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Author Tikhomirov, V.K.; Vosch, T.; Fron, E.; Rodríguez, V.D.; Velázquez, J.J.; Kirilenko, D.; Van Tendeloo, G.; Hofkens, J.; Van der Auweraer, M.; Moshchalkov, V.V.
Title Luminescence of oxyfluoride glasses co-doped with Ag nanoclusters and Yb3+ ions Type A1 Journal article
Year 2012 Publication RSC advances Abbreviated Journal Rsc Adv
Volume 2 Issue 4 Pages 1496-1501
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Bulk oxyfluoride glasses co-doped with Ag nanoclusters and Yb3+ ions have been prepared by a melt quenching technique. When excited in the absorption band of the Ag nanoclusters between 300 to 500 nm, these glasses emit a broad band characteristic of the Ag nanoclusters between 400 to 750 nm as well as an emission band between 900 to 1100 nm, originating from Yb3+ ions. The intensity ratio of the Yb3+/Ag emission bands increases with the Ag doping level at a fixed concentration of Yb3+, indicating the presence of energy transfer mechanism from the Ag nanoclusters to the Yb3+ ions. Comparison of time-resolved decay kinetics of the luminescence in the respectively Ag nanocluster-Yb3+ co-doped and single Ag nanocluster doped glasses, hints towards an energy transfer from the red and infrared emitting Ag nanoclusters to the Yb3+ ions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000299695300038 Publication Date 2011-12-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2046-2069; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.108 Times cited (up) 46 Open Access
Notes Fwo; Iap Approved Most recent IF: 3.108; 2012 IF: 2.562
Call Number UA @ lucian @ c:irua:96239 Serial 1856
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Author Cheng, J.-P.; McCombe, B.D.; Shi, J.M.; Peeters, F.M.; Devreese, J.T.
Title Magnetopolaron effect on shallow donors in GaAs Type A1 Journal article
Year 1993 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 48 Issue Pages 7910-7914
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 A1993LY66500018 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121; 0163-1829 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.736 Times cited (up) 46 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:5783 Serial 1925
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Author Colomer, J.-F.; Marega, R.; Traboulsi, H.; Meneghetti, M.; Van Tendeloo, G.; Bonifazi, D.
Title Microwave-assisted bromination of double-walled carbon nanotubes Type A1 Journal article
Year 2009 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 21 Issue 20 Pages 4747-4749
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000270807800001 Publication Date 2009-09-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited (up) 46 Open Access
Notes Approved Most recent IF: 9.466; 2009 IF: 5.368
Call Number UA @ lucian @ c:irua:94504 Serial 2080
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Author De Bie, C.; van Dijk, J.; Bogaerts, A.
Title The Dominant Pathways for the Conversion of Methane into Oxygenates and Syngas in an Atmospheric Pressure Dielectric Barrier Discharge Type A1 Journal article
Year 2015 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 119 Issue 119 Pages 22331-22350
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A one-dimensional fluid model for a dielectric barrier discharge in CH4/O2 and CH4/CO2 gas mixtures is developed. The model describes the gas-phase chemistry for partial oxidation and for dry reforming of methane. The spatially averaged densities of the various plasma species are presented as a function of time and initial gas mixing ratio. Besides, the conversion of the inlet gases and the selectivities of the reaction products are calculated. Syngas, higher hydrocarbons, and higher oxygenates are typically found to be important reaction products. Furthermore, the main underlying reaction pathways for the formation of syngas, methanol, formaldehyde, and other higher oxygenates are determined.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000362385700010 Publication Date 2015-09-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited (up) 46 Open Access
Notes This work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the Universiteit Antwerpen. The authors also acknowledge financial support from the IAP/7 (Interuniversity Attraction Pole) program “PSI-Physical Chemistry of Plasma- Surface Interactions” by the Belgian Federal Office for Science Policy (BELSPO) and from the Fund for Scientific Research Flanders (FWO). Approved Most recent IF: 4.536; 2015 IF: 4.772
Call Number c:irua:128774 Serial 3960
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Author Piacente, G.; Peeters, F.M.
Title Pinning and depinning of a classic quasi-one-dimensional Wigner crystal in the presence of a constriction Type A1 Journal article
Year 2005 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 72 Issue 20 Pages 205208,1-17
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000233603900053 Publication Date 2005-12-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited (up) 46 Open Access
Notes Approved Most recent IF: 3.836; 2005 IF: 3.185
Call Number UA @ lucian @ c:irua:56051 Serial 2624
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Author Nourbakhsh, A.; Cantoro, M.; Klekachev, A.V.; Pourtois, G.; Vosch, T.; Hofkens, J.; van der Veen, M.H.; Heyns, M.M.; de Gendt, S.; Sels, B.F.
Title Single layer vs bilayer graphene : a comparative study of the effects of oxygen plasma treatment on their electronic and optical properties Type A1 Journal article
Year 2011 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 115 Issue 33 Pages 16619-16624
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract This contribution presents the effects of a mild O2 plasma treatment on the structural, optical, and electrical properties of single-layer (SLG) and bilayer graphene (BLG). Unexpectedly, we observe only photoluminescence in the SLG parts of a graphene flake composed of regions of various thickness upon O2 plasma treatment, whereas the BLG and few-layer graphene (FLG) parts remain optically unchanged. Confirmed with X-ray photoelectron spectroscopy (XPS) that O2 plasma induces epoxide and hydroxyl-like groups in graphene, density functional theory (DFT) calculations are carried out on representative epoxidized and hydroxylated SLG and BLG models to predict density of states (DOS) and band structures. Sufficiently oxidized SLG shows a bandgap and thus loss of semimetallic behavior, while oxidized BLG maintains its semimetallic behavior even at high oxygen density in agreement with the results of the photoluminescence spectroscopy (PL) experiments. DFT calculations confirm that the Fermi velocity in epoxidized BLG is remarkably comparable with that of pristine SLG, pointing to a similarity of electronic band structure. The similarity is also experimentally demonstrated by the electrical characterization of a plasma-treated BLG-FET. As expected from the electronegative oxygen adatoms in the graphene, epoxidized BLG presents conductive features typical of hole doping. Moreover, the electrical characteristics suggest band structures closely related to that of epoxidized graphene while deviating from that of hydroxylated graphene. Finally, upon O2 plasma treatment of BLG, the four-component 2D peak around 2700 cm1 in the Raman spectrum evolves into a single Lorentzian line, very like the 2D peak of pristine SLG. Summarizing, the data in this contribution recommend that a controlled O2 plasma treatment, which is compatible with CMOS process flow in contrast to wet chemical oxidation methods, provides an efficient and valuable technique to exploit the transport properties of the bottom layer of BLG.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000294077000047 Publication Date 2011-06-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited (up) 46 Open Access
Notes Approved Most recent IF: 4.536; 2011 IF: 4.805
Call Number UA @ lucian @ c:irua:91715 Serial 3024
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Author Hadermann, J.; Abakumov, A.M.; Turner, S.; Hafideddine, Z.; Khasanova, N.R.; Antipov, E.V.; Van Tendeloo, G.
Title Solving the structure of Li ion battery materials with precession electron diffraction : application to Li2CoPo4F Type A1 Journal article
Year 2011 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 23 Issue 15 Pages 3540-3545
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The crystal structure of the Li2CoPO4F high-voltage cathode for Li ion rechargeable batteries has been completely solved from precession electron diffraction (PED) data, including the location of the Li atoms. The crystal structure consists of infinite chains of CoO4F2 octahedra sharing common edges and linked into a 3D framework by PO4 tetrahedra. The chains and phosphate anions together delimit tunnels filled with the Li atoms. This investigation demonstrates that PED can be successfully applied for obtaining structural information on a variety of Li-containing electrode materials even from single micrometer-sized crystallites.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000293357100019 Publication Date 2011-07-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited (up) 46 Open Access
Notes Fwo; Bof Approved Most recent IF: 9.466; 2011 IF: 7.286
Call Number UA @ lucian @ c:irua:90357 Serial 3053
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Author Dzhurakhalov, A.A.; Peeters, F.M.
Title Structure and energetics of hydrogen chemisorbed on a single graphene layer to produce graphane Type A1 Journal article
Year 2011 Publication Carbon Abbreviated Journal Carbon
Volume 49 Issue 10 Pages 3258-3266
Keywords A1 Journal article; Condensed Matter Theory (CMT); Integrated Molecular Plant Physiology Research (IMPRES)
Abstract Chemisorption of hydrogen on graphene is studied using atomistic simulations with the second generation of reactive empirical bond order Brenner inter-atomic potential. The lowest energy adsorption sites and the most important metastable sites are determined. The H concentration is varied from a single H atom, to clusters of H atoms up to full coverage. We found that when two or more H atoms are present, the most stable configurations of H chemisorption on a single graphene layer are ortho hydrogen pairs adsorbed on one side or on both sides of the graphene sheet. The latter has the highest hydrogen binding energy. The next stable configuration is the orthopara pair combination, and then para hydrogen pairs. The structural changes of graphene caused by chemisorbed hydrogen are discussed and are compared with existing experimental data and other theoretical calculations. The obtained results will be useful for nanoengineering of graphene by hydrogenation and for hydrogen storage.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000291959300014 Publication Date 2011-04-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.337 Times cited (up) 46 Open Access
Notes ; A.D. thanks M.W. Zhao for a useful correspondence. This work was supported by the Belgian Science Policy (IAP) and the Flemish Science Foundation (FWO-VI). ; Approved Most recent IF: 6.337; 2011 IF: 5.378
Call Number UA @ lucian @ c:irua:90877 Serial 3275
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Author Abakumov, A.M.; Rozova, M.G.; Pavlyuk, B.P.; Lobanov, M.V.; Antipov, E.V.; Lebedev, O.I.; Van Tendeloo, G.; Ignatchik, O.L.; Ovtchenkov, E.A.; Koksharov, Y.A.; Vasil'ev, A.N.
Title Synthesis, crystal structure, and magnetic properties of a novel layered manganese oxide Sr2MnGaO5+\delta Type A1 Journal article
Year 2001 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 160 Issue 2 Pages 353-361
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000171215100010 Publication Date 2002-09-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.299 Times cited (up) 46 Open Access
Notes Approved Most recent IF: 2.299; 2001 IF: 1.614
Call Number UA @ lucian @ c:irua:54708 Serial 3447
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Author Pietra, F.; van Dijk-Moes, R.J.A.; Ke, X.; Bals, S.; Van Tendeloo, G.; de Mello Donega, C.; Vanmaekelbergh, D.
Title Synthesis of highly luminescent silica-coated CdSe/CdS nanorods Type A1 Journal article
Year 2013 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 25 Issue 17 Pages 3427-3434
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract CdSe(core)/CdS(shell) nanorods (NRs) have been extensively investigated for their unique optical properties, such as high photoluminescence (PL) quantum efficiency (QE) and polarized light emission. The incorporation of these NRs in silica (SiO2) is of high interest, since this renders them processable in polar solvents while increasing their photochemical stability, which would be beneficial for their application in LEDs and as biolabels. We report the synthesis of highly luminescent silica-coated CdSe/CdS NRs, by using the reverse micelle method. The mechanism for the encapsulation of the NRs in silica is unravelled and shown to be strongly influenced by the NR shape and its asymmetry. This is attributed to both the different morphology and the different crystallographic nature of the facets terminating the opposite tips of the NRs. These results lead to the formation of a novel class of NR architectures, whose symmetry can be controlled by tuning the degree of coverage of the silica shell. Interestingly, the encapsulation of the NRs in silica leads to a remarkable increase in their photostability, while preserving their optical properties.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000330097900004 Publication Date 2013-08-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited (up) 46 Open Access
Notes 262348 ESMI; 246791 COUNTATOMS; Hercules Approved Most recent IF: 9.466; 2013 IF: 8.535
Call Number UA @ lucian @ c:irua:110037 Serial 3456
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Author Seo, J.W.; Schryvers, D.
Title TEM investigation of the microstructure and defects of CuZr martensite: 1: morphology and twin systems Type A1 Journal article
Year 1998 Publication Acta materialia Abbreviated Journal Acta Mater
Volume 46 Issue Pages 1165-1175
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000072289100009 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-6454; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.301 Times cited (up) 46 Open Access
Notes Approved Most recent IF: 5.301; 1998 IF: 1.834
Call Number UA @ lucian @ c:irua:48360 Serial 3479
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Author Morozov, V.A.; Arakcheeva, A.V.; Chapuis, G.; Guiblin, N.; Rossell, M.D.; Van Tendeloo, G.
Title KNd(MoO4)2: a new incommensurate modulated structure in the scheelite family Type A1 Journal article
Year 2006 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 18 Issue 17 Pages 4075-4082
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000239758300022 Publication Date 2006-07-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited (up) 46 Open Access
Notes Iap V-1 Approved Most recent IF: 9.466; 2006 IF: 5.104
Call Number UA @ lucian @ c:irua:60688 Serial 3538
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Author Costamagna, S.; Neek-Amal, M.; Los, J.H.; Peeters, F.M.
Title Thermal rippling behavior of graphane Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 86 Issue 4 Pages 041408-4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Thermal fluctuations of single layer hydrogenated graphene (graphane) are investigated using large scale atomistic simulations. By analyzing the mean square value of the height fluctuations < h(2)> and the height-height correlation function H(q) for different system sizes and temperatures, we show that hydrogenated graphene is an unrippled system in contrast to graphene. The height fluctuations are bounded, which is confirmed by a H(q) tending to a constant in the long wavelength limit instead of showing the characteristic scaling law q(4-eta)(eta similar or equal to 0.85) predicted by membrane theory. This unexpected behavior persists up to temperatures of at least 900 K and is a consequence of the fact that in graphane the thermal energy can be accommodated by in-plane bending modes, i.e., modes involving C-C-C bond angles in the buckled carbon layer, instead of leading to significant out-of-plane fluctuations that occur in graphene.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000306649200002 Publication Date 2012-07-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited (up) 46 Open Access
Notes ; We thank A. Fasolino, A. Dobry, and K. H. Michel for their useful comments. S.C. is supported by the Belgian Science Foundation (BELSPO). This work is supported by the ESF-EuroGRAPHENE project CONGRAN and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:100840 Serial 3630
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Author Bogaerts, A.; Wagner, E.; Smith, B.W.; Winefordner, J.D.; Pollmann, D.; Harrison, W.W.; Gijbels, R.
Title Three-dimensional density profiles of sputtered atoms and ions in a direct current glow discharge: experimental study and comparison with calculations Type A1 Journal article
Year 1997 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B
Volume 52 Issue 2 Pages 205-218
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos A1997WR97300006 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0584-8547; 0038-6987 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.241 Times cited (up) 46 Open Access
Notes Approved Most recent IF: 3.241; 1997 IF: 2.448
Call Number UA @ lucian @ c:irua:19594 Serial 3648
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Author Szafran, B.; Peeters, F.M.
Title Time-dependent simulations of electron transport through a quantum ring: effect of the Lorentz force Type A1 Journal article
Year 2005 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 72 Issue Pages 165301,1-8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000232934900050 Publication Date 2005-10-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited (up) 46 Open Access
Notes Approved Most recent IF: 3.836; 2005 IF: 3.185
Call Number UA @ lucian @ c:irua:69617 Serial 3666
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Author Du, G.H.; Yuan, Z.Y.; Van Tendeloo, G.
Title Transmission electron microscopy and electron energy-loss spectroscopy analysis of manganese oxide nanowires Type A1 Journal article
Year 2005 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 86 Issue 6 Pages
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Single-crystalline MnOOH and Mn3O4 nanowires have been prepared by hydrothermal treatment of commercial bulky manganese oxide particles. beta-MnO2 and alpha-Mn2O3 nanowires were prepared by calcination of MnOOH nanowires. Transmission electron microscopy analysis demonstrates that MnOOH nanowires grow directly from MnO2 raw particles. The diameter of the nanowires is 20-70 nm, while the length can reach several micrometers. MnOOH nanowires grow preferentially along the [010] direction and Mn3O4 nanowires prefer to grow along the [001] direction; the long dimension of both beta-MnO2 and alpha-Mn2O3 nanowires is along [001]. Electron energy-loss spectroscopy analysis shows that the position of the prepeak of the oxygen K edge shifts to higher energy and the energy separation between the two main peaks of the oxygen K edge decreases with decreasing manganese oxidation state. The manganese-white-line ratios (L-3/L-2) were calculated. (C) 2005 American Institute of Physics.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000227355200069 Publication Date 2005-02-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited (up) 46 Open Access
Notes Iap V-1 Approved Most recent IF: 3.411; 2005 IF: 4.127
Call Number UA @ lucian @ c:irua:59056 Serial 3704
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Author Fedotov, S.S.; Khasanova, N.R.; Samarin, A.S.; Drozhzhin, O.A.; Batuk, D.; Karakulina, O.M.; Hadermann, J.; Abakumov, A.M.; Antipov, E.V.
Title AVPO4F (A = Li, K): A 4 V Cathode Material for High-Power Rechargeable Batteries Type A1 Journal article
Year 2016 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 28 Issue 28 Pages 411-415
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A novel potassium-based fluoride-phosphate, KVPO4F, with a KTiOPO4 (KTP) type structure is synthesized and characterized. About 85% of potassium has been electrochemically extracted on oxidation producing a cathode material with attractive performance for Li-ion batteries. The material operates at the electrode potential near 4V vs Li/Li+ exhibiting a sloping voltage profile, extremely low polarization, small volume change of about 2% and excellent rate capability, maintaining more than 75% of the initial capacity at 40C discharge rate without significant fading.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000368949900002 Publication Date 2016-01-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited (up) 46 Open Access
Notes The authors kindly thank Dr. S. N. Putilin for XRD measurements, Dr. O. A. Shlyakhtin for the assistance in cryochemical synthesis, Ph.D. students A. A. Sadovnikov and E. A. Karpukhina for SEM imaging and FTIR spectra respectively. The work was partly supported by Russian Science Foundation (grant 16-19-00190), Skoltech Center for Electrochemical Energy Storage and Moscow State University Devel-opment Program up to 2020. J. Hadermann, O.M. Karakulina and A.M. Abakumov acknowledge support from FWO under grant G040116N. Approved Most recent IF: 9.466
Call Number c:irua:131583 Serial 4001
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Author van den Bos, K.H. W.; De Backer, A.; Martinez, G.T.; Winckelmans, N.; Bals, S.; Nellist, P.D.; Van Aert, S.
Title Unscrambling Mixed Elements using High Angle Annular Dark Field Scanning Transmission Electron Microscopy Type A1 Journal article
Year 2016 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 116 Issue 116 Pages 246101
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The development of new nanocrystals with outstanding physicochemical properties requires a full threedimensional (3D) characterization at the atomic scale. For homogeneous nanocrystals, counting the number of atoms in each atomic column from high angle annular dark field scanning transmission electron microscopy images has been shown to be a successful technique to get access to this 3D information. However, technologically important nanostructures often consist of more than one chemical element. In order to extend atom counting to heterogeneous materials, a new atomic lensing model is presented. This model takes dynamical electron diffraction into account and opens up new possibilities for unraveling the 3D composition at the atomic scale. Here, the method is applied to determine the 3D structure of Au@Ag core-shell nanorods, but it is applicable to a wide range of heterogeneous complex nanostructures.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000378059500010 Publication Date 2016-06-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited (up) 46 Open Access OpenAccess
Notes The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through Projects No. G.0374.13N, No. G.0368.15N, and No. G.0369.15N, and by grants to K. H.W. van den Bos and A. De Backer. S. Bals and N. Winckelmans acknowledge funding from the European Research Council (Starting Grant No. COLOURATOMS 335078). The research leading to these results has received funding from the European Union Seventh Framework Programme under Grant No. 312483—ESTEEM2. The authors are grateful to A. Rosenauer for providing the STEMsim program.; esteem2jra2; ECASSara; (ROMEO:green; preprint:; postprint:can ; pdfversion:can); Approved Most recent IF: 8.462
Call Number c:irua:133954 c:irua:133954 Serial 4084
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Author Ackerman, M.L.; Kumar, P.; Neek-Amal, M.; Thibado, P.M.; Peeters, F.M.; Singh, S.
Title Anomalous dynamical behavior of freestanding graphene membranes Type A1 Journal article
Year 2016 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 117 Issue 117 Pages 126801
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We report subnanometer, high-bandwidth measurements of the out-of-plane (vertical) motion of atoms in freestanding graphene using scanning tunneling microscopy. By tracking the vertical position over a long time period, a 1000-fold increase in the ability to measure space-time dynamics of atomically thin membranes is achieved over the current state-of-the-art imaging technologies. We observe that the vertical motion of a graphene membrane exhibits rare long-scale excursions characterized by both anomalous mean-squared displacements and Cauchy-Lorentz power law jump distributions.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000383171800010 Publication Date 2016-09-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited (up) 46 Open Access
Notes ; The authors thank Theodore L. Einstein, Michael F. Shlesinger, and Woodrow L. Shew for their careful reading of the manuscript and insightful comments. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. P. M. T. was supported by the Office of Naval Research under Grant No. N00014-10-1-0181 and the National Science Foundation under Grant No. DMR-0855358. M.N.-A. was supported by Iran Science Elites Federation (ISEF) under Grant No. 11/66332. ; Approved Most recent IF: 8.462
Call Number UA @ lucian @ c:irua:137125 Serial 4347
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Author Albrecht, W.; Bladt, E.; Vanrompay, H.; Smith, J.D.; Skrabalak, S.E.; Bals, S.
Title Thermal Stability of Gold/Palladium Octopods Studied in Situ in 3D: Understanding Design Rules for Thermally Stable Metal Nanoparticles Type A1 Journal article
Year 2019 Publication ACS nano Abbreviated Journal Acs Nano
Volume 13 Issue 13 Pages 6522-6530
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Multifunctional metal nanoparticles (NPs) such as anisotropic multimetallic NPs are crucial for boosting nanomaterial based applications. Advanced synthetic protocols exist to make a large variety of such nanostructures. However, a major limiting factor for the usability of them in real life applications is their stability. Here, we show that Au/Pd octopods, 8-branched nanocrystals with Oh symmetry, with only a low amount of Pd exhibited a high thermal stability and maintained strong plasmon resonances up to 600 ◦C. Furthermore, we study the influence of the composition, morphology and environment on the thermal stability and define key parameters for the design of thermally stable multifunctional NPs.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000473248300038 Publication Date 2019-06-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1936-0851 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.942 Times cited (up) 46 Open Access OpenAccess
Notes W. A. acknowledges an Individual Fellowship funded by the Marie Sklodowska-Curie Actions (MSCA) in Horizon 2020. H. V. acknowledges financial support by the Research Foundation Flanders (FWO grant 1S32617N). E. B. acknowledges a post-doctoral grant from the Research Foundation Flanders (FWO, Belgium). J. D. S. and S.E.S acknowledge funding from the US National Science Foundation (award number: CHE-1602476). The authors acknowledge funding from the European Commission Grant (EUSMI E180600101 to S. B. and S. E. S.) and European Research Council (ERC Starting Grant #335078-COLOURATOMS). Realnano 815128; sygma Approved Most recent IF: 13.942
Call Number EMAT @ emat @c:irua:161356 Serial 5285
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Author Krupińska, B.; Van Grieken, R.; De Wael, K.
Title Air quality monitoring in a museum for preventive conservation : results of a three-year study in the Plantin-Moretus Museum in Antwerp, Belgium Type A1 Journal article
Year 2013 Publication Microchemical journal Abbreviated Journal Microchem J
Volume 110 Issue Pages 350-360
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Through different research projects on air quality in museums, researcher and conservators try identifying various risks of air pollution on materials. The conclusions may be later translated into specific actions for a maximum preservation of the museum collections, a process known as preventive conservation. Air pollution is a particular problem in historical buildings such as museums, because they were not originally built to exhibit and protect art objects in a sustainable way. This article reports on the data and results that were obtained during 10 sampling campaigns, in the period between November 2008 and February 2012 in a museum in Antwerp (Belgium), i.e. Plantin-Moretus Museum/Print Room. Different pollutants were measured inside and outside the museum such as inorganic gases, particulate matter and black carbon. The report specifically addresses environmental factors that may be responsible for damage to the collections present in museums. Thanks to the knowledge about the current situation in the museum, accurate solutions regarding preventive conservation, in general, are suggested.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000326851200051 Publication Date 2013-05-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0026-265x; 0026-265x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.034 Times cited (up) 46 Open Access
Notes ; The presented work was realised in the frame of the project Preventive conservation/preservation in the museum Plantin-Moretus/Prentenkabinet, Antwerp, financed by the Flemish Government. Special thanks are due to Mrs Hanne Moris and Mrs Elke van Herck and all the staff of the Museum Plantin-Moretus/Print Room in Antwerp for their sincere interest in this work and their eager assistance during all the sampling campaigns. VMM and Dr. Edward Roekens is acknowledged for sharing the black carbon measurements. Barbara Krupinska is supported as PhD student by the Flemish Fund for Scientific Research (FWO, Belgium). ; Approved Most recent IF: 3.034; 2013 IF: 3.583
Call Number UA @ admin @ c:irua:108402 Serial 5460
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Author Janssens, K.; Alfeld, M.; van der Snickt, G.; de Nolf, W.; Vanmeert, F.; Radepont, M.; Monico, L.; et al.
Title The use of synchrotron radiation for the characterization of artists' pigments and paintings Type A1 Journal article
Year 2013 Publication Annual review of analytical chemistry Abbreviated Journal Annu Rev Anal Chem
Volume 6 Issue Pages 399-425
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract We review methods and recent studies in which macroscopic to (sub)microscopic X-ray beams were used for nondestructive analysis and characterization of pigments, paint microsamples, and/or entire paintings. We discuss the use of portable laboratory- and synchrotron-based instrumentation and describe several variants of X-ray fluorescence (XRF) analysis used for elemental analysis and imaging and combined with X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS). Macroscopic and microscopic (μ-)XRF variants of this method are suitable for visualizing the elemental distribution of key elements in paint multilayers. Technical innovations such as multielement, large-area XRF detectors have enabled such developments. The use of methods limited to elemental analysis or imaging usually is not sufficient to elucidate the chemical transformations that take place during natural pigment alteration processes. However, synchrotron-based combinations of μ-XRF, μ-XAS, and μ-XRD are suitable for such studies.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000323887500019 Publication Date 2013-06-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1936-1327 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.435 Times cited (up) 46 Open Access
Notes ; ; Approved Most recent IF: 7.435; 2013 IF: 7.814
Call Number UA @ admin @ c:irua:111315 Serial 5902
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Author Hauchecorne, B.; Terrens, D.; Verbruggen, S.; Martens, J.A.; van Langenhove, H.; Demeestere, K.; Lenaerts, S.
Title Elucidating the photocatalytic degradation pathway of acetaldehyde : an FTIR in situ study under atmospheric conditions Type A1 Journal article
Year 2011 Publication Applied catalysis : B : environmental Abbreviated Journal Appl Catal B-Environ
Volume 106 Issue 3/4 Pages 630-638
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract In this paper, new insights of the photocatalytic oxidation pathway of acetaldehyde are obtained by means of an in-house constructed FTIR in situ reactor. It is shown that there are generally three different intermediates present: acetic acid, formic acid and formaldehyde. By means of FTIR in situ spectroscopy, this study revealed that these intermediates are bound on the TiO2 surface in different ways, resulting in the presence of more intermediate species, such as molecularly adsorbed acetic acid, bidentate acetate, molecularly adsorbed formic acid, monodentate formate, bidentate formate, formaldehyde and dioxymethylene. Furthermore, spectroscopic evidence is obtained concerning the formation of 3-hydroxybutanal and crotonaldehyde upon adsorption of acetaldehyde on TiO2 prior to UV illumination. The presented results thus give new insights in the photocatalytic oxidation pathway of acetaldehyde.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000294092400042 Publication Date 2011-06-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0926-3373 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.446 Times cited (up) 46 Open Access
Notes ; The authors wish to thank the University of Antwerp for the funding of this research. ; Approved Most recent IF: 9.446; 2011 IF: 5.625
Call Number UA @ admin @ c:irua:92433 Serial 5948
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Author Tang, Z.; Liu, P.; Cao, H.; Bals, S.; Heeres, H.J.; Pescarmona, P.P.
Title Pr/ZrO2 prepared by atomic trapping : an efficient catalyst for the conversion of glycerol to lactic acid with concomitant transfer hydrogenation of cyclohexene Type A1 Journal article
Year 2019 Publication ACS catalysis Abbreviated Journal Acs Catal
Volume 9 Issue 9 Pages 9953-9963
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A series of heterogeneous catalysts consisting of highly dispersed Pt nanoparticles supported on nanosized ZrO2 (20 to 60 nm) was synthesized and investigated for the one-pot transfer hydrogenation between glycerol and cyclohexene to produce lactic acid and cyclohexane, without any additional H-2. Different preparation methods were screened, by varying the calcination and reduction procedures with the purpose of optimizing the dispersion of Pt species (i.e., as single-atom sites or extra-fine Pt nanoparticles) on the ZrO2 support. The Pt/ZrO2 catalysts were characterized by means of transmission electron microscopy techniques (HAADF-STEM, TEM), elemental analysis (ICP-OES, EDX mapping), N-2-physisorption, H-2 temperature-programmed-reduction (H-2-TPR), X-ray photoelectron spectroscopy (XPS), and X-ray diffraction (XRD). Based on this combination of techniques it was possible to correlate the temperature of the calcination and reduction treatments with the nature of the Pt species. The best catalyst consisted of subnanometer Pt clusters (<1 nm) and atomically dispersed Pt (as Pt2+ and Pt4+) on the ZrO2 support, which were converted into extra-fine Pt nanoparticles (average size = 1.4 nm) upon reduction. These nanoparticles acted as catalytic species for the transfer hydrogenation of glycerol with cyclohexene, which gave an unsurpassed 95% yield of lactic acid salt at 96% glycerol conversion (aqueous glycerol solution, NaOH as promoter, 160 degrees C, 4.5 h, at 20 bar N-2). This is the highest yield and selectivity of lactic acid (salt) reported in the literature so far. Reusability experiments showed a partial and gradual loss of activity of the Pt/ZrO2 catalyst, which was attributed to the experimentally observed aggregation of Pt nanoparticles.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000494549700025 Publication Date 2019-09-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2155-5435 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 10.614 Times cited (up) 46 Open Access OpenAccess
Notes Zhenchen Tang acknowledges the financial support from the China Scholarship Council for his Ph.D. grant. All the authors are grateful for the technical support from Erwin Wilbers, Anne Appeldoorn, and Marcel de Vries, the TEM support from Dr. Marc Stuart, and the ICP-OES support from Johannes van der Velde. Pei Liu and Sara Bals acknowledge financial support from the European Commission under the Horizon 2020 Programme by means of grant agreement No. 731019 EUSMI. Approved Most recent IF: 10.614
Call Number UA @ admin @ c:irua:164643 Serial 6326
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Author Yusupov, M.; Neyts, E.C.; Khalilov, U.; Snoeckx, R.; van Duin, A.C.T.; Bogaerts, A.
Title Atomic-scale simulations of reactive oxygen plasma species interacting with bacterial cell walls Type A1 Journal article
Year 2012 Publication New journal of physics Abbreviated Journal New J Phys
Volume 14 Issue 9 Pages 093043
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In recent years there has been growing interest in the use of low-temperature atmospheric pressure plasmas for biomedical applications. Currently, however, there is very little fundamental knowledge regarding the relevant interaction mechanisms of plasma species with living cells. In this paper, we investigate the interaction of important plasma species, such as O3, O2 and O atoms, with bacterial peptidoglycan (or murein) by means of reactive molecular dynamics simulations. Specifically, we use the peptidoglycan structure to model the gram-positive bacterium Staphylococcus aureus murein. Peptidoglycan is the outer protective barrier in bacteria and can therefore interact directly with plasma species. Our results demonstrate that among the species mentioned above, O3 molecules and especially O atoms can break important bonds of the peptidoglycan structure (i.e. CO, CN and CC bonds), which subsequently leads to the destruction of the bacterial cell wall. This study is important for gaining a fundamental insight into the chemical damaging mechanisms of the bacterial peptidoglycan structure on the atomic scale.
Address
Corporate Author Thesis
Publisher Place of Publication Bristol Editor
Language Wos 000309393400001 Publication Date 2012-09-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1367-2630; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.786 Times cited (up) 47 Open Access
Notes Approved Most recent IF: 3.786; 2012 IF: 4.063
Call Number UA @ lucian @ c:irua:101014 Serial 189
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Author Ribbens, S.; Meynen, V.; Van Tendeloo, G.; Ke, X.; Mertens, M.; Maes, B.U.W.; Cool, P.; Vansant, E.F.
Title Development of photocatalytic efficient Ti-based nanotubes and nanoribbons by conventional and microwave assisted synthesis strategies Type A1 Journal article
Year 2008 Publication Microporous and mesoporous materials: zeolites, clays, carbons and related materials Abbreviated Journal Micropor Mesopor Mat
Volume 114 Issue 1/3 Pages 401-409
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Organic synthesis (ORSY)
Abstract Titanate nanotubes were prepared via a hydrothermal treatment of TiO2 powders (Riedel De Haen) in a basic solution. Morphology and structure of the prepared samples were characterized by high resolution transmission electron microscopy (HRTEM), selected area electron diffraction (SAED), XRD, FT-Raman spectroscopy, nitrogen sorption and DSC. The photocatalytic activity was evaluated by photocatalytic oxidation of rhodamine 6G. Trititanate nanotubes (TTNT) with inner pore diameters between 4 and 4.2 nm and surface areas up till 360 m(2)/g could be synthesized. The synthesis route was modified by introduction of a calcination step, by applying a lower hydrothermal temperature and microwave irradiation in order to increase the photocatalytic activity of the porous photoactive nanotubular materials. Calcination and a softer hydrothermal treatment led to the formation of anatase without affecting the surface area and nanotubular shape of the samples. In this way, the photocatalytic activity of the original trititanate nanotubes could be significantly increased. By making use of microwave assisted synthesis, the photocatalytic activity call also be increased due to the presence of anatase. However, by applying microwave synthesis, a different structure was obtained, nanoribbons (NR) instead of nanotubcs, resulting in a decrease in surface area and porosity.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000258432100040 Publication Date 2008-02-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1387-1811; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.615 Times cited (up) 47 Open Access
Notes Fwo; Crp (Ua) Approved Most recent IF: 3.615; 2008 IF: 2.555
Call Number UA @ lucian @ c:irua:69696 Serial 683
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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 UA library record; WoS full record; WoS citing articles
Impact Factor 3.307 Times cited (up) 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 Mao, M.; Benedikt, J.; Consoli, A.; Bogaerts, A.
Title New pathways for nanoparticle formation in acetylene dusty plasmas: a modelling investigation and comparison with experiments Type A1 Journal article
Year 2008 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
Volume 41 Issue Pages
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this paper, the initial mechanisms of nanoparticle formation and growth in radiofrequency acetylene (C2H2) plasmas are investigated by means of a comprehensive self-consistent one-dimensional (1D) fluid model. This model is an extension of the 1D fluid model, developed earlier by De Bleecker et al. Based on the comparison of our previous results with available experimental data for acetylene plasmas in the literature, some new mechanisms for negative ion formation and growth are proposed. Possible routes are considered for the formation of larger (linear and branched) hydrocarbons C2nH2 (n = 3, 4, 5), which contribute to the generation of C2nH− anions (n = 3, 4, 5) due to dissociative electron attachment. Moreover, the vinylidene anion (H2CC−) and higher anions (n = 24) are found to be important plasma species.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000260738100024 Publication Date 2008-10-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.588 Times cited (up) 47 Open Access
Notes Approved Most recent IF: 2.588; 2008 IF: 2.104
Call Number UA @ lucian @ c:irua:71018 Serial 2330
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Author Ionescu, R.; Espinosa, E.H.; Leghrib, R.; Felten, A.; Pireaux, J.-J.; Erni, R.; Van Tendeloo, G.; Bittencourt, C.; Canellas, N.; Llobet, E.
Title Novel hybrid materials for gas sensing applications made of metal-decorated MWCNTs dispersed on nano-particle metal oxides Type A1 Journal article
Year 2008 Publication Sensors and actuators : B : chemical Abbreviated Journal Sensor Actuat B-Chem
Volume 131 Issue 1 Pages 174-182
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000255426800026 Publication Date 2007-11-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0925-4005; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.401 Times cited (up) 47 Open Access
Notes Pai Approved Most recent IF: 5.401; 2008 IF: 3.122
Call Number UA @ lucian @ c:irua:68872 Serial 2377
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Author Amini, M.N.; Dixit, H.; Saniz, R.; Lamoen, D.; Partoens, B.
Title The origin of p-type conductivity in ZnM2O4 (M = Co, Rh, Ir) spinels Type A1 Journal article
Year 2014 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 16 Issue 6 Pages 2588-2596
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract ZnM2O4 (M = Co, Rh, Ir) spinels are considered as a class of potential p-type transparent conducting oxides (TCOs). We report the formation energy of acceptor-like defects using first principles calculations with an advanced hybrid exchange-correlation functional (HSE06) within density functional theory (DFT). Due to the discrepancies between the theoretically obtained band gaps with this hybrid functional and the – scattered – experimental results, we also perform GW calculations to support the validity of the description of these spinels with the HSE06 functional. The considered defects are the cation vacancy and antisite defects, which are supposed to be the leading source of disorder in the spinel structures. We also discuss the band alignments in these spinels. The calculated formation energies indicate that the antisite defects ZnM (Zn replacing M, M = Co, Rh, Ir) and VZn act as shallow acceptors in ZnCo2O4, ZnRh2O4 and ZnIr2O4, which explains the experimentally observed p-type conductivity in those systems. Moreover, our systematic study indicates that the ZnIr antisite defect has the lowest formation energy in the group and it corroborates the highest p-type conductivity reported for ZnIr2O4 among the group of ZnM2O4 spinels. To gain further insight into factors affecting the p-type conductivity, we have also investigated the formation of localized small polarons by calculating the self-trapping energy of the holes.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000329926700040 Publication Date 2013-12-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076;1463-9084; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited (up) 47 Open Access
Notes Fwo; Goa; Hercules Approved Most recent IF: 4.123; 2014 IF: 4.493
Call Number UA @ lucian @ c:irua:114829 Serial 2525
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