335847600023 Publication Date 2013-12-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0734-2101 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 1.374 Times cited 10 Open Access
Notes ; The authors wish to thank the Research Foundation-Flanders (FWO) for financial support. The authors acknowledge the European Research Council for funding under the European Union's Seventh Framework Programme (FP7/2007-2013)/ERC grant agreement Nos. 239865-COCOON and 246791-COUNTATO. The authors also acknowledge the support from UGENT-GOA-01G01513 and IWT-SBO SOSLion. J.A.M. acknowledges the Flemish government for long-term structural funding (Methusalem). J.D. acknowledges the Flemisch FWO for a postdoctoral fellowship. ; Approved Most recent IF: 1.374; 2014 IF: 2.322
Call Number UA @ admin @ c:irua:117296 Serial 5936
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Author Verbruggen, S.W.; Tytgat, T.; Van Passel, S.; Martens, J.A.; Lenaerts, S.
Title Cost-effectiveness analysis to assess commercial TiO2 photocatalysts for acetaldehyde degradation in air Type A1 Journal article
Year 2014 Publication Chemicke zvesti Abbreviated Journal Chem Pap
Volume 68 Issue 9 Pages 1273-1278
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract In the commercialisation of photocatalytic air purifiers, the performance as well as the cost of the catalytic material plays an important role. Where most comparative studies only regard the photocatalytic activity as a decisive parameter, in this study both activity and cost are taken into account. Using a cost-effectiveness analysis, six different commercially available TiO2-based catalysts are evaluated in terms of their activities in photocatalytic degradation of acetaldehyde as a model reaction for indoor air purification.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000336443400015 Publication Date 2014-02-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0366-6352 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 1.258 Times cited 10 Open Access
Notes ; S. W. V. wishes to thank the Research Foundation Flanders (FWO) for the financial support received. The authors are grateful to the University of Antwerp for supporting and funding this research. Evonik is sincerely thanked for providing catalyst samples for our experiments free of charge. All companies are thanked for providing specific pricing data. ; Approved Most recent IF: 1.258; 2014 IF: 1.468
Call Number UA @ admin @ c:irua:117297 Serial 6174
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Author Deng, S.; Verbruggen, S.W.; He, Z.; Cott, D.J.; Vereecken, P.M.; Martens, J.A.; Bals, S.; Lenaerts, S.; Detavernier, C.
Title Atomic layer deposition-based synthesis of photoactive TiO2 nanoparticle chains by using carbon nanotubes as sacrificial templates Type A1 Journal article
Year 2014 Publication RSC advances Abbreviated Journal Rsc Adv
Volume 4 Issue 23 Pages 11648-11653
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL)
Abstract Highly ordered and self supported anatase TiO2 nanoparticle chains were fabricated by calcining conformally TiO2 coated multi-walled carbon nanotubes (MWCNTs). During annealing, the thin tubular TiO2 coating that was deposited onto the MWCNTs by atomic layer deposition (ALD) was transformed into chains of TiO2 nanoparticles ([similar]12 nm diameter) with an ultrahigh surface area (137 cm2 per cm2 of substrate), while at the same time the carbon from the MWCNTs was removed. Photocatalytic tests on the degradation of acetaldehyde proved that these forests of TiO2 nanoparticle chains are highly photoactive under UV light because of their well crystallized anatase phase.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000332470000017 Publication Date 2014-02-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2046-2069; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 3.108 Times cited 45 Open Access Not_Open_Access
Notes ; The authors wish to thank the Research Foundation – Flanders (FWO) and UGENT-GOA-01G01513 for financial support. The authors acknowledge the European Research Council for funding under the European Union's Seventh Framework Programme (FP7/2007-2013)/ERC grant agreement no. 239865-COCOON and no. 246791-COUNTATOMS. JAM acknowledges the Flemish government for long-term structural funding (Methusalem). ; Approved Most recent IF: 3.108; 2014 IF: 3.840
Call Number UA @ lucian @ c:irua:117298 Serial 168
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