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Author Palgrave, R.G.; Borisov, P.; Dyer, M.S.; McMitchell, S.R.C.; Darling, G.R.; Claridge, J.B.; Batuk, M.; Tan, H.; Tian, H.; Verbeeck, J.; Hadermann, J.; Rosseinsky, M.J.; pdf  doi
openurl 
  Title Artificial construction of the layered Ruddlesden-Popper manganite La2Sr2Mn3O10 by reflection high energy electron diffraction monitored pulsed laser deposition Type A1 Journal article
  Year 2012 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 134 Issue 18 Pages 7700-7714  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Pulsed laser deposition has been used to artificially construct the n = 3 Ruddlesden Popper structure La2Sr2Mn3O10 in epitaxial thin film form by sequentially layering La1-xSrxMnO3 and SrO unit cells aided by in situ reflection high energy electron diffraction monitoring. The interval deposition technique was used to promote two-dimensional SrO growth. X-ray diffraction and cross-sectional transmission electron microscopy indicated that the trilayer structure had been formed. A site ordering was found to differ from that expected thermodynamically, with the smaller Sr2+ predominantly on the R site due to kinetic trapping of the deposited cation sequence. A dependence of the out-of-plane lattice parameter on growth pressure was interpreted as changing the oxygen content of the films. Magnetic and transport measurements on fully oxygenated films indicated a frustrated magnetic ground state characterized as a spin glass-like magnetic phase with the glass temperature T-g approximate to 34 K. The magnetic frustration has a clear in-plane (ab) magnetic anisotropy, which is maintained up to temperatures of 150 K. Density functional theory calculations suggest competing antiferromagnetic and ferromagnetic long-range orders, which are proposed as the origin of the low-temperature glassy state.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000303696200029 Publication Date 2012-03-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 27 Open Access  
  Notes Fwo; Esteem 026019 Approved Most recent IF: 13.858; 2012 IF: 10.677  
  Call Number UA @ lucian @ c:irua:98947UA @ admin @ c:irua:98947 Serial 153  
Permanent link to this record
 
 
Author Phung, Q.M.; Vancoillie, S.; Pourtois, G.; Swerts, J.; Pierloot, K.; Delabie, A. doi  openurl
  Title Atomic layer deposition of ruthenium on a titanium nitride surface : a density functional theory study Type A1 Journal article
  Year 2013 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 117 Issue 38 Pages 19442-19453  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Because of its excellent properties in nanotechnology applications, atomic layer deposition of ruthenium (Ru) has been the subject of numerous experimental studies. Recently, two different Ru precursors were compared for plasma-enhanced atomic layer deposition (PEALD) of Ru, and their reactivity was found to be different. Inhibition was observed for bis(ethylcyclopentadienyl)ruthenium (Ru(EtCp)(2)), while nearly linear growth behavior was observed for (methylcyclopentadienyl-pyrrolyl)ruthenium (Ru(MeCp)Py). To understand this difference in reactivity, we investigate the adsorption of RuCp, and RuCpPy (i.e., without substituents) on a TiN surface using calculations based on periodic boundary conditions density functional theory (DFT) combined with experiments based on Rutherford backscattering spectroscopy (RBS). The calculations demonstrate that the RuCpPy precursor chemisorbs on the TiN(100) surface while the RuCp2 precursor only physisorbs. We propose a reaction mechanism for the chemisorption of RuCpPy. The area density of the calculated RuCpPy surface species is compared with the experimental values from RBS. The impact of a H-plasma is also investigated. The DFT calculations and experimental results from RBS provide insight into the adsorption processes of the RuCpPy and RuCp2 precursors on the TiN(100) surface.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000330162500022 Publication Date 2013-08-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.536 Times cited 6 Open Access  
  Notes Approved Most recent IF: 4.536; 2013 IF: 4.835  
  Call Number UA @ lucian @ c:irua:114855 Serial 170  
Permanent link to this record
 
 
Author Quan Manh, P.; Pourtois, G.; Swerts, J.; Pierloot, K.; Delabie, A. doi  openurl
  Title Atomic layer deposition of Ruthenium on Ruthenium surfaces : a theoretical study 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 6592-6603  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Atomic, layer deposition,(ALD of ruthenium using two ruthenium precursors, i.e., Ru(C5H5)(2) (RuCp2) and Ru(C5H5)(C4H4N) (RuCpPy), is studied using density functional theory. By investigating the reaction mechanisms On bare ruthenium surfaces, i.e., (001), (101), and (100), and H-terminated surfaces, an atomistic insight in the Ru ALD is provided. The calculated results show that on the Ru surfaces both RuCp2 and RuCpPy an undergo dehydrogenation and ligand dissociation reactions. RuCpPy is more reactive than RuCp2. By forming a, strong, bond between N of Py and Ru of the surface, RuCpPy can easily chemisorb on the surfaces. The reactions of RuCp2,On the Surfaces are less favorable the adsorption is not strong enough This could be a,factor contributing to the higher growth-per-cycle of Ru using RuCpPy, as observed experimentally. By Studying, the adsorption on H-terminated Ru surfaces, We showed that H Can prevent the adsorption of the precursors, thus inhibiting the growth of Ru. Our calculations indicate that the H content on the surface can have an impact on the growth-per-cycle. Finally, our simulations also demonstrate large impacts of the surface structure on the reaction mechanisms. Of the three surfaces, the (100) surface, which is the less stable and has a zigzag surface structure, is also the most reactive one.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000351970800015 Publication Date 2015-03-04  
  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 10 Open Access  
  Notes Approved Most recent IF: 4.536; 2015 IF: 4.772  
  Call Number c:irua:125544 Serial 171  
Permanent link to this record
 
 
Author Bittencourt, C.; Navio, C.; Nicolay, A.; Ruelle, B.; Godfroid, T.; Snyders, R.; Colomer, J.-F.; Lagos, M.J.; Ke, X.; Van Tendeloo, G.; Suarez-Martinez, I.; Ewels, C.P. pdf  doi
openurl 
  Title Atomic oxygen functionalization of vertically aligned carbon nanotubes 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 42 Pages 20412-20418  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Vertically aligned multiwalled carbon nanotubes (v-MWCNTs) are functionalized using atomic oxygen generated in a microwave plasma. X-ray photoelectron spectroscopy depth profile analysis shows that the plasma treatment effectively grafts oxygen exclusively at the v-MWCNT tips. Electron microscopy shows that neither the vertical alignment nor the structure of v-MWCNTs were affected by the plasma treatment. Density functional calculations suggest assignment of XPS C 1s peaks at 286.6 and 287.5 eV, to epoxy and carbonyl functional groups, respectively.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000296205600009 Publication Date 2011-10-04  
  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 31 Open Access  
  Notes Iap Approved Most recent IF: 4.536; 2011 IF: 4.805  
  Call Number UA @ lucian @ c:irua:91890 Serial 174  
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Author Turner, S.; Verbeeck, J.; Ramezanipour, F.; Greedan, J.E.; Van Tendeloo, G.; Botton, G.A. pdf  doi
openurl 
  Title Atomic resolution coordination mapping in Ca2FeCoO5 brownmillerite by spatially resolved electron energy-loss spectroscopy Type A1 Journal article
  Year 2012 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 24 Issue 10 Pages 1904-1909  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Using a combination of high-angle annular dark field scanning transmission electron microscopy and atomically resolved electron energy-loss spectroscopy at high energy resolution in an aberration-corrected electron microscope, we demonstrate the capability of coordination mapping in complex oxides. Brownmillerite compound Ca2FeCoO5, consisting of repetitive octahedral and tetrahedral coordination layers with Fe and Co in a fixed 3+ valency, is selected to demonstrate the principle of atomic resolution coordination mapping. Analysis of the Co-L2,3 and the Fe-L2,3 edges shows small variations in the fine structure that can be specifically attributed to Co/Fe in tetrahedral or in octahedral coordination. Using internal reference spectra, we show that the coordination of the Fe and Co atoms in the compound can be mapped at atomic resolution.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000304237500024 Publication Date 2012-04-25  
  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 33 Open Access  
  Notes A.M. Abakumov is thanked for fruitful discussions. S.T. gratefully acknowledges the Fund for Scientific Research Flanders (FWO). J.E.G. and GAB. acknowledge the support of the NSERC of Canada through Discovery Grants. The Canadian Centre for Electron Microscopy is a National Facility supported by NSERC and McMaster University and was funded by the Canada Foundation for Innovation and the Ontario Government. Part of this work was supported by funding from the European Research Council under the FP7, ERC Grant N 246791 COUNTATOMS and ERC Starting Grant N 278510 VORTEX. The EMAT microscope is partially funded by the Hercules fund of the Flemish Government. ECASJO_; Approved Most recent IF: 9.466; 2012 IF: 8.238  
  Call Number UA @ lucian @ c:irua:98379UA @ admin @ c:irua:98379 Serial 175  
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Author Bings, N.H.; Bogaerts, A.; Broekaert, J.A.C. doi  openurl
  Title Atomic spectroscopy Type A1 Journal article
  Year 2013 Publication Analytical chemistry Abbreviated Journal Anal Chem  
  Volume 85 Issue 2 Pages 670-704  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000313668400013 Publication Date 2012-11-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700;1520-6882; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited 29 Open Access  
  Notes Approved Most recent IF: 6.32; 2013 IF: 5.825  
  Call Number UA @ lucian @ c:irua:104719 Serial 190  
Permanent link to this record
 
 
Author Bings, N.H.; Bogaerts, A.; Broekaert, J.A.C. doi  openurl
  Title Atomic spectroscopy Type A1 Journal article
  Year 2008 Publication Analytical chemistry Abbreviated Journal Anal Chem  
  Volume 80 Issue 12 Pages 4317-4347  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000256763400006 Publication Date 2008-05-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700;1520-6882; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited 53 Open Access  
  Notes Approved Most recent IF: 6.32; 2008 IF: 5.712  
  Call Number UA @ lucian @ c:irua:69437 Serial 191  
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Author Bings, N.H.; Bogaerts, A.; Broekaert, J.A.C. doi  openurl
  Title Atomic spectroscopy Type A1 Journal article
  Year 2006 Publication Analytical chemistry Abbreviated Journal Anal Chem  
  Volume 78 Issue 12 Pages 3917-3945  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000238252600007 Publication Date 2006-06-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700;1520-6882; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited 112 Open Access  
  Notes Approved Most recent IF: 6.32; 2006 IF: 5.646  
  Call Number UA @ lucian @ c:irua:60058 Serial 192  
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Author Bings, N.H.; Bogaerts, A.; Broekaert, J.A.C. doi  openurl
  Title Atomic spectroscopy Type A1 Journal article
  Year 2004 Publication Analytical chemistry Abbreviated Journal Anal Chem  
  Volume 76 Issue 12 Pages 3313-3336  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000222011100006 Publication Date 2004-06-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700;1520-6882; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited 32 Open Access  
  Notes Approved Most recent IF: 6.32; 2004 IF: 5.450  
  Call Number UA @ lucian @ c:irua:46258 Serial 193  
Permanent link to this record
 
 
Author Bings, N.H.; Bogaerts, A.; Broekaert, J.A.C. doi  openurl
  Title Atomic spectroscopy Type A1 Journal article
  Year 2002 Publication Analytical chemistry Abbreviated Journal Anal Chem  
  Volume 74 Issue 12 Pages 2691-2712  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000176253700006 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700;1520-6882; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited 18 Open Access  
  Notes Approved Most recent IF: 6.32; 2002 IF: 5.094  
  Call Number UA @ lucian @ c:irua:40192 Serial 194  
Permanent link to this record
 
 
Author Bings, N.H.; Bogaerts, A.; Broekaert, J.A.C. doi  openurl
  Title Atomic spectroscopy: a review Type A1 Journal article
  Year 2010 Publication Analytical chemistry Abbreviated Journal Anal Chem  
  Volume 82 Issue 12 Pages 4653-4681  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000278616100001 Publication Date 2010-05-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700;1520-6882; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited 65 Open Access  
  Notes Approved Most recent IF: 6.32; 2010 IF: 5.874  
  Call Number UA @ lucian @ c:irua:82675 Serial 195  
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Author Esken, D.; Turner, S.; Lebedev, O.I.; Van Tendeloo, G.; Fischer, R.A. pdf  doi
openurl 
  Title Au@ZIFs: stabilization and encapsulation of cavity-size matching gold clusters inside functionalized Zeolite Imidazolate Frameworks, ZIFs Type A1 Journal article
  Year 2010 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 22 Issue 23 Pages 6393-6401  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The selective formation and stabilization of very small, naked metal particles inside the cavities of metal organic frameworks (MOFs) and the simultaneous realization of an even distribution of the particles throughout the crystalline MOF host matrix over a wide range of metal loading are challenging goals. MOFs reveal high specific surface areas, tunable pore sizes, and organic linkers, which are able to interact with guests. The chemically very robust zeolite imidazolate frameworks (ZIFs) are a subclass of MOFs. We chose the microporous sodalite-like ZIF-8 (Zn(MelM)(2); IM = imidazolate) and ZIF-90 (Zn(ICA)(2); ICA = imidazolate-2-carboxyaldehyde) as host matrices to influence the dispersion of imbedded gold nanoparticles (Au NPs). The metal loading was achieved via gas phase infiltration of [Au(CO)Cl] followed by a thermal hydrogenation step to form the Au NPs. Low-dose high-resolution transmission electron microscopy ((HR)TEM) and electron tomography reveal a homogeneous distribution of Au NPs throughout the ZIF matrix. The functional groups of ZIF-90 direct the anchoring of intermediate Au species and stabilize drastically smaller and quite monodisperse Au NPs in contrast to the parent not functionalized ZIF-8. The particles can be very small, match the cavity size and approach defined molecular clusters of magic numbers, i.e., Au(55), independently from the level of loading. Post-synthetic oxidation of the aldehyde groups to yield alkyl esters by the adjacent, catalytically active metal NPs is presented as a new concept of encapsulating nanoparticles inside MOFs and allows multiple steps of metal loadings without decomposition of the MOF.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000284975100025 Publication Date 2010-11-12  
  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 194 Open Access  
  Notes Esteem 026019 Approved Most recent IF: 9.466; 2010 IF: 6.400  
  Call Number UA @ lucian @ c:irua:95530 Serial 208  
Permanent link to this record
 
 
Author Gregory, C.L.; Nullens, H.A.; Gijbels, R.H.; van Espen, P.J.; Geuens, I.; de Keyzer, R. doi  openurl
  Title Automated particle analysis of populations of silver halide microcrystals by electron probe microanalysis under cryogenic conditions Type A1 Journal article
  Year 1998 Publication Analytical chemistry Abbreviated Journal Anal Chem  
  Volume 70 Issue Pages 2551-2559  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Chemometrics (Mitac 3)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000074584700047 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700;1520-6882; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited 12 Open Access  
  Notes Approved Most recent IF: 6.32; 1998 IF: 4.580  
  Call Number UA @ lucian @ c:irua:21308 Serial 210  
Permanent link to this record
 
 
Author Neek-Amal, M.; Beheshtian, J.; Sadeghi, A.; Michel, K.H.; Peeters, F.M. doi  openurl
  Title Boron nitride mono layer : a strain-tunable nanosensor Type A1 Journal article
  Year 2013 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 117 Issue 25 Pages 13261-13267  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The influence of triaxial in-plane strain on the electronic properties of a hexagonal boron-nitride sheet is investigated using density functional theory. Different from graphene, the triaxial strain localizes the molecular orbitals of the boron-nitride flake in its center depending on the direction of the applied strain. The proposed technique for localizing the molecular orbitals that are close to the Fermi level in the center of boron nitride flakes can be used to actualize engineered nanosensors, for instance, to selectively detect gas molecules. We show that the central part of the strained flake adsorbs polar molecules more strongly as compared with an unstrained sheet.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000321236400041 Publication Date 2013-06-03  
  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 38 Open Access  
  Notes ; This work was supported by the EU-Marie Curie IIF postdoc Fellowship/299855 (for M.N.-A.), the ESF EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-VI), and the Methusalem Funding of the Flemish government. AS. would like to thank the Universiteit Antwerpen for its hospitality. ; Approved Most recent IF: 4.536; 2013 IF: 4.835  
  Call Number UA @ lucian @ c:irua:109829 Serial 249  
Permanent link to this record
 
 
Author Khalilov, U.; Neyts, E.C.; Pourtois, G.; van Duin, A.C.T. doi  openurl
  Title Can we control the thickness of ultrathin silica layers by hyperthermal silicon oxidation at room temperature? 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 50 Pages 24839-24848  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Using reactive molecular dynamics simulations by means of the ReaxFF potential, we studied the growth mechanism of ultrathin silica (SiO2) layers during hyperthermal oxidation at room temperature. Oxidation of Si(100){2 × 1} surfaces by both atomic and molecular oxygen was investigated in the energy range 15 eV. The oxidation mechanism, which differs from thermal oxidation, is discussed. In the case of oxidation by molecular O2, silica is quickly formed and the thickness of the formed layers remains limited compared to oxidation by atomic oxygen. The Si/SiO2 interfaces are analyzed in terms of partial charges and angle distributions. The obtained structures of the ultrathin SiO2 films are amorphous, including some intrinsic defects. This study is important for the fabrication of silica-based devices in the micro- and nanoelectronics industry, and more specifically for the fabrication of metal oxide semiconductor devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000297947700050 Publication Date 2011-11-16  
  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 36 Open Access  
  Notes Approved Most recent IF: 4.536; 2011 IF: 4.805  
  Call Number UA @ lucian @ c:irua:94303 Serial 273  
Permanent link to this record
 
 
Author Neyts, E.C.; van Duin, A.C.T.; Bogaerts, A. pdf  doi
openurl 
  Title Changing chirality during single-walled carbon nanotube growth : a reactive molecular dynamics/Monte Carlo study Type A1 Journal article
  Year 2011 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 133 Issue 43 Pages 17225-17231  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The growth mechanism and chirality formation of a single-walled carbon nanotube (SWNT) on a surface-bound nickel nanocluster are investigated by hybrid reactive molecular dynamics/force-biased Monte Carlo simulations. The validity of the interatomic potential used, the so-called ReaxFF potential, for simulating catalytic SWNT growth is demonstrated. The SWNT growth process was found to be in agreement with previous studies and observed to proceed through a number of distinct steps, viz., the dissolution of carbon in the metallic particle, the surface segregation of carbon with the formation of aggregated carbon clusters on the surface, the formation of graphitic islands that grow into SWNT caps, and finally continued growth of the SWNT. Moreover, it is clearly illustrated in the present study that during the growth process, the carbon network is continuously restructured by a metal-mediated process, thereby healing many topological defects. It is also found that a cap can nucleate and disappear again, which was not observed in previous simulations. Encapsulation of the nanoparticle is observed to be prevented by the carbon network migrating as a whole over the cluster surface. Finally, for the first time, the chirality of the growing SWNT cap is observed to change from (11,0) over (9,3) to (7,7). It is demonstrated that this change in chirality is due to the metal-mediated restructuring process.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000297380900026 Publication Date 2011-10-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 116 Open Access  
  Notes Approved Most recent IF: 13.858; 2011 IF: 9.907  
  Call Number UA @ lucian @ c:irua:92043 Serial 309  
Permanent link to this record
 
 
Author Stambula, S.; Gauquelin, N.; Bugnet, M.; Gorantla, S.; Turner, S.; Sun, S.; Liu, J.; Zhang, G.; Sun, X.; Botton, G.A. pdf  doi
openurl 
  Title Chemical structure of nitrogen-doped graphene with single platinum atoms and atomic clusters as a platform for the PEMFC electrode Type A1 Journal article
  Year 2014 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 118 Issue 8 Pages 3890-3900  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A platform for producing stabilized Pt atoms and clusters through the combination of an N-doped graphene support and atomic layer deposition (ALD) for the Pt catalysts was investigated using transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM). It was determined, using imaging and spectroscopy techniques, that a wide range of N-dopant types entered the graphene lattice through covalent bonds without largely damaging its structure. Additionally and most notably, Pt atoms and atomic clusters formed in the absence of nanoparticles. This work provides a new strategy for experimentally producing stable atomic and subnanometer cluster catalysts, which can greatly assist the proton exchange membrane fuel cell (PEMFC) development by producing the ultimate surface area to volume ratio catalyst.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000332188100004 Publication Date 2014-02-12  
  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 57 Open Access  
  Notes Fwo Approved Most recent IF: 4.536; 2014 IF: 4.772  
  Call Number UA @ lucian @ c:irua:115571 Serial 352  
Permanent link to this record
 
 
Author Li, Y.; Yang, X.-Y.; Tian, G.; Vantomme, A.; Yu, J.; Van Tendeloo, G.; Su, B.-L. doi  openurl
  Title Chemistry of trimethyl aluminum: a spontaneous route to thermally stable 3D crystalline macroporous alumina foams with a hierarchy of pore sizes Type A1 Journal article
  Year 2010 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 22 Issue 10 Pages 3251-3258  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A simple and spontaneous one-pot self-formation procedure that is easy to scale up has been developed based on the chemistry of trimethylaluminum (TMA), leading to thermally stable macroporous crystalline alumina with a very unique and unprecedented three-dimensional (3D) hierarchical pore structure consisting of well-defined wormlike mesopores. TMA is the precursor of both product and porogene (viz, two working functions within the same molecule (2 in 1)). The materials obtained have been intensively characterized by powder X-ray diffraction (XRD), field-emission scanning electron microscopy (FESEM), high-resolution transmission electron microscopy (HRTEM), N2 adsorption−desorption, and mercury porosimetry. The open cagelike macrocavities are self-constructed by mesoporous nanorods (diameter of ca. 40−70 nm), which are themselves formed by a random assembly of fibrous nanoparticles 5−6 nm in size. Optical microscopy (OM) has been used in situ to follow the synthesis procedure, which led to the proposal of the formation mechanism. Methane molecules as porogens, which were instantaneously released because of the fast hydrolysis of the chemical precursor, were the key factor in producing these 3D structures with uniform co-continuous macropores that interconnected directly with the wormlike mesopores. The important characteristic of this procedure is the concurrent formation of a multiscaled porous network. The material exhibits great thermal stability. The hierarchically mesoporous−macroporous Al2O3 obtained is quite attractive for a myriad of applications, from catalysis to biomedicine. The present work illustrates that the one-pot self-formation concept, based on the chemistry of alkyl metals, is a versatile method to design industrially valuable hierarchically porous materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000277635000030 Publication Date 2010-04-27  
  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 38 Open Access  
  Notes Approved Most recent IF: 9.466; 2010 IF: 6.400  
  Call Number UA @ lucian @ c:irua:82760 Serial 356  
Permanent link to this record
 
 
Author Wendelen, W.; Dzhurakhalov, A.A.; Peeters, F.M.; Bogaerts, A. pdf  doi
openurl 
  Title Combined molecular dynamics: continuum study of phase transitions in bulk metals under ultrashort pulsed laser irradiation Type A1 Journal article
  Year 2010 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 114 Issue 12 Pages 5652-5660  
  Keywords A1 Journal article; Integrated Molecular Plant Physiology Research (IMPRES); Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The phase transition processes induced by ultrashort, 100 fs pulsed laser irradiation of Au, Cu, and Ni are studied by means of a combined atomistic-continuum approach. A moderately low absorbed laser fluence range, from 200 to 600 J/m2 is considered to study phase transitions by means of a local and a nonlocal order parameter. At low laser fluences, the occurrence of layer-by-layer evaporation has been observed, which suggests a direct solid to vapor transition. The calculated amount of molten material remains very limited under the conditions studied, especially for Ni. Therefore, our results show that a kinetic equation that describes a direct solid to vapor transition might be the best approach to model laser-induced phase transitions by continuum models. Furthermore, the results provide more insight into the applicability of analytical superheating theories that were implemented in continuum models and help the understanding of nonequilibrium phase transitions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000275855600044 Publication Date 2010-01-26  
  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 2 Open Access  
  Notes ; A.D. gratefully acknowledges Professor M. Hot (ULB, Brussels) for the basic MD-code that was modified further for the laser-induced melting processes. W.W, and A.D. are thankful to Professor L.V. Zhigilei for useful discussions and advices. The calculations were performed on the CALCUA computing facility of the University of Antwerp. This work was supported by the Belgian Science Policy (IAP). ; Approved Most recent IF: 4.536; 2010 IF: 4.524  
  Call Number UA @ lucian @ c:irua:81391 Serial 402  
Permanent link to this record
 
 
Author Adamson, P.; Hadermann, J.; Smura, C.F.; Rutt, O.J.; Hyett, G.; Free, D.G.; Clarke, S.J. pdf  doi
openurl 
  Title Competing magnetic structures and the evolution of copper ion/vacancy ordering with composition in the manganite oxide chalcogenides Sr2MnO2Cu1.5(S1-xSex)2 Type A1 Journal article
  Year 2012 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 24 Issue 14 Pages 2802-2816  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The series Sr2MnO2Cu1.5(S1-xSex)(2) (0 <= x <= 1) contains mixed-valent Mn ions (Mn2+/Mn3+) in MnO2 sheets which are separated by copper-deficient antifluorite-type Cu(2-delta)Ch(2) layers with delta similar to 0.5. The compounds crystallize in the structure type first described for Sr2Mn3Sb2O2 and are described in the I4/mmm space group at ambient temperatures. Below about 250 K, ordering between Cu+ ions and tetrahedral vacancies occurs which is long-range and close to complete in the sulfide-containing end member of the series Sr2MnO2Cu1.5S2 but which occurs over shorter length scales as the selenide content increases. The superstructure is an orthorhombic 2 root 2a x root 2a x c expansion in Ibam of the room temperature cell. For x > 0.3 there are no superstructure reflections evident in the X-ray or neutron diffraction patterns, and the I4/mmm description is valid for the average structure at all temperatures. However, in the pure selenide end member, Sr2MnO2Cu1.5Se2, diffuse scattering in electron diffractograms and modulation in high resolution lattice image profiles may arise from short-range Cu/vacancy order. All members of the series exhibit long-range magnetic order. In the sulfide-rich end member and in compounds with x < 0.1 in the formula Sr2MnO2Cu1.5(S1-xSex)(2), which show well developed superstructures due to long-range Cu/vacancy order, the magnetic structure has a (1/4 1/4 0) propagation vector in which ferromagnetic zigzag chains of Mn moments in the MnO2 sheets are coupled antiferromagnetically in an arrangement described as the CE-type magnetic structure and found in many mixed-valent perovskite and Ruddlesden-Popper type oxide manganites. In these cases the magnetic cell is an a x 2b x c expansion of the low temperature Ibam structural cell. For x >= 0.2 in the formula Sr2MnO2Cu1.5(S1-xSex)(2) the magnetic structure has a (0 0 0) propagation vector and is similar to the A-type structure, also commonly adopted by some perovskite-related manganites, in which the Mn moments in the MnO2 sheets are coupled ferromagnetically and long-range antiferromagnetic order results from antiferromagnetic coupling between planes. In the region of the transition between the two different structural and magnetic long-range ordering schemes (0.1 < x < 0.2) the two magnetic structures coexist in the same sample. The evolution of the competition between magnetic ordering schemes and the length scale of the structural order with composition in Sr2MnO2Cu1.5(S1-xSex)(2) suggest that the changes in magnetic and structural order are related consequences of the introduction of chemical disorder.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000306674200024 Publication Date 2012-06-20  
  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 11 Open Access  
  Notes Esteem 026019 Approved Most recent IF: 9.466; 2012 IF: 8.238  
  Call Number UA @ lucian @ c:irua:100839 Serial 435  
Permanent link to this record
 
 
Author de Oliveira, E.L.; Albuquerque, E.L.; de Sousa, J.S.; Farias, G.A.; Peeters, F.M. doi  openurl
  Title Configuration-interaction excitonic absorption in small Si/Ge and Ge/Si core/shell nanocrystals Type A1 Journal article
  Year 2012 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 116 Issue 7 Pages 4399-4407  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The excitonic properties of Si(core)/Ge(shell) and Ge(core)/Si(shell) nanocrystals (NC's) with diameters of similar to 1.9 nm are investigated using a combination density functional ab initio method to obtain the single particle wave functions and a configuration interaction method to compute the exciton fine structure and absorption coefficient. These core/shell structures exhibit type II confinement, which is more pronounced for the Si/Ge NC as a consequence of strain. The absorption coefficients of these NC's exhibit a single dominant peak, which has a much larger oscillator strength than the multipeaks found for pure Si and Ge NC's. The exciton lifetime in Si, Ge, and Ge/Si shows a small i:emperature dependence in the range 10-300 K, whereas in Si/Ge, the exciton lifetime decreases more than an order of magnitude in the same temperature range.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000301156500007 Publication Date 2012-01-04  
  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 44 Open Access  
  Notes ; The authors acknowledge financial support from CNPq and the bilateral program between Flanders and Brazil and the Belgian Science Foundation (IAP). ; Approved Most recent IF: 4.536; 2012 IF: 4.814  
  Call Number UA @ lucian @ c:irua:113045 Serial 482  
Permanent link to this record
 
 
Author Tran, M.L.; Centeno, S.P.; Hutchison, J.A.; Engelkamp, H.; Liang, D.; Van Tendeloo, G.; Sels, B.F.; Hofkens, J.; Uji-i, H. pdf  doi
openurl 
  Title Control of surface plasmon localization via self-assembly of silver nanoparticles along silver nanowires Type A1 Journal article
  Year 2008 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 130 Issue 51 Pages 17240-17241  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A simple and low-cost method to create metal−metal hybrid nanostructures possessing fairly regularly spaced hot-spots of surface plasmon resonances is proposed. The nanohybrid structure was prepared via self-assembly during a simple drop-casting procedure, using chemically synthesized silver nanowires and silver nanoparticles prepared in a single batch of a polyol process. Wide field illumination of these nanohybrids produced hot-spots with spacings of around 500 nm to 1 ìm. The intensity of the emission/scattering from the hot-spots fluctuates over time. The proposed structure can be useful for the development of molecular-sensors or as a substrate for surface enhanced Raman/fluorescence spectroscopy.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000263320600018 Publication Date 2008-12-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 51 Open Access  
  Notes Fwo – G.0366.06; Fwo – Iap-Vi/27 Approved Most recent IF: 13.858; 2008 IF: 8.091  
  Call Number UA @ lucian @ c:irua:75946 Serial 498  
Permanent link to this record
 
 
Author Wee, L.H.; Wiktor, C.; Turner, S.; Vanderlinden, W.; Janssens, N.; Bajpe, S.R.; Houthoofd, K.; Van Tendeloo, G.; De Feyter, S.; Kirschhock, C.E.A.; Martens, J.A.; pdf  doi
openurl 
  Title Copper benzene tricarboxylate metal-organic framework with wide permanent mesopores stabilized by keggin polyoxometallate ions Type A1 Journal article
  Year 2012 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 134 Issue 26 Pages 10911-10919  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Porous solids with organized multiple porosity are of scientific and technological importance for broadening the application range from traditional areas of catalysis and adsorption/separation to drug release and biomedical imaging. Synthesis of crystalline porous materials offering a network of uniform micro- and mesopores remains a major scientific challenge. One strategy is based on variation of synthesis parameters of microporous networks, such as, for example, zeolites or metal organic frameworks (MOFs). Here, we show the rational development of an hierarchical variant of the microporous cubic Cu-3(BTC)(2) (BTC = 1,3,5-benzenetricarboxylate) HKUST-1 MOF having strictly repetitive S inn wide mesopores separated by uniform microporous walls in a single crystal structure. This new material coined COK-15 (COK = Centrum voor Oppervlaktechemie en Katalyse) was synthesized via a dual-templating approach. Stability was enhanced by Keggin type phosphotungstate (HPW) systematically occluded in the cavities constituting the walls between the mesopores.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000305863900037 Publication Date 2012-06-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 83 Open Access  
  Notes Iap; Fwo Approved Most recent IF: 13.858; 2012 IF: 10.677  
  Call Number UA @ lucian @ c:irua:100330 Serial 514  
Permanent link to this record
 
 
Author Hadermann, J.; Abakumov, A.M.; Gillie, L.J.; Martin, C.; Hervieu, M. pdf  doi
openurl 
  Title Coupled cation and charge ordering in the CaMn306 tunnel structure Type A1 Journal article
  Year 2006 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 18 Issue 23 Pages 5530-5536  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000241808600021 Publication Date 2006-10-15  
  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 33 Open Access  
  Notes Iap V-1 Approved Most recent IF: 9.466; 2006 IF: 5.104  
  Call Number UA @ lucian @ c:irua:61374 Serial 534  
Permanent link to this record
 
 
Author Bune, R.O.; Lobanov, M.V.; Popov, G.; Greenblatt, M.; Botez, C.E.; Stephens, P.W.; Croft, M.; Hadermann, J.; Van Tendeloo, G. doi  openurl
  Title Crystal structure and properties of Ru-stoichiometric LaSrMnRuO6 Type A1 Journal article
  Year 2006 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 18 Issue 10 Pages 2611-2617  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000237593400022 Publication Date 2006-05-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.466 Times cited 17 Open Access  
  Notes Approved Most recent IF: 9.466; 2006 IF: 5.104  
  Call Number UA @ lucian @ c:irua:59441 Serial 563  
Permanent link to this record
 
 
Author Hadermann, J.; Abakumov, A.; Van Rompaey, S.; Perkisas, T.; Filinchuk, Y.; Van Tendeloo, G. doi  openurl
  Title Crystal structure of a lightweight borohydride from submicrometer crystallites by precession electron diffraction Type A1 Journal article
  Year 2012 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 24 Issue 17 Pages 3401-3405  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We demonstrate that precession electron diffraction at low-dose conditions can be successfully applied for structure analysis of extremely electron-beam-sensitive materials. Using LiBH4 as a test material, complete structural information, including the location of the H atoms, was obtained from submicrometer-sized crystallites. This demonstrates for the first time that, where conventional transmission electron microscopy techniques fail, quantitative precession electron diffraction can provide structural information from submicrometer particles of such extremely electron-beam-sensitive materials as complex lightweight hydrides. We expect the precession electron diffraction technique to be a useful tool for nanoscale investigations of thermally unstable lightweight hydrogen-storage materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000308833400012 Publication Date 2012-08-01  
  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 17 Open Access  
  Notes Approved Most recent IF: 9.466; 2012 IF: 8.238  
  Call Number UA @ lucian @ c:irua:101845 Serial 567  
Permanent link to this record
 
 
Author Luhrs, C.C.; Molins, E.; Van Tendeloo, G.; Beltran-Porter, D.; Fuertes, A. doi  openurl
  Title Crystal structure of Bi6Sr8-xCa3+xO22(-0.5\leq x\leq1.7): a mixed valence bismuth oxide related to perovskite Type A1 Journal article
  Year 1998 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 10 Issue 7 Pages 1875-1881  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The crystal structure of BiSr8-xCa3+xO22 has been determined by single-crystal X-ray diffraction. This phase is the same as Bi9Sr11Ca5Oy that was previously studied by several authors as a secondary phase in the Bi-Sr-Ca-Cu-O system and coexists in thermodynamic equilibrium with the superconductors Bi2Sr2CuO6 and Bi2Sr2CaCu2O8 It crystallizes in the monoclinic space group P2(1)/c, with cell parameters a 11.037(3) Angstrom, b = 5.971(2) Angstrom, c = 19.703(7) Angstrom, beta = 101.46(3)degrees Z = 2. The structure was solved by direct methods and full-matrix least-squares refinement. It is built up by perovskite-related blocks of composition [Sr8-xBi2Ca3+xO16] that intergrow with double rows [Bi4O6] running along b. The perovskite blocks are formed by groups of five octahedra that are shifted from each other 3/2 root 2a(p) along [110](p) (a(p) being the parameter of the cubic perovskite subcell) in a zigzag configuration and are aligned with this direction parallel to the one forming an angle of 25" with the c axis. In turn, the perovskite blocks [Sr8-xBi2Ca3+xO16] are shifted from each other 1/2 of both a(p) and root 2a(p) along [100](p) and [110](p), respectively. In the double rows, two trivalent bismuth atoms are placed, forming dimeric anion complexes [Bi2O6].(6-).6- The oxygen atoms around bismuth in these dimers are placed in the vertexes of a distorted trigonal bipyramid, with one vacant position that would be occupied by the lone pairs characteristic for the electronic configuration of Bi(III). The B sites in the perovskite blocks are occupied by pentavalent bismuth atoms and calcium atoms; the remaining Sr and Ca ions occupy the A sites of the perovskite blocks with coordination numbers with oxygen ranging from 10 to 12. The mean valence for Bi is +3.67 [33.3% of Bi(V) and 66.7% of Bi(III)]. The oxygen vacancies are located in the boundaries between domains having the two possible configurations of the perovskite subcell as in the anionic superconductor Bi3BaO5.5. The oxidation of Bi6Sr8-xCa3+xO22 at 650 degrees C allows the complete filling of the oxygen vacancies to form the double perovskite (Sr2-xCax)Bi1.4Ca0.6O6 that shows 92.5% of bismuth in +5 oxidation state. The experimental high-resolution electon microscopy image and the electron diffraction pattern of powder samples along the [010]* zone axis are in good agreement with those calculated from the structural model obtained by single-crystal X-ray diffraction. The material is almost free of defects and the occurrence of planar defects is very exceptional.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000075019300023 Publication Date 2002-07-26  
  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 6 Open Access  
  Notes Approved Most recent IF: 9.466; 1998 IF: 3.359  
  Call Number UA @ lucian @ c:irua:104328 Serial 570  
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Author Panin, R.V.; Shpanchenko, R.V.; Mironov, A.V.; Velikodny, Y.A.; Antipov, E.V.; Hadermann, J.; Tarnopolsky, V.A.; Yaroslavtsev, A.B.; Kaul, E.E.; Geibel, C. pdf  doi
openurl 
  Title Crystal structure, polymorphism, and properties of the new vanadyl phosphate Na4VO(PO4)2 Type A1 Journal article
  Year 2004 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 16 Issue Pages 1048-1055  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000220304100014 Publication Date 2004-03-16  
  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 11 Open Access  
  Notes Approved Most recent IF: 9.466; 2004 IF: 4.103  
  Call Number UA @ lucian @ c:irua:43873 Serial 577  
Permanent link to this record
 
 
Author Monico, L.; Janssens, K.; Miliani, C.; Brunetti, B.G.; Vagnini, M.; Vanmeert, F.; Falkenberg, G.; Abakumov, A.; Lu, Y.; Tian, H.; Verbeeck, J.; Radepont, M.; Cotte, M.; Hendriks, E.; Geldof, M.; van der Loeff, L.; Salvant, J.; Menu, M.; pdf  doi
openurl 
  Title Degradation process of lead chromate in paintings by Vincent van Gogh studied by means of spectromicroscopic methods : 3 : synthesis, characterization, and detection of different crystal forms of the chrome yellow pigment Type A1 Journal article
  Year 2013 Publication Analytical chemistry Abbreviated Journal Anal Chem  
  Volume 85 Issue 2 Pages 860-867  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The painter, Vincent van Gogh, and some of his contemporaries frequently made use of the pigment chrome yellow that is known to show a tendency toward darkening. This pigment may correspond to various chemical compounds such as PbCrO4 and PbCr1-xSxO4, that may each be present in various crystallographic forms with different tendencies toward degradation. Investigations by X-ray diffraction (XRD), mid-Fourier Transform infrared (FTIR), and Raman instruments (benchtop and portable) and synchrotron radiation-based micro-XRD and X-ray absorption near edge structure spectroscopy performed on oil-paint models, prepared with in-house synthesized PbCrO4 and PbCr1-xSxO4, permitted us to characterize the spectroscopic features of the various forms. On the basis of these results, an extended study has been carried out on historic paint tubes and on embedded paint microsamples taken from yellow-orange/pale yellow areas of 12 Van Gogh paintings, demonstrating that Van Gogh effectively made use of different chrome yellow types. This conclusion was also confirmed by in situ mid-FTIR investigations on Van Goghs Portrait of Gauguin (Van Gogh Museum, Amsterdam).  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000313668400031 Publication Date 2012-10-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700;1520-6882; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited 79 Open Access  
  Notes Goa; Fwo Approved Most recent IF: 6.32; 2013 IF: 5.825  
  Call Number UA @ lucian @ c:irua:108707UA @ admin @ c:irua:108707 Serial 631  
Permanent link to this record
 
 
Author Monico, L.; van der Snickt, G.; Janssens, K.; de Nolf, W.; Miliani, C.; Verbeeck, J.; Tian, H.; Tan, H.; Dik, J.; Radepont, M.; Cotte, M. pdf  doi
openurl 
  Title Degradation process of lead chromate in paintings by Vincent van Gogh studied by means of synchrotron X-ray spectromicroscopy and related methods : 1 : artificially aged model samples Type A1 Journal article
  Year 2011 Publication Analytical chemistry Abbreviated Journal Anal Chem  
  Volume 83 Issue 4 Pages 1214-1223  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract On several paintings by artists of the end of the 19th century and the beginning of the 20th Century a darkening of the original yellow areas, painted with the chrome yellow pigment (PbCrO4, PbCrO4·xPbSO4, or PbCrO4·xPbO) is observed. The most famous of these are the various Sunflowers paintings Vincent van Gogh made during his career. In the first part of this work, we attempt to elucidate the degradation process of chrome yellow by studying artificially aged model samples. In view of the very thin (1−3 μm) alteration layers that are formed, high lateral resolution spectroscopic methods such as microscopic X-ray absorption near edge (μ-XANES), X-ray fluorescence spectrometry (μ-XRF), and electron energy loss spectrometry (EELS) were employed. Some of these use synchrotron radiation (SR). Additionally, microscopic SR X-ray diffraction (SR μ-XRD), μ-Raman, and mid-FTIR spectroscopy were employed to completely characterize the samples. The formation of Cr(III) compounds at the surface of the chrome yellow paint layers is particularly observed in one aged model sample taken from a historic paint tube (ca. 1914). About two-thirds of the chromium that is present at the surface has reduced from the hexavalent to the trivalent state. The EELS and μ-XANES spectra are consistent with the presence of Cr2O3·2H2O (viridian). Moreover, as demonstrated by μ-XANES, the presence of another Cr(III) compound, such as either Cr2(SO4)3·H2O or (CH3CO2)7Cr3(OH)2 [chromium(III) acetate hydroxide], is likely.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Washington, D.C. Editor  
  Language Wos 000287176900011 Publication Date 2011-02-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700;1520-6882; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited 113 Open Access  
  Notes Iuap; Fwo Approved Most recent IF: 6.32; 2011 IF: 5.856  
  Call Number UA @ lucian @ c:irua:88794UA @ admin @ c:irua:88794 Serial 632  
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