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Author Kirschhock, C.E.A.; Liang, D.; Aerts, A.; Aerts, C.A.; Kremer, S.P.B.; Jacobs, P.A.; Van Tendeloo, G.; Martens, J.A. doi  openurl
  Title On the TEM and AFM evidence of zeosil nanoslabs present during the synthesis of silicalite-1 : reply Type L1 Letter to the editor
  Year 2004 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit  
  Volume 43 Issue 35 Pages 4562-4564  
  Keywords L1 Letter to the editor; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000224008400003 Publication Date 2004-08-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1433-7851;1521-3773; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 11.994 Times cited Open Access  
  Notes Fwo; Iap-Pai Approved Most recent IF: 11.994; 2004 IF: 9.161  
  Call Number UA @ lucian @ c:irua:103253 Serial 2457  
Permanent link to this record
 

 
Author Monticelli, O.; Musina, Z.; Russo, S.; Bals, S. pdf  doi
openurl 
  Title On the use of TEM in the characterization of nanocomposites Type A1 Journal article
  Year 2007 Publication Materials letters Abbreviated Journal Mater Lett  
  Volume 61 Issue 16 Pages 3446-3450  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Both an organically modified commercial clay of montmorillonite type (MMT) and its nanocomposites, based either on polyamide 6 (PA6) or an epoxy resin, as matrix polymer, have been characterized by transmission electron microscopy (TEM). Sample micrographs, taken at increasing exposure times (t(e)), have shown the gradual disappearance of clay layers, because of an amorphisation of the MMT crystalline structures caused by prolonged sample exposure to electron beam. Indeed, the above phenomenon, which is mostly evident in the case of intercalated nanocomposites, makes the detection of the layered silicate dispersion in the polymer matrix rather difficult and compels to perform TEM measurements using very short exposure times. Moreover, the microscopy accelerating voltage has turned out to affect sample stability; namely, when decreasing the above parameter, the disappearance of clay structure occurs at lower exposure times. (C) 2006 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000247146100034 Publication Date 2006-12-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0167-577X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.572 Times cited 28 Open Access  
  Notes Approved Most recent IF: 2.572; 2007 IF: 1.625  
  Call Number UA @ lucian @ c:irua:64757 Serial 2460  
Permanent link to this record
 

 
Author Ying, J.; Yang, X.-Y.; Hu, Z.-Y.; Mu, S.-C.; Janiak, C.; Geng, W.; Pan, M.; Ke, X.; Van Tendeloo, G.; Su, B.-L. pdf  doi
openurl 
  Title One particle@one cell : highly monodispersed PtPd bimetallic nanoparticles for enhanced oxygen reduction reaction Type A1 Journal article
  Year 2014 Publication Nano energy Abbreviated Journal Nano Energy  
  Volume 8 Issue Pages 214-222  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Highly monodispersed platinum-based nanoalloys are the best-known catalysts for the oxygen reduction reaction. Although certainly promising, the durability and stability are among the main requirements for commercializing fuel cell electrocatalysts in practical applications. Herein, we synthesize highly stable, durable and catalytic active monodispersed PtPd nano-particles encapsulated in a unique one particle@one cell structure by adjusting the viscosity of solvents using mesocellular foam. PtPd nanoparticles in mesocellular carbon foam exhibit an excellent electrocatalytic activity (over 4 times mass and specific activities than the commercial Pt/C catalyst). Most importantly, this nanocatalyst shows no obvious change of structure and only a 29.5% loss in electrochemically active surface area after 5000 potential sweeps between 0.6 and 1.1 V versus reversible hydrogen electrode cycles. (C) 2014 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000340981700026 Publication Date 2014-06-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2211-2855; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.343 Times cited 40 Open Access  
  Notes Approved Most recent IF: 12.343; 2014 IF: 10.325  
  Call Number UA @ lucian @ c:irua:119255 Serial 2465  
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Author Yang, X.-Y.; Li, Y.; Van Tendeloo, G.; Xiao, F.-S.; Su, B.-L. pdf  doi
openurl 
  Title One-pot synthesis of catalytically stable and active nanoreactors: encapsulation of size-controlled nanoparticles within a hierarchically macroporous core@ordered mesoporous shell system Type A1 Journal article
  Year 2009 Publication Advanced materials Abbreviated Journal Adv Mater  
  Volume 21 Issue 13 Pages 1368-1372  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Size-controlled, catalytically active nanoparticles are successfully encapsulated in a one-pot synthesis to form novel hierarchical macroporous core@mesoporous shell structures, where macroporous cores are connected by uniform and ordered mesoporous channels. Most importantly, the encapsulated nanoparticles can be used as nanoreactors, with high activities and excellent long-term recycling stability.  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000265432700011 Publication Date 2009-01-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0935-9648;1521-4095; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 19.791 Times cited 61 Open Access  
  Notes Iap Approved Most recent IF: 19.791; 2009 IF: NA  
  Call Number UA @ lucian @ c:irua:77316 Serial 2466  
Permanent link to this record
 

 
Author Kirilenko, D.A.; Dideykin, A.T.; Aleksenskiy, A.E.; Sitnikova, A.A.; Konnikov, S.G.; Vul', A.Y. pdf  doi
openurl 
  Title One-step synthesis of a suspended ultrathin graphene oxide film: Application in transmission electron microscopy Type A1 Journal article
  Year 2015 Publication Micron Abbreviated Journal Micron  
  Volume 68 Issue 68 Pages 23-26  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Ultrathin graphene films find their use as advantageous support for nano- and biomaterials investigations. Thin film causes a very slight deterioration to measured signals, thus providing more details of the object's structure at nanoscale. The ultimate thinness of graphene works in the best way for this purpose. However, obtaining suspended thin film of a large-area, which is convenient for applications, is often a relatively complicated and time-consuming task. Here we present a one-step 1-min technique for synthesis of an extremely thin (about 1-2 nm) continuous film suspended over cells of a conventional copper grid (50-400 mu m mesh). This technique enables us to acquire a large-area film which is water-resistant, stable in organic solvents and can act as a support when studying nanoparticles or biomaterials. Moreover, the very mechanism of the film formation can be interesting from the point of view of other applications of ultrathin graphene oxide papers. (C) 2014 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000348016500004 Publication Date 2014-08-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0968-4328; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.98 Times cited 13 Open Access  
  Notes Approved Most recent IF: 1.98; 2015 IF: 1.988  
  Call Number c:irua:123800 Serial 2467  
Permanent link to this record
 

 
Author Lukashin, A.V.; Eliseev, A.A.; Zhuravleva, N.G.; Vertegel, A.A.; Tretyakov, Y.D.; Lebedev, O.I.; Van Tendeloo, G. doi  openurl
  Title One-step synthesis of shelled PbS nanoparticles in a layered double hydroxide matrix Type A1 Journal article
  Year 2004 Publication Mendeleev communications Abbreviated Journal Mendeleev Commun  
  Volume Issue 4 Pages 174-176  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The one-step preparation of capped PbS nanoparticles in an inorganic matrix via UV-induced decomposition of lead thiosulfate complexes intercalated into a hydrotalcite-type layered double hydroxide is reported.  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000224247100025 Publication Date 2004-09-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0959-9436; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.741 Times cited 9 Open Access  
  Notes Approved Most recent IF: 1.741; 2004 IF: 0.640  
  Call Number UA @ lucian @ c:irua:103735 Serial 2468  
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Author Simoen, E.; Loo, R.; Claeys, C.; de Gryse, O.; Clauws, P.; van Landuyt, J.; Lebedev, O. pdf  url
doi  openurl
  Title Optical spectroscopy of oxygen precipitates in heavily doped p-type silicon Type A1 Journal article
  Year 2002 Publication Journal of physics : condensed matter T2 – Conference on Extended Defects in Semiconductors (EDS 2002), JUN 01-06, 2002, BOLOGNA, ITALY Abbreviated Journal J Phys-Condens Mat  
  Volume 14 Issue 48 Pages 13185-13193  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Results are presented on the photoluminescence (PL) characterization of heavily doped p(+) Czochralski silicon, which has been subjected to a two-step, oxygen precipitation heat treatment. It will be shown that the presence of oxygen precipitates gives rise to the D1, D2 and D5 lines, where the energy of the D1 line shifts to lower values for a stronger degree of precipitation. The occurrence of these PL features is also a function of the boron concentration in the p(+) material. The PL results are compared with Fourier transform infrared absorption data and with transmission electron microscope, results. From this, it is concluded that PL has a good potential for use in the assessment of oxygen precipitation in heavily doped silicon.  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000180091100068 Publication Date 2002-11-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 3 Open Access  
  Notes Approved Most recent IF: 2.649; 2002 IF: 1.775  
  Call Number UA @ lucian @ c:irua:103326 Serial 2477  
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Author Verbeeck, J.; Hébert; Rubino, S.; Novák, P.; Rusz, J.; Houdellier, F.; Gatel, C.; Schattschneider, P. doi  openurl
  Title Optimal aperture sizes and positions for EMCD experiments Type A1 Journal article
  Year 2008 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 108 Issue 9 Pages 865-872  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The signal-to-noise ratio (SNR) in energy-loss magnetic chiral dichroism (EMCD)the equivalent of X-ray magnetic circular dichroism (XMCD) in the electron microscopeis optimized with respect to the detector shape, size and position. We show that an important increase in SNR over previous experiments can be obtained when taking much larger detector sizes. We determine the ideal shape of the detector but also show that round apertures are a good compromise if placed in their optimal position. We develop the theory for a simple analytical description of the EMCD experiment and then apply it to dynamical multibeam Bloch wave calculations and to an experimental data set. In all cases it is shown that a significant and welcome improvement of the SNR is possible.  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000258747600009 Publication Date 2008-03-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.843 Times cited 27 Open Access  
  Notes This work was supported by the European Commission under contract no. 508971 CHIRALTEM. J.V. and F.H. thank the financial support from the European Union under the Framework 6 program under a contract for an Integrated Infrastructure Initiative. Reference 026019 ESTEEM. Thanks to J.P. Morniroli for making the Fe sample available. Approved Most recent IF: 2.843; 2008 IF: 2.629  
  Call Number UA @ lucian @ c:irua:76492UA @ admin @ c:irua:76492 Serial 2480  
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Author Van Aert, S.; den Dekker, A.J.; van Dyck, D.; van den Bos, A. doi  openurl
  Title Optimal experimental design of STEM measurement of atom column positions Type A1 Journal article
  Year 2002 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 90 Issue Pages 273-289  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab  
  Abstract  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000174770900004 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.843 Times cited 35 Open Access  
  Notes Approved Most recent IF: 2.843; 2002 IF: 1.772  
  Call Number UA @ lucian @ c:irua:47517 Serial 2483  
Permanent link to this record
 

 
Author Grieten, E.; Caen, J.; Schryvers, D. pdf  doi
openurl 
  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 (up) 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 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  
Permanent link to this record
 

 
Author Bals, S.; Van Tendeloo, G.; Rijnders, G.; Blank, D.H.A.; Leca, V.; Salluzzo, M. doi  openurl
  Title Optimisation of superconducting thin films by TEM Type A1 Journal article
  Year 2002 Publication Physica: C : superconductivity Abbreviated Journal Physica C  
  Volume 372/376 Issue part 2 Pages 711-714  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract High-resolution electron microscopy is used to study the initial growth of different REBa2CU3O7-5 thin films. In DyBa2CU3O7-5 ultra-thin films, deposited on TiO2 terminated SrTiO3, two different types of interface arrangements occur: bulk-SrO-TiO2-BaO-CuO-BaO-CuO2-Dy-CuO2-BaO-bulk and bulk-SrO-TiO2-BaO-CuO2-Dy-CuO2-BaO-CuO-BaO-bulk. This variable growth sequence is the origin of the presence of antiphase boundaries. In Nd1+xBa2-xCu3O7-5 thin films, antiphase boundaries tend to annihilate by the insertion of extra Nd-layers. This annihilation is correlated with the flat morphology of the film and the absence of growth spirals at the surface of the Nd-rich films. (C) 2002 Elsevier Science B.V. All rights reserved.  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000178018800033 Publication Date 2002-08-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-4534; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.404 Times cited 6 Open Access  
  Notes Approved Most recent IF: 1.404; 2002 IF: 0.912  
  Call Number UA @ lucian @ c:irua:54796 Serial 2485  
Permanent link to this record
 

 
Author Cao, S.; Tirry, W.; van den Broek, W.; Schryvers, D. pdf  doi
openurl 
  Title Optimization of a FIB/SEM slice-and-view study of the 3D distribution of Ni4Ti3 precipitates in NiTi Type A1 Journal article
  Year 2009 Publication Journal of microscopy Abbreviated Journal J Microsc-Oxford  
  Volume 233 Issue 1 Pages 61-68  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab  
  Abstract The 3D morphology and distribution of lenticular Ni4Ti3 precipitates in the austenitic B2 matrix of a binary Ni51Ti49 alloy has been investigated by a slice-and-view procedure in a dual-beam focused ion beam/scanning electron microscope system. Due to the weak contrast of the precipitates, proper imaging conditions need to be selected first to allow for semi-automated image treatment. Knowledgeable imaging is further needed to ensure that all variants of the precipitates are observed with equal probability, regardless of sample orientation. Finally, a volume ratio of 10.2% for the Ni4Ti3 precipitates could be calculated, summed over all variants, which yields a net composition of Ni50.27Ti49.73 for the matrix, leading to an increase of 125 degrees for the martensitic start temperature. Also, the expected relative orientation of the different variants of the precipitates could be confirmed.  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000262511900008 Publication Date 2009-01-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-2720;1365-2818; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.692 Times cited 22 Open Access  
  Notes Multimat Fwo; G0465.05 Approved Most recent IF: 1.692; 2009 IF: 1.612  
  Call Number UA @ lucian @ c:irua:76026 Serial 2486  
Permanent link to this record
 

 
Author Horvath, Z.E.; Biro, L.P.; Van Tendeloo, G.; Tondeur, C.; Bister, G.; Pierard, N.; Fonseca, A.; Nagy, J.B. openurl 
  Title Optimization of the amount of catalyst and reaction time in single wall nanotube production Type A1 Journal article
  Year 2003 Publication Diffusion and defect data : solid state data : part B : solid state phenomena Abbreviated Journal Solid State Phenom  
  Volume 94 Issue Pages 271-274  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The influence of the amount of catalyst and the reaction time on the quantity and quality of catalytically grown single wall carbon nanotubes (SWNT) was investigated. The aim was to optimize some of the SWNT growth parameters using TEM and HRTEM. The thickness of catalyst layer influences the synthesis of the nanotube because the gas composition can differ between top and bottom. Microscopic investigation of the grown SWNT samples showed that the thicker the catalyst layer the lower relative nanotube content, so the deeper parts of the catalyst layer are less effective: The optimum time for the reaction was found to be 10 minutes. This may be understood assuming that nanotube growth needs an initial incubation time while the activity of the catalyst decreases steadily until the nariotube growth stops.  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication Vaduz Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1012-0394; 1662-9779 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:94860 Serial 2490  
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Author Boschker, H.; Huijben, M.; Vailinois, A.; Verbeeck, J.; Van Aert, S.; Luysberg, M.; Bals, S.; Van Tendeloo, G.; Houwman, E.P.; Koster, G.; Blank, D.H.A.; Rijnders, G. pdf  doi
openurl 
  Title Optimized fabrication of high-quality La0.67Sr0.33MnO3 thin films considering all essential characteristics Type A1 Journal article
  Year 2011 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 44 Issue 20 Pages 205001-205001,9  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract In this paper, an overview of the fabrication and properties of high-quality La0.67Sr0.33MnO3 (LSMO) thin films is given. A high-quality LSMO film combines a smooth surface morphology with a large magnetization and a small residual resistivity, while avoiding precipitates and surface segregation. In the literature, typically only a few of these issues are adressed. We therefore present a thorough characterization of our films, which were grown by pulsed laser deposition. The films were characterized with reflection high energy electron diffraction, atomic force microscopy, x-ray diffraction, magnetization and transport measurements, x-ray photoelectron spectroscopy and scanning transmission electron microscopy. The films have a saturation magnetization of 4.0 µB/Mn, a Curie temperature of 350 K and a residual resistivity of 60 µΩ cm. These results indicate that high-quality films, combining both large magnetization and small residual resistivity, were realized. A comparison between different samples presented in the literature shows that focussing on a single property is insufficient for the optimization of the deposition process. For high-quality films, all properties have to be adressed. For LSMO devices, the thin-film quality is crucial for the device performance. Therefore, this research is important for the application of LSMO in devices.  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000290150900001 Publication Date 2011-04-29  
  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 99 Open Access  
  Notes This research was financially supported by the Dutch Science Foundation, by NanoNed, a nanotechnology program of the Dutch Ministry of Economic Affairs, and by the NanOxide program of the European Science Foundation. This work is supported in part by the Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, under contract DE-AC02-76SF00515. Approved Most recent IF: 2.588; 2011 IF: 2.544  
  Call Number UA @ lucian @ c:irua:89557UA @ admin @ c:irua:89557 Serial 2491  
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Author Tikhomirov, V.K.; Rodríguez, V.D.; Méndez-Ramos, J.; del- Castillo, J.; Kirilenko, D.; Van Tendeloo, G.; Moshchalkov, V.V. pdf  doi
openurl 
  Title Optimizing Er/Yb ratio and content in Er-Yb co-doped glass-ceramics for enhancement of the up- and down-conversion luminescence Type A1 Journal article
  Year 2012 Publication Solar energy materials and solar cells Abbreviated Journal Sol Energ Mat Sol C  
  Volume 100 Issue Pages 209-215  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Er3+Yb3+ co-doped transparent glass-ceramics with varying Er/Yb content and ratio have been prepared. High quantum yields for up- and down-conversion luminescence by energy transfer from Yb3+ to Er3+ and from Er3+ to Yb3+, respectively, have been detected and optimized with respect to the Er/Yb content and ratio, and proposed in particular for up- and down-conversion of solar spectrum for enhancement of the efficiency of solar cells. The rise and decay kinetics for the population of the excited levels of Er3+ and Yb3+ have been studied and fit. Based on these experimental data, the mechanisms for the energy transfers have been suggested with emphasis on the optimized Er/Yb content and ratio for enhancement of the efficiency of the Er3+↔Yb3+ energy transfers.  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000303034700030 Publication Date 2012-02-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0927-0248; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.784 Times cited 66 Open Access  
  Notes Fwo Approved Most recent IF: 4.784; 2012 IF: 4.630  
  Call Number UA @ lucian @ c:irua:97392 Serial 2493  
Permanent link to this record
 

 
Author Krekels, T.; Milat, O.; Van Tendeloo, G.; Amelinckx, S.; Babu, T.G.N.; Wright, A.J.; Greaves, C. pdf  doi
openurl 
  Title Order and disorder in (Nd,Ce)nO2nSr2GaCu2O5 and YSr2CoCu2O7 Type A1 Journal article
  Year 1993 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem  
  Volume 105 Issue 2 Pages 313-335  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication London Editor  
  Language Wos A1993LT32700002 Publication Date 2002-10-07  
  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 2.133 Times cited 50 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:102965 Serial 2499  
Permanent link to this record
 

 
Author Enjalbert, R.; Galy, J.; Castro, A.; Lidin, S.; Withers, R.; Van Tendeloo, G. doi  openurl
  Title Order and twining in Sb2W0.75Mo0.25O6 Type A1 Journal article
  Year 2003 Publication Solid state sciences Abbreviated Journal Solid State Sci  
  Volume 5 Issue 5 Pages 721-724  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000183284700006 Publication Date 2003-05-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1293-2558; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.811 Times cited 3 Open Access  
  Notes Approved Most recent IF: 1.811; 2003 IF: 1.327  
  Call Number UA @ lucian @ c:irua:54697 Serial 2500  
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Author Bohr, J.; Gibbs, D.; Sinha, S.K.; Krätschmer, W.; Van Tendeloo, G.; Larsen, E.; Egsgaard, H.; Berman, L.E. pdf  doi
openurl 
  Title Order, disorder and structure of crystals C60/C70 Type A1 Journal article
  Year 1992 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett  
  Volume 17 Issue 4 Pages 327-332  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Single crystals with two different morphologies, black and brown, of C60 with about 12% C70 have been studied by synchrotron X-ray diffraction. Integrated intensities from 8 reflections show that the charge distribution of the C60 cluster is shell-like giving rise to an oscillatory behaviour in the diffracted intensities. From the intensities, the distance between diametrically opposite carbon atoms has been determined to be (7.24 +/- 0.22) angstrom. The thickness of the charge distribution of the shell can be estimated as 3.06 angstrom and the cavity within a C60 cluster to have a diameter of about 4.18 angstrom. The finite longitudinal width of the diffraction peaks from black crystals indicates a lack of long-range crystalline order. The rocking curves are about 7-degrees broad and depict an unusually smooth behaviour. This may be indicative of a glassy or hexatic phase. High-resolution electron microscopy allows small crystallites with a relatively well-defined orientation relationship to be identified. In contrast, brown crystals have long-range order.  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication Paris Editor  
  Language Wos A1992GV54200008 Publication Date 2007-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0295-5075;1286-4854; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.095 Times cited 15 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:4434 Serial 2501  
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Author Kirschhock, C.E.A.; Liang, D.; Van Tendeloo, G.; Fécant, A.; Hastoye, G.; Vanbutsele, G.; Bats, N.; Guillon, E.; Martens, J.A. pdf  doi
openurl 
  Title Ordered end-member of ZSM-48 zeolite family Type A1 Journal article
  Year 2009 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 21 Issue 2 Pages 371-380  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract ZSM-48 and related zeolites are considered to be highly disordered structures. Different polytypes can be clearly distinguished by simulation of high-resolution electron microscopy images. Synthesis of phase-pure polytypes was attempted. One of the investigated samples crystallized via seeding designated as COK-8 consisted of nanoscopic, needlelike crystals with a very large length/width ratio, growing along the pore direction. These specimens are phase-pure polytype 6 (PT6, numbering according to Lobo and van Koningsveld). Aggregates of these nanoneedles occasionally contained a second polytype: PT1. The latter polytype occurred more abundantly in larger crystal rods in an IZM-1 sample crystallized in ethylene glycol. Here too, the isolated crystallites mainly consist of large, defect-free regions of PT6. A simulation of polytype lattice energies offers a rational explanation for the observed polytypical intergrowth formation.  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000262605200026 Publication Date 2008-12-30  
  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 30 Open Access  
  Notes Fwo; Goa Approved Most recent IF: 9.466; 2009 IF: 5.368  
  Call Number UA @ lucian @ c:irua:76032 Serial 2503  
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Author Nistor, L.; Van Tendeloo, G.; Amelinckx, S.; Shpanchenko, R.V.; van Landuyt, J. openurl 
  Title Ordering and defects in BanTaxTiyO3n ternary oxides Type P1 Proceeding
  Year 1994 Publication Electron Microscopy 1994, Vols 2a And 2b: Applications In Materials Sciences Abbreviated Journal  
  Volume Issue Pages 869-870  
  Keywords P1 Proceeding; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication Editor  
  Language Wos A1994BE09Y00422 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2-86883-226-1 ISBN Additional Links UA library record; WoS full record;  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:104477 Serial 2504  
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Author Abakumov, A.M.; Alekseeva, A.M.; Rozova, M.G.; Antipov, E.V.; Lebedev, O.I.; Van Tendeloo, G. pdf  doi
openurl 
  Title Ordering of tetrahedral chains in the Sr2MnGaO5 brownmillerite Type A1 Journal article
  Year 2003 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem  
  Volume 174 Issue 2 Pages 319-328  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Tetrahedral chain ordering in the Sr2MnGaO5 structure is studied using electron diffraction (ED) and high-resolution electron microscopy. The ED patterns show the presence of satellite reflections, which indicate a commensurately modulated structure with a = 5.4056(8) Angstrom b 16.171(3) Angstrom, c = 5.5592(7) Angstrom, q – 1/2c*, superspace group Immma(00gamma,)s00. The Superstructure arises due to ordering of the two types of symmetry related tetrahedral chains (L and R) according to a ... LRLR ... sequence, where L and R chains alternate along the c-axis within the same (GaO) layer. Numerous defects at different structural levels were observed, comprising interleaving L and R chains, violation of the ... LRLR ... chain sequence within one layer, different stacking modes of the ... LRLR ... ordered layers with subsequent alternation of blocks of different width along the h-axis of the brownmillerite subcell and island fragmentation of the modulated superstructure. By in situ heating ED experiments it is found that the long-range ordering of the tetrahedral chains is stable tip to 665degreesC and is completely suppressed at 905degreesC. (C) 2003 Elsevier Inc. All rights reserved.  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000185180500011 Publication Date 2003-07-22  
  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 34 Open Access  
  Notes Approved Most recent IF: 2.299; 2003 IF: 1.413  
  Call Number UA @ lucian @ c:irua:94846 Serial 2506  
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Author Panin, R.V.; Khasanova, N.R.; Bougerol, C.; Schnelle, W.; Van Tendeloo, G.; Antipov, E.V. pdf  doi
openurl 
  Title Ordering of Pd2+ and Pd4+ in the mixed-valent palladate KPd2O3 Type A1 Journal article
  Year 2010 Publication Inorganic chemistry Abbreviated Journal Inorg Chem  
  Volume 49 Issue 4 Pages 1295-1297  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A new potassium palladate KPd2O3 was synthesized by the reaction of KO2 and PdO at elevated oxygen pressure. Its crystal structure was solved from powder X-ray diffraction data in the space group Rm (a = 6.0730(1) Å, c = 18.7770(7) Å, and Z = 6). KPd2O3 represents a new structure type, consisting of an alternating sequence of K+ and Pd2O3− layers with ordered Pd2+ and Pd4+ ions. The presence of palladium ions in di- and tetravalent low-spin states was confirmed by magnetic susceptibility measurements.  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication Easton, Pa Editor  
  Language Wos 000274240700009 Publication Date 2010-01-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.857 Times cited 9 Open Access  
  Notes Iap Iv Approved Most recent IF: 4.857; 2010 IF: 4.326  
  Call Number UA @ lucian @ c:irua:80990 Serial 2507  
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Author Van Tendeloo, G.; Hervieu, M.; Zhang, X.F.; Raveau, B. pdf  doi
openurl 
  Title Ordering principles and defect structure of “1201”, “1212”, and “1222” type (Hg,Pr)-Sr-(Sr,Ca,Pr)-Cu-O superconductors Type A1 Journal article
  Year 1995 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem  
  Volume 114 Issue 2 Pages 369-378  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The new families of superconducting compounds ''1201'' (Hg0.4Pr0.6Sr2CuO4+delta), ''1212'' (Hg0.4Pr0.6Sr2(Ca1-x-ySrxPry) Cu2O6+delta), and ''1222'' (Hg0.4Pr0.6Sr2(Pr1.7Sr0.3)(2)Cu2O8+delta) all show ordering between praseodymium and mercury in the (Hg,Pr)O-delta plane, reducing the symmetry from tetragonal to orthorhombic or even to monoclinic. In the 1201 compound the ordered superstructure can be described as O-I (a(I) approximate to 2a(p), b(I), approximate to a(p), c(I) approximate to c(1201)). In the 1212 compound two distinct superstructures are identified, O-I (a(I) approximate to 2a(p), b(II) approximate to a(p), c(I) approximate to c(1212)) and O-II (a(II) approximate to 2a(p), b(II) approximate to a(p), c(II) approximate to 2c(1212)). In some compounds, such as Hg0.4Pr0.6Sr2(Ca0.4Sr0.4Pr0.2) Cu2O6+delta, the Hg-Pr ordering is only present in microdomains, but due to an ordering between Sr layers and Ca layers, the c-axis doubles and one obtains a tetragonal superstructure T-III (a(III) approximate to a(p), c(III) approximate to 2c(1212)). In the 1222 compound, ordering in the (Pr,Hg)O-delta plane is very defective; a large number of translation defects actually reduce the symmetry to triclinic. (C) 1995 Academic Press, Inc.  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication London Editor  
  Language Wos A1995QH33100011 Publication Date 2002-10-07  
  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 2.133 Times cited 11 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:13308 Serial 2508  
Permanent link to this record
 

 
Author Milat, O.; Krekels, T.; Van Tendeloo, G.; Amelinckx, S. openurl 
  Title Ordering principles for tetrahedral chains in Ga- and Co-substituted YBCO intergrowths Type A1 Journal article
  Year 1993 Publication Journal de physique: 1: physique générale, physique statistique, matière condensée, domaines interdisciplinaires Abbreviated Journal  
  Volume 3 Issue 5 Pages 1219-1234  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A model for superstructure ordering in the <<chain>> layers of Ga (Co) substituted YBCO intergrowths with general formula (REO2)NSr2MCu2O5 (M = Co, Ga; n = 1, 2, ...) is proposed. By Ga or Co substitution for Cu, the structure of the <<chain>> layer changes : instead of the CuO4 planar squares, the chains consist of MO4 tetrahedra (M = Ga, Co) running along the [110] perovskite direction. The existing model for the Ga substituted <<123>> implies that all the chains are the same. Our new model is based on the results of Electron diffraction and High-resolution electron microscopy investigations. The model reveals the occurrence of two types of chains as a consequence of <<opposite>> ordering between neighbouring tetrahedra. The comer linked tetrahedra in each chain appear as alternatingly rotated in opposite sense, and a chain itself, as being displaced with respect to the underlying structure in one of two senses ; either forth (right) or back (left) along the chain direction. The regular alternation of chains of opposite type doubles the periodicity within a layer and induces the possibility for intrinsic disorder in the chain layer stacking sequence. The planar superstructure and a staggered stacking of the tetrahedral chain layers is found irrespective of the rest of the intergrowth structure. Superstructure ordering in the case of Co substitution is more perfect than for the Ga substitution.  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication Les Ulis Editor  
  Language Wos A1993LC96100012 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1155-4304 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 16 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:102980 Serial 2509  
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Author Lamoen, D.; March, N.H. pdf  doi
openurl 
  Title Orientational disorder in some molecular solids in relation to the boson peak in glasses Type A1 Journal article
  Year 2009 Publication Physics letters : A Abbreviated Journal Phys Lett A  
  Volume 373 Issue 7 Pages 799-800  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Orientational disorder in some molecular solids is discussed in relation to the emphasis placed on transverse vibrational modes in glasses as the origin of the observed boson peak in two very recent contributions in Nature Materials. In particular, facts are here presented for (i) CH4, (ii) C60 and (iii) ethanol in their solid phases for (a) specific heat and (b) neutron scattering. The results for ethanol in particular do not fit in with the interpretation of the boson peak in terms of transverse acoustic phonons in disordered systems. Glasses will therefore have to be separated into at least two classes where the physical interpretation of the boson peak is concerned.  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000263515500020 Publication Date 2009-01-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0375-9601; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.772 Times cited 3 Open Access  
  Notes Bof Approved Most recent IF: 1.772; 2009 IF: 2.009  
  Call Number UA @ lucian @ c:irua:72917 Serial 2516  
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Author Lorenz, H.; Zhao, Q.; Turner, S.; Lebedev, O.I.; Van Tendeloo, G.; Kloetzer, B.; Rameshan, C.; Pfaller, K. pdf  doi
openurl 
  Title Origin of different deactivation of Pd/SnO2 and Pd/GeO2 catalysts in methanol dehydrogenation and reforming: a comparative study Type A1 Journal article
  Year 2010 Publication Applied catalysis : A : general Abbreviated Journal Appl Catal A-Gen  
  Volume 381 Issue 1/2 Pages 242-252  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Pd particles supported on SnO2 and GeO2 have been structurally investigated by X-ray diffraction, (High-Resolution) transmission and scanning electron microscopy after different reductive treatments to monitor the eventual formation of bimetallic phases and catalytically tested in methanol dehydrogenation/ reforming. For both oxides this included a thin film sample with well-defined Pd particles and a powder catalyst prepared by incipient wetness impregnation. The hexagonal and the tetragonal polymorph were studied for powder GeO2. Pd2Ge formation was observed on all GeO2-supported catalysts, strongly depending on the specific sample used. Reduction of the thin film at 573K resulted in full transformation into the bimetallic state. The partial solubility of hexagonal GeO2 in water and its thermal structural instability yielded Pd2Ge formation at 473 K, at the cost of a structurally inhomogeneous support and Ge metal formation at higher reduction temperatures. Pd on tetragonal GeO2 entered a state of strong metalsupport interaction after reduction at 573673 K, resulting in coalescing Pd2Ge particles on a sintered and re-crystallized support, apparently partially covering the bimetallic particles and decreasing the catalytic activity. Pd2Ge on amorphous thin film and hexagonal GeO2 converted methanol primarily via dehydrogenation to CO and H2. At 573 K, formation of Pd2Sn and also PdSn occurred on the Pd/SnO2 thin film. Pd3Sn2 (and to some extent Pd2Sn) were predominantly obtained on the respective powder catalyst. Strong deactivation with increasing reduction temperature was observed, likely not based on the classical strong metalsupport interaction effect, but rather on a combination of missing active structural ensembles on Sn-enriched bimetallic phases and the formation of metallic -Sn. Correlations to Pd and its bimetallics supported on ZnO, Ga2O3 and In2O3 were also discussed.  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000279100700029 Publication Date 2010-04-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0926-860X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.339 Times cited 14 Open Access  
  Notes Esteem 026019 Approved Most recent IF: 4.339; 2010 IF: 3.384  
  Call Number UA @ lucian @ c:irua:83927 Serial 2522  
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Author Van Tendeloo, G.; Amelinckx, S. pdf  doi
openurl 
  Title The origin of diffuse intensity in electron diffraction patterns Type A1 Journal article
  Year 1998 Publication Phase transitions Abbreviated Journal Phase Transit  
  Volume 67 Issue Pages 101-135  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication New York Editor  
  Language Wos 000079806000006 Publication Date 2007-07-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0141-1594;1029-0338; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.06 Times cited 17 Open Access  
  Notes Approved Most recent IF: 1.06; 1998 IF: 0.551  
  Call Number UA @ lucian @ c:irua:25682 Serial 2523  
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Author da Pieve, F.; Di Matteo, S.; Rangel, T.; Giantomassi, M.; Lamoen, D.; Rignanese, G.-M.; Gonze, X. url  doi
openurl 
  Title Origin of magnetism and quasiparticles properties in Cr-doped TiO2 Type A1 Journal article
  Year 2013 Publication Physical review letters Abbreviated Journal Phys Rev Lett  
  Volume 110 Issue 13 Pages 136402-136405  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Combining the local spin density approximation (LSDA)+U and an analysis of superexchange interactions beyond density functional theory, we describe the magnetic ground state of Cr-doped TiO2, an intensively studied and debated dilute magnetic oxide. In parallel, we correct our LSDA+U (+ superexchange) ground state through GW corrections (GW@LSDA+U) that reproduce the position of the impurity states and the band gaps in satisfying agreement with experiments. Because of the different topological coordinations of Cr-Cr bonds in the ground states of rutile and anatase, superexchange interactions induce either ferromagnetic or antiferromagnetic couplings of Cr ions. In Cr-doped anatase, this interaction leads to a new mechanism which stabilizes a (nonrobust) ferromagnetic ground state, in keeping with experimental evidence, without the need to invoke F-center exchange. The interplay between structural defects and vacancies in contributing to the superexchange is also unveiled.  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000316683500014 Publication Date 2013-03-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.462 Times cited 15 Open Access  
  Notes Goa; Iwt Approved Most recent IF: 8.462; 2013 IF: 7.728  
  Call Number UA @ lucian @ c:irua:107281 Serial 2524  
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Author Amini, M.N.; Dixit, H.; Saniz, R.; Lamoen, D.; Partoens, B. pdf  doi
openurl 
  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 (up) 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 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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Author Fang, C.M.; Sluiter, M.H.F.; van Huis, M.; Ande, C.K.; Zandbergen, H.W. url  doi
openurl 
  Title Origin of predominance of cementite among iron carbides in steel at elevated temperature Type A1 Journal article
  Year 2010 Publication Physical review letters Abbreviated Journal Phys Rev Lett  
  Volume 105 Issue 5 Pages 4  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A long-standing challenge in physics is to understand why cementite is the predominant carbide in steel. Here we show that the prevalent formation of cementite can be explained only by considering its stability at elevated temperature. A systematic highly accurate quantum mechanical study was conducted on the stability of binary iron carbides. The calculations show that all the iron carbides are unstable relative to the elemental solids, -Fe and graphite. Apart from a cubic Fe23C6 phase, the energetically most favorable carbides exhibit hexagonal close-packed Fe sublattices. Finite-temperature analysis showed that contributions from lattice vibration and anomalous Curie-Weis magnetic ordering, rather than from the conventional lattice mismatch with the matrix, are the origin of the predominance of cementite during steel fabrication processes.  
  Address  
  Corporate Author (up) Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000280472900008 Publication Date 2010-07-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.462 Times cited 65 Open Access  
  Notes Approved Most recent IF: 8.462; 2010 IF: 7.622  
  Call Number UA @ lucian @ c:irua:84064 Serial 2526  
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