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Author Batuk, M.; Buffiere, M.; Zaghi, A.E.; Lenaers, N.; Verbist, C.; Khelifi, S.; Vleugels, J.; Meuris, M.; Hadermann, J.
Title Effect of the burn-out step on the microstructure of the solution-processed Cu(In,Ga)Se2 solar cells Type A1 Journal article
Year 2015 Publication Thin solid films : an international journal on the science and technology of thin and thick films Abbreviated Journal Thin Solid Films
Volume 583 Issue 583 Pages 142-150
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract For the development of the photovoltaic industry cheap methods for the synthesis of Cu(In,Ga)Se-2 (CIGSe) based solar cells are required. In this work, CIGSe thin films were obtained by a solution-based method using oxygen-bearing derivatives. With the aimof improving the morphology of the printed CIGSe layers, we investigated two different annealing conditions of the precursor layer, consisting of (1) a direct selenization step (reference process), and (2) a pre-treatment thermal step prior to the selenization. We showed that the use of an Air/H2S burn-out step prior to the selenization step increases the CIGSe grain size and reduces the carbon content. However, it leads to the reduction of the solar cell efficiency from 4.5% in the reference sample down to 0.5% in the annealed sample. Detailed transmission electron microscopy analysis, including high angle annular dark field scanning transmission electron microscopy and energy dispersive X-ray mapping, was applied to characterize the microstructure of the film and to determine the relationship between microstructure and the solar cell performance. We demonstrated that the relatively low efficiency of the reference solar cells is related not only to the nanosize of the CIGSe grains and presence of the pores in the CIGSe layer, but also to the high amount of secondary phases, namely, In/Ga oxide (or hydroxide) amorphous matter, residuals of organicmatter (carbon), and copper sulfide that is formed at the CIGSe/MoSe2 interface. The annealing in H2S during the burn-out step leads to the formation of the copper sulfide at all grain boundaries and surfaces in the CIGSe layer, which results in the noticeably efficiency drop. (C) 2015 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000353812400024 Publication Date 2015-04-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0040-6090; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.879 Times cited 5 Open Access
Notes Approved Most recent IF: 1.879; 2015 IF: 1.759
Call Number c:irua:126009 Serial 845
Permanent link to this record
 
 
Author Laffez, P.; Chen, X.Y.; Banerjee, G.; Pezeril, T.; Rossell, M.D.; Van Tendeloo, G.; Lacorre, P.; Liu, J.M.; Liu, Z.-G.
Title Growth of La2Mo2O9 films on porous Al2O3 substrates by radio frequency magnetron sputtering Type A1 Journal article
Year 2006 Publication Thin solid films : an international journal on the science and technology of thin and thick films Abbreviated Journal Thin Solid Films
Volume 500 Issue Pages 27-33
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000235764600006 Publication Date 2005-12-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0040-6090; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.879 Times cited 15 Open Access
Notes Approved Most recent IF: 1.879; 2006 IF: 1.666
Call Number UA @ lucian @ c:irua:57000 Serial 1396
Permanent link to this record
 
 
Author Jehanathan, N.; Georgieva, V.; Saraiva, M.; Depla, D.; Bogaerts, A.; Van Tendeloo, G.
Title The influence of Cr and Y on the micro structural evolution of Mg―Cr―O and Mg―Y―O thin films Type A1 Journal article
Year 2011 Publication Thin solid films : an international journal on the science and technology of thin and thick films Abbreviated Journal Thin Solid Films
Volume 519 Issue 16 Pages 5388-5396
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Electron microscopy for materials research (EMAT)
Abstract The compositional influence of Cr and Y on the microstructure of Mg―Cr―O, and Mg―Y―O films synthesized by reactive magnetron sputtering has been investigated by transmission electron microscopy, X-ray diffraction and molecular dynamics simulations. A decrease in crystallinity is observed in these films as the M (Cr or Y) content is increased. It is found that M forms a solid solution with MgO for metal ratios up to ~ 70% and ~ 50% for Cr and Y respectively. Above ~ 70% Cr metal ratio the Mg―Cr―O films are found to be completely amorphous. The Mg―Y―O films are composed of Mg(Y)O and Y2O3 nano crystallites, up to ~ 50% Y metal ratio. Above this ratio, only Y2O3 nano crystallites are found. The preferential < 111> MgO grain alignment is strongly affected by the increase in M content. For M metal ratios up to ~ 50%, there is a selective promotion of the < 100> MgO grain alignments and a decline in the < 111> grain alignments.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000292573500013 Publication Date 2011-02-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0040-6090; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.879 Times cited 4 Open Access
Notes Iwt Approved Most recent IF: 1.879; 2011 IF: 1.890
Call Number UA @ lucian @ c:irua:89516 Serial 1618
Permanent link to this record
 
 
Author Mahieu, S.; Ghekiere, P.; de Winter, G.; Depla, D.; de Gryse, R.; Lebedev, O.I.; Van Tendeloo, G.
Title Influence of the Ar/O2 ratio on the growth and biaxial alignment of yttria stabilized zirconia layers during reactive unbalanced magnetron sputtering Type A1 Journal article
Year 2005 Publication Thin solid films : an international journal on the science and technology of thin and thick films Abbreviated Journal Thin Solid Films
Volume 484 Issue Pages 18-25
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000230045900003 Publication Date 2005-03-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0040-6090; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.879 Times cited 23 Open Access
Notes Approved Most recent IF: 1.879; 2005 IF: 1.569
Call Number UA @ lucian @ c:irua:54879 Serial 1656
Permanent link to this record
 
 
Author Espinosa, E.H.; Lonescu, R.; Bittencourt, C.; Felten, A.; Erni, R.; Van Tendeloo, G.; Pireaux, J.-J.; Llobet, E.
Title Metal-decorated multi-wall carbon nanotubes for low temperature gas sensing Type A1 Journal article
Year 2007 Publication Thin solid films : an international journal on the science and technology of thin and thick films Abbreviated Journal Thin Solid Films
Volume 515 Issue 23 Pages 8322-8327
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam : Elsevier Editor
Language Wos 000250353700005 Publication Date 2007-03-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0040-6090; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.879 Times cited 86 Open Access
Notes Pai 5/1 Approved Most recent IF: 1.879; 2007 IF: 1.693
Call Number UA @ lucian @ c:irua:66631 Serial 2008
Permanent link to this record
 
 
Author Schryvers, D.; Yandouzi, M.; Toth, L.
Title TEM study of B2 + L12 decomposition in a nanoscale Ni-rich Ni-Al film Type A1 Journal article
Year 1998 Publication Thin solid films : an international journal on the science and technology of thin and thick films Abbreviated Journal Thin Solid Films
Volume 326 Issue Pages 126-133
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam : Elsevier Editor
Language Wos 000075693800017 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0040-6090; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.879 Times cited 1 Open Access
Notes Approved Most recent IF: 1.879; 1998 IF: 1.019
Call Number UA @ lucian @ c:irua:48371 Serial 3487
Permanent link to this record
 
 
Author Samani, M.K.; Ding, X.Z.; Khosravian, N.; Amin-Ahmadi, B.; Yi, Y.; Chen, G.; Neyts, E.C.; Bogaerts, A.; Tay, B.K.
Title Thermal conductivity of titanium nitride/titanium aluminum nitride multilayer coatings deposited by lateral rotating cathode arc Type A1 Journal article
Year 2015 Publication Thin solid films : an international journal on the science and technology of thin and thick films Abbreviated Journal Thin Solid Films
Volume 578 Issue 578 Pages 133-138
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A seriesof [TiN/TiAlN]nmultilayer coatingswith different bilayer numbers n=5, 10, 25, 50, and 100 were deposited on stainless steel substrate AISI 304 by a lateral rotating cathode arc technique in a flowing nitrogen atmosphere. The composition and microstructure of the coatings have been analyzed by using energy dispersive X-ray spectroscopy, X-ray diffraction (XRD), and conventional and high-resolution transmission electron microscopy (HRTEM). XRD analysis shows that the preferential orientation growth along the (111) direction is reduced in the multilayer coatings. TEM analysis reveals that the grain size of the coatings decreases with increasing bilayer number. HRTEMimaging of the multilayer coatings shows a high density misfit dislocation between the TiN and TiAlN layers. The cross-plane thermal conductivity of the coatings was measured by a pulsed photothermal reflectance technique. With increasing bilayer number, the multilayer coatings' thermal conductivity decreases gradually. This reduction of thermal conductivity can be ascribed to increased phonon scattering due to the disruption of columnar structure, reduced preferential orientation, decreased grain size of the coatings and present misfit dislocations at the interfaces.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000351686500019 Publication Date 2015-02-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0040-6090; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.879 Times cited 41 Open Access
Notes Approved Most recent IF: 1.879; 2015 IF: 1.759
Call Number c:irua:125517 Serial 3626
Permanent link to this record
 
 
Author Conard, T.; de Witte, H.; Loo, R.; Verheyen, P.; Vandervorst, W.; Caymax, M.; Gijbels, R.
Title XPS and TOFSIMS studies of shallow Si/Si1-xGex/Si layers Type A1 Journal article
Year 1999 Publication Thin solid films : an international journal on the science and technology of thin and thick films Abbreviated Journal Thin Solid Films
Volume 343/344 Issue Pages 583-586
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam : Elsevier Editor
Language Wos 000081103100149 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0040-6090; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.879 Times cited 1 Open Access
Notes Approved Most recent IF: 1.879; 1999 IF: 1.101
Call Number UA @ lucian @ c:irua:24934 Serial 3926
Permanent link to this record
 
 
Author Forsh, E.A.; Abakumov, A.M.; Zaytsev, V.B.; Konstantinova, E.A.; Forsh, P.A.; Rumyantseva, M.N.; Gaskov, A.M.; Kashkarov, P.K.
Title Optical and photoelectrical properties of nanocrystalline indium oxide with small grains Type A1 Journal article
Year 2015 Publication Thin solid films : an international journal on the science and technology of thin and thick films Abbreviated Journal Thin Solid Films
Volume 595 Issue 595 Pages 25-31
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Optical properties, spectral dependence of photoconductivity and photoconductivity decay in nanocrystalline indium oxide In2O3 are studied. A number of nanostructured In2O3 samples with various nanocrystals size are prepared by sol-gel method and characterized using various techniques. The mean nanocrystals size varies from 7 to 8 nm to 39-41 nm depending on the preparation conditions. Structural characterization of the In2O3 samples is performed by means of transmission electron microscopy and X-ray powder diffraction. The combined analysis of ultraviolet-visible absorption spectroscopy and diffuse reflectance spectroscopy shows that nanostructuring leads to the change in optical band gap: optical band gap of the In2O3 samples (with an average nanocrystal size from 7 to 41 nm) is equal to 2.8 eV. We find out the correlation between spectral dependence of photoconductivity and optical properties of nanocrystalline In2O3: sharp increase in photoconductivity was observed to begin at 2.8 eV that is equal to the optical bandgap in the In2O3 samples, and reached its maximum at 3.2-3.3 eV. The combined analysis of the slow photoconductivity decay in air, vacuum and argon, that was accurately fitted by a stretched-exponential function, and electron paramagnetic resonance (EPR) measurements shows that the kinetics of photoconductivity decay is strongly depended on the presence of oxygen molecules in the ambient of In2O3 nanocrystals. There is the quantitative correlation between EPR and photoconductivity data. Based on the obtained data we propose the model clearing up the phenomenon of permanent photoconductivity decay in nanocrystalline In2O3. (C) 2015 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000365812400005 Publication Date 2015-10-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0040-6090 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.879 Times cited 18 Open Access
Notes Approved Most recent IF: 1.879; 2015 IF: 1.759
Call Number UA @ lucian @ c:irua:130254 Serial 4219
Permanent link to this record
 
 
Author Oueslati, S.; Brammertz, G.; Buffiere, M.; ElAnzeery, H.; Touayar, O.; Koeble, C.; Bekaert, J.; Meuris, M.; Poortmans, J.
Title Physical and electrical characterization of high-performance Cu2ZnSnSe4 based thin film solar cells Type A1 Journal article
Year 2015 Publication Thin solid films : an international journal on the science and technology of thin and thick films Abbreviated Journal Thin Solid Films
Volume 582 Issue 582 Pages 224-228
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We report on the electrical, optical and physical properties of Cu2ZnSnSe4 solar cells using an absorber layer fabricated by selenization of sputtered Cu, Zn and Cu10Sn90 multilayers. A maximum active-area conversion efficiency of 10.4% under AM1.5G was measured with a maximum short circuit current density of 39.7 mA/cm(2), an open circuit voltage of 394 mV and a fill factor of 66.4%. We perform electrical and optical characterization using photoluminescence spectroscopy, external quantum efficiency, current-voltage and admittance versus temperature measurements in order to derive information about possible causes for the low open circuit voltage values observed. The main defects derived from these measurements are strong potential fluctuations in the absorber layer as well as a potential barrier of the order of 133 meV at the back side contact. (C) 2014 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000352225900048 Publication Date 2014-10-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0040-6090 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.879 Times cited 49 Open Access
Notes ; We would like to acknowledge Tom De Geyter, Greetje Godiers, and Guido Huyberechts from Flamac in Gent for sputtering of the metal layers. AGC is acknowledged for providing substrates. This research is partially funded by the Flemish government, Department Economy, Science and Innovation. ; Approved Most recent IF: 1.879; 2015 IF: 1.759
Call Number UA @ lucian @ c:irua:132504 Serial 4225
Permanent link to this record
 
 
Author Chizhov, A.S.; Rumyantseva, M.N.; Vasiliev, R.B.; Filatova, D.G.; Drozdov, K.A.; Krylov, I.V.; Marchevsky, A.V.; Karakulina, O.M.; Abakumov, A.M.; Gaskov, A.M.
Title Visible light activation of room temperature NO2 gas sensors based on ZnO, SnO2 and In2O3 sensitized with CdSe quantum dots Type A1 Journal article
Year 2016 Publication Thin solid films : an international journal on the science and technology of thin and thick films Abbreviated Journal Thin Solid Films
Volume 618 Issue 618 Pages 253-262
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract This work reports the analysis of visible light activation of room temperature NO2 gas sensitivity of metal oxide semiconductors (MOS): blank and CdSe quantum dots (QDs) sensitized nanocrystallinematrixes ZnO, SnO2 and In2O3. Nanocrystalline metal oxides (MOx) ZnO, SnO2, In2O3 were synthesized by the precipitation method. Colloidal CdSe QDs were obtained by high temperature colloidal synthesis. Sensitization was effectuated by direct adsorption of CdSe QDs stabilized with oleic acid on MOx surface. The role of illumination consists in generation of electrons, which can be transferred into MOx conduction band, and holes that can recombine with the electrons previously trapped by the chemisorbed acceptor species and thus activate desorption of analyte molecules. Under green light illumination for blank SnO2 and In2O3 matrixes the indirect consequential mechanism for the generation of holes is proposed. Anothermechanismis realized in the presence of CdSe QDs. In this case the electron-hole pair is generated in the CdSe quantum dot. Sensor measurements demonstrated that synthesizedmaterials can be used for NO2 detection under visible (green) light illumination at room temperature without any thermal heating.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000389164400005 Publication Date 2016-09-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0040-6090 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.879 Times cited 19 Open Access
Notes The work was financially supported by Russian Foundation for Basic Research grant no. 15-03-03026. Approved Most recent IF: 1.879
Call Number EMAT @ emat @ c:irua:138598 Serial 4321
Permanent link to this record
 
 
Author Lemberge, P.; Deraedt, I.; Janssens, K.; van Espen, P.
Title Quantitative analysis of 16-17th century archaeological glass vessels using PLS regression of EPXMA and μ-XRF data Type A1 Journal article
Year 2000 Publication Journal of chemometrics Abbreviated Journal J Chemometr
Volume 14 Issue Pages 751-763
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000090065100026 Publication Date 2002-09-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0886-9383 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.884 Times cited Open Access
Notes Approved Most recent IF: 1.884; 2000 IF: 2.081
Call Number UA @ admin @ c:irua:32405 Serial 5793
Permanent link to this record
 
 
Author Orlinskii, S.B.; Bogomolov, R.S.; Kiyamova, A.M.; Yavkin, B.V.; Mamin, G.M.; Turner, S.; Van Tendeloo, G.; Shiryaev, A.A.; Vlasov, I.I.; Shenderova, O.
Title Identification of substitutional nitrogen and surface paramagnetic centers in nanodiamond of dynamic synthesis by electron paramagnetic resonance Type A1 Journal article
Year 2011 Publication Nanoscience and nanotechnology letters Abbreviated Journal Nanosci Nanotech Let
Volume 3 Issue 1 Pages 63-67
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Production of nanodiamond particles containing substitutional nitrogen is important for a wide variety of advanced applications. In the current work nanodiamond particles synthesized from a mixture of graphite and hexogen were analyzed to determine the presence of substitutional nitrogen using pulsed electron paramagnetic resonance (EPR) spectroscopy. Nitrogen paramagnetic centers in the amount of 1.2 ppm have been identified. The spin relaxation characteristics for both nitrogen and surface defects are also reported. A new approach for efficient depletion of the strong non-nitrogen EPR signal in nanodiamond material by immersing nanodiamond particles into ice matrix is suggested. This approach allows an essential decrease of the spin relaxation time of the dominant non-nitrogen defects, while preserving the substitutional nitrogen spin relaxation time.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000293211200012 Publication Date 2011-09-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1941-4900;1941-4919; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.889 Times cited 14 Open Access
Notes Approved Most recent IF: 1.889; 2011 IF: 0.528
Call Number UA @ lucian @ c:irua:91943 Serial 1548
Permanent link to this record
 
 
Author Neyts, E.C.; Bogaerts, A.
Title Combining molecular dynamics with Monte Carlo simulations : implementations and applications Type A1 Journal article
Year 2013 Publication Theoretical chemistry accounts : theory, computation, and modeling Abbreviated Journal Theor Chem Acc
Volume 132 Issue 2 Pages 1320-12
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this contribution, we present an overview of the various techniques for combining atomistic molecular dynamics with Monte Carlo simulations, mainly in the context of condensed matter systems, as well as a brief summary of the main accelerated dynamics techniques. Special attention is given to the force bias Monte Carlo technique and its combination with molecular dynamics, in view of promising recent developments, including a definable timescale. Various examples of the application of combined molecular dynamics / Monte Carlo simulations are given, in order to demonstrate the enhanced simulation efficiency with respect to either pure molecular dynamics or Monte Carlo.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000318294700010 Publication Date 2012-12-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1432-881X;1432-2234; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.89 Times cited 27 Open Access
Notes Approved Most recent IF: 1.89; 2013 IF: 2.143
Call Number UA @ lucian @ c:irua:104725 Serial 404
Permanent link to this record
 
 
Author Phung, Q.M.; Vancoillie, S.; Delabie, A.; Pourtois, G.; Pierloot, K.
Title Ruthenocene and cyclopentadienyl pyrrolyl ruthenium as precursors for ruthenium atomic layer deposition : a comparative study of dissociation enthalpies Type A1 Journal article
Year 2012 Publication Theoretical chemistry accounts : theory, computation, and modeling Abbreviated Journal Theor Chem Acc
Volume 131 Issue 7 Pages 1238
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract RuCp2 (ruthenocene) and RuCpPy (cyclopentadienyl pyrrolyl ruthenium) complexes are used in ruthenium (Ru) atomic layer deposition (ALD) but exhibit a markedly different reactivity with respect to the substrate and co-reactant. In search of an explanation, we report here the results of a comparative study of the heterolytic and homolytic dissociation enthalpy of these two ruthenium complexes, making use of either density functional theory (DFT) or multiconfigurational perturbation theory (CASPT2). While both methods predict distinctly different absolute dissociation enthalpies, they agree on the relative values between both molecules. A reduced heterolytic dissociation enthalpy is obtained for RuCpPy compared to RuCp2, although the difference obtained from CASPT2 (19.9 kcal/mol) is slightly larger than the one obtained with any of the DFT functionals (around 17 kcal/mol). Both methods also agree on the more pronounced stability of the Cp- ligand in RuCpPy than in RuCp2 (by around 9 kcal/mol with DFT and by 6 kcal/mol with CASPT2).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000307274300003 Publication Date 2012-07-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1432-881X;1432-2234; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.89 Times cited 5 Open Access
Notes Approved Most recent IF: 1.89; 2012 IF: 2.233
Call Number UA @ lucian @ c:irua:101139 Serial 2935
Permanent link to this record
 
 
Author Leroux, F.; Bladt, E.; Timmermans, J.-P.; Van Tendeloo, G.; Bals, S.
Title Annular dark-field transmission electron microscopy for low contrast materials Type A1 Journal article
Year 2013 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
Volume 19 Issue 3 Pages 629-634
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Imaging soft matter by transmission electron microscopy (TEM) is anything but straightforward. Recently, interest has grown in developing alternative imaging modes that generate contrast without additional staining. Here, we present a dark-field TEM technique based on the use of an annular objective aperture. Our experiments demonstrate an increase in both contrast and signal-to-noise ratio in comparison to conventional bright-field TEM. The proposed technique is easy to implement and offers an alternative imaging mode to investigate soft matter.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge, Mass. Editor
Language Wos 000319126300014 Publication Date 2013-04-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1431-9276;1435-8115; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.891 Times cited 5 Open Access
Notes 262348 Esmi; Fwo G002410n G018008 Approved Most recent IF: 1.891; 2013 IF: 2.161
Call Number UA @ lucian @ c:irua:108712 Serial 133
Permanent link to this record
 
 
Author Van Aert, S.; Verbeeck, J.; Bals, S.; Erni, R.; van Dyck, D.; Van Tendeloo, G.
Title Atomic resolution mapping using quantitative high-angle annular dark field scanning transmission electron microscopy Type A1 Journal article
Year 2009 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
Volume 15 Issue S:2 Pages 464-465
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge, Mass. Editor
Language Wos 000208119100230 Publication Date 2009-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1431-9276;1435-8115; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.891 Times cited 1 Open Access
Notes Approved Most recent IF: 1.891; 2009 IF: 3.035
Call Number UA @ lucian @ c:irua:96555UA @ admin @ c:irua:96555 Serial 178
Permanent link to this record
 
 
Author Verlinden, G.; Gijbels, R.; Geuens, I.
Title Chemical microcharacterization of ultrathin iodide conversion layers and adsorbed thiocyanate surface layers on silver halide microcrystals with time-of-flight SIMS Type A1 Journal article
Year 2002 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
Volume 8 Issue 3 Pages 216-226
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The technique of imaging time-of-flight secondary ion mass spectrometry (TOF-SIMS) and dual beam depth,profiling has been used to study the composition of the surface of tabular silver halide microcrystals. Analysis of individual microcrystals with a size well below 1 mum from a given emulsion is possible. The method is successfully applied for the characterization of silver halide microcrystals with subpercent global iodide concentrations confined in surface layers with a thickness below 5 nm. The developed TOF-SIMS analytical procedure is explicitly demonstrated for the molecular imaging of adsorbed thiocyanate layers (SCN) at crystal surfaces of individual crystals and for the differentiation of iodide conversion layers synthesized with KI and with AgI micrates (nanocrystals with a size between 10 and 50 nm). It can be concluded that TOF-SIMS as a microanalytical, surface-sensitive technique has some unique properties over other analytical techniques for the study of complex structured surface layers of silver halide microcrystals. This offers valuable information to support the synthesis of future photographic emulsions.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge, Mass. Editor
Language Wos 000179055900007 Publication Date 2002-11-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1431-9276; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.891 Times cited 1 Open Access
Notes Approved Most recent IF: 1.891; 2002 IF: 1.733
Call Number UA @ lucian @ c:irua:103876 Serial 349
Permanent link to this record
 
 
Author Verbeeck, J.; Van Aert, S.; Zhang, L.; Haiyan, T.; Schattschneider, P.; Rosenauer, A.
Title Computational aspects in quantitative EELS Type A1 Journal article
Year 2010 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
Volume 16 Issue S:2 Pages 240-241
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge, Mass. Editor
Language Wos Publication Date 2010-08-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1431-9276;1435-8115; ISBN Additional Links UA library record
Impact Factor (up) 1.891 Times cited Open Access
Notes Approved Most recent IF: 1.891; 2010 IF: 3.259
Call Number UA @ lucian @ c:irua:96556UA @ admin @ c:irua:96556 Serial 454
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Author Bach, D.; Störmer, H.; Schneider, R.; Gerthsen, D.; Verbeeck, J.
Title EELS investigations of different niobium oxide phases Type A1 Journal article
Year 2006 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
Volume 12 Issue 5 Pages 416-423
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Electron energy loss spectra in conjunction with near-edge fine structures of purely stoichiometric niobium monoxide (NbO) and niobium pentoxide (Nb2O5) reference materials were recorded. The structures of the niobium oxide reference materials were checked by selected area electron diffraction to ensure a proper assignment of the fine structures. NbO and Nb2O5 show clearly different energy loss near-edge fine structures of the Nb-M-4,M-5 and -M-2,M-3 edges and of the O-K edge, reflecting the specific local environments of the ionized atoms. To distinguish the two oxides in a quantitative manner, the intensities under the Nb-M-4,M-5 as well as Nb-M-2,M-3 edges and the O-K edge were measured and their ratios calculated. k-factors were also derived from these measurements.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge, Mass. Editor
Language Wos 000241181400007 Publication Date 2006-09-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1431-9276;1435-8115; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.891 Times cited 50 Open Access
Notes Approved Most recent IF: 1.891; 2006 IF: 2.108
Call Number UA @ lucian @ c:irua:60979UA @ admin @ c:irua:60979 Serial 789
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Author Bach, D.; Schneider, R.; Gerthsen, D.; Verbeeck, J.; Sigle, W.
Title EELS of niobium and stoichiometric niobium-oxide phases: part 1: plasmon and Near-edges fine structure Type A1 Journal article
Year 2009 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
Volume 15 Issue 6 Pages 505-523
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A comprehensive electron energy-loss spectroscopy study of niobium (Nb) and stable Nb-oxide phases (NbO, NbO2, Nb2O5) was carried out. In this work (Part I), the plasmons and energy-loss near-edge structures (ELNES) of all relevant Nb edges (Nb-N2,3, Nb-M4,5, Nb-M2,3, Nb-M1, and Nb-L2,3) up to energy losses of about 2600 eV and the O-K edge are analyzed with respect to achieving characteristic fingerprints of Nb in different formal oxidation states (0 for metallic Nb, +2 for NbO, +4 for NbO2, and +5 for Nb2O5). Chemical shifts of the Nb-N2,3, Nb-M4,5, Nb-M2,3, and Nb-L2,3 edges are extracted from the spectra that amount to about 4 eV as the oxidation state increases from 0 for Nb to +5 for Nb2O5. Four different microscopes, including a 200 keV ZEISS Libra with monochromator, were used. The corresponding wide range of experimental parameters with respect to the primary electron energy, convergence, and collection semi-angles as well as energy resolution allows an assessment of the influence of the experimental setup on the ELNES of the different edges. Finally, the intensity of the Nb-L2,3 white-line edges is correlated with niobium 4d-state occupancy in the different reference materials.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge, Mass. Editor
Language Wos 000272433200005 Publication Date 2009-10-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1431-9276;1435-8115; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.891 Times cited 55 Open Access
Notes Approved Most recent IF: 1.891; 2009 IF: 3.035
Call Number UA @ lucian @ c:irua:80320UA @ admin @ c:irua:80320 Serial 790
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Author van den Broek, W.; Van Aert, S.; van Dyck, D.
Title Fully automated measurement of the modulation transfer function of charge-coupled devices above the Nyquist frequency Type A1 Journal article
Year 2012 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
Volume 18 Issue 2 Pages 336-342
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract The charge-coupled devices used in electron microscopy are coated with a scintillating crystal that gives rise to a severe modulation transfer function (MTF). Exact knowledge of the MTF is imperative for a good correspondence between image simulation and experiment. We present a practical method to measure the MTF above the Nyquist frequency from the beam blocker's shadow image. The image processing has been fully automated and the program is made public. The method is successfully tested on three cameras with various beam blocker shapes.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge, Mass. Editor
Language Wos 000302084700011 Publication Date 2012-02-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1431-9276;1435-8115; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.891 Times cited 15 Open Access
Notes Fwo Approved Most recent IF: 1.891; 2012 IF: 2.495
Call Number UA @ lucian @ c:irua:96557 Serial 1297
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Author Bals, S.; Tirry, W.; Geurts, R.; Yang, Z.; Schryvers, D.
Title High-quality sample preparation by low kV FIB thinning for analytical TEM measurements Type A1 Journal article
Year 2007 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
Volume 13 Issue 2 Pages 80-86
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Focused ion beam specimen preparation has been used for NiTi samples and SrTiO(3)/SrRuO(3) multilayers with prevention of surface amorphization and Ga implantation by a 2-kV cleaning procedure. Transmission electron microscopy techniques show that the samples are of high quality with a controlled thickness over large scales. Furthermore, preferential thinning effects in multicompounds are avoided, which is important when analytical transmission electron microscopy measurements need to be interpreted in a quantitative manner. The results are compared to similar measurements acquired for samples obtained using conventional preparation techniques such as electropolishing for alloys and ion milling for oxides.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge, Mass. Editor
Language Wos 000245662200002 Publication Date 2007-03-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1431-9276;1435-8115; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.891 Times cited 82 Open Access
Notes Fwo; Goa Approved Most recent IF: 1.891; 2007 IF: 1.941
Call Number UA @ lucian @ c:irua:65850 Serial 1441
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Author Lu, J.; Roeffaers, M.B.J.; Bartholomeeusen, E.; Sels, B.F.; Schryvers, D.
Title Intergrowth of components and ramps in coffin-shaped ZSM-5 zeolite crystals unraveled by focused ion beam-assisted transmission electron microscopy Type A1 Journal article
Year 2014 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
Volume 20 Issue 1 Pages 42-49
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Scanning electron microscopy, focused ion beam (FIB), and transmission electron microscopy are combined to study the intergrowth of 90 degrees rotational components and of ramps in coffin-shaped ZSM-5 crystals. The 90 degrees rotational boundaries with local zig-zag features between different intergrowth components are observed in the main part of crystal. Also a new kind of displacement boundary is described. At the displacement boundary there is a shift of the unit cells along the boundary without a change in orientation. Based on lamellae prepared with FIB from different positions of the ramps and crystal, the orientation relationships between ramps and the main part of the crystal are studied and the three-dimensional morphology and growth mechanism of the ramp are illustrated.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge, Mass. Editor
Language Wos 000335378400006 Publication Date 2013-11-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1431-9276;1435-8115; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.891 Times cited 7 Open Access
Notes Approved Most recent IF: 1.891; 2014 IF: 1.877
Call Number UA @ lucian @ c:irua:117688 Serial 1697
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Author Tian, H.; Schryvers, D.; Shabalovskaya, S.; van Humbeeck, J.
Title Microstructure of surface and subsurface layers of a Ni-Ti shape memory microwire Type A1 Journal article
Year 2009 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
Volume 15 Issue Pages 62-70
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The microstructure of a 55 Êm diameter, cold-worked Ni-Ti microwire is investigated by different transmission electron microscopy techniques. The surface consists of a few hundred nanometer thick oxide layer composed of TiO and TiO2 with a small fraction of inhomogeneously distributed Ni. The interior of the wire has a core-shell structure with primarily B2 grains in the 1 Êm thick shell, and heavily twinned B19 martensite in the core. This core-shell structure can be explained by a concentration gradient of the alloying elements resulting in a structure separation due to the strong temperature dependence of the martensitic start temperature. Moreover, in between the B2 part of the metallic core-shell and the oxide layer, a Ni3Ti interfacial layer is detected.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge, Mass. Editor
Language Wos 000262912700009 Publication Date 2009-01-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1431-9276;1435-8115; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.891 Times cited 15 Open Access
Notes FWO G.0465.05; Multimat Approved Most recent IF: 1.891; 2009 IF: 3.035
Call Number UA @ lucian @ c:irua:72319 Serial 2074
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Author Grieten, E.; Caen, J.; Schryvers, D.
Title Optimal sample preparation to characterize corrosion in historical photographs with analytical TEM Type A1 Journal article
Year 2014 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
Volume 20 Issue 5 Pages 1585-1590
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Antwerp Cultural Heritage Sciences (ARCHES)
Abstract An alternative focused ion beam preparation method is used for sampling historical photographs containing metallic nanoparticles in a polymer matrix. We use the preparation steps of classical ultra-microtomy with an alternative final sectioning with a focused ion beam. Transmission electron microscopy techniques show that the lamella has a uniform thickness, which is an important factor for analytical transmission electron microscopy. Furthermore, the method maintains the spatial distribution of nanoparticles in the soft matrix. The results are compared with traditional preparation techniques such as ultra-microtomy and classical focused ion beam milling.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge, Mass. Editor
Language Wos 000345742900031 Publication Date 2014-09-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1431-9276;1435-8115; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.891 Times cited Open Access
Notes Approved Most recent IF: 1.891; 2014 IF: 1.877
Call Number UA @ lucian @ c:irua:118481 Serial 2484
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Author van Dyck, D.; Van Aert, S.; den Dekker, A.J.
Title Physical limits on atomic resolution Type A1 Journal article
Year 2004 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
Volume 10 Issue Pages 153-157
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge, Mass. Editor
Language Wos 000188882100022 Publication Date 2004-08-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1431-9276;1435-8115; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.891 Times cited 14 Open Access
Notes Approved Most recent IF: 1.891; 2004 IF: 2.389
Call Number UA @ lucian @ c:irua:47515 Serial 2616
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Author Idrissi, H.; Turner, S.; Mitsuhara, M.; Wang, B.; Hata, S.; Coulombier, M.; Raskin, J.-P.; Pardoen, T.; Van Tendeloo, G.; Schryvers, D.
Title Point defect clusters and dislocations in FIB irradiated nanocrystalline aluminum films : an electron tomography and aberration-corrected high-resolution ADF-STEM study Type A1 Journal article
Year 2011 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
Volume 17 Issue 6 Pages 983-990
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Focused ion beam (FIB) induced damage in nanocrystalline Al thin films has been characterized using advanced transmission electron microscopy techniques. Electron tomography was used to analyze the three-dimensional distribution of point defect clusters induced by FIB milling, as well as their interaction with preexisting dislocations generated by internal stresses in the Al films. The atomic structure of interstitial Frank loops induced by irradiation, as well as the core structure of Frank dislocations, has been resolved with aberration-corrected high-resolution annular dark-field scanning TEM. The combination of both techniques constitutes a powerful tool for the study of the intrinsic structural properties of point defect clusters as well as the interaction of these defects with preexisting or deformation dislocations in irradiated bulk or nanostructured materials.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge, Mass. Editor
Language Wos 000297832300018 Publication Date 2011-10-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1431-9276;1435-8115; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.891 Times cited 25 Open Access
Notes Iap; Fwo Approved Most recent IF: 1.891; 2011 IF: 3.007
Call Number UA @ lucian @ c:irua:93627 Serial 2653
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Author Bals, S.; Van Aert, S.; Verbeeck, J.; Van Tendeloo, G.
Title Structural, chemical and electronic characterization of ceramic materials using quantitative (scanning) transmission electron microscopy Type A1 Journal article
Year 2007 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
Volume 13 Issue S:3 Pages 332-333
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge, Mass. Editor
Language Wos Publication Date 2008-02-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1431-9276;1435-8115; ISBN Additional Links UA library record
Impact Factor (up) 1.891 Times cited Open Access
Notes Approved Most recent IF: 1.891; 2007 IF: 1.941
Call Number UA @ lucian @ c:irua:96553 Serial 3224
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Author Bals, S.; Radmilovic, V.; Kisielowski, C.
Title TEM annular objective apertures fabricated by FIB Type A1 Journal article
Year 2004 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
Volume 10 Issue S:2 Pages 1148-1149
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge, Mass. Editor
Language Wos Publication Date 2008-01-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1431-9276;1435-8115; ISBN Additional Links UA library record
Impact Factor (up) 1.891 Times cited Open Access
Notes Approved Most recent IF: 1.891; 2004 IF: 2.389
Call Number UA @ lucian @ c:irua:87603 Serial 3475
Permanent link to this record