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Author Panin, R.V.; Khasanova, N.R.; Abakumov, A.M.; Antipov, E.V.; Van Tendeloo, G.; Schnelle, W. doi  openurl
  Title Synthesis and crystal structure of the palladium oxides NaPd3O4, Na2PdO3 and K3Pd2O4 Type A1 Journal article
  Year 2007 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem  
  Volume 180 Issue 5 Pages (down) 1566-1574  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000246892800007 Publication Date 2007-03-13  
  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 24 Open Access  
  Notes Approved Most recent IF: 2.299; 2007 IF: 2.149  
  Call Number UA @ lucian @ c:irua:64740 Serial 3429  
Permanent link to this record
 
 
Author Ayalew, E.; Janssens, K.; De Wael, K. url  doi
openurl 
  Title Unraveling the reactivity of minium towards bicarbonate and the role of lead oxides therein Type A1 Journal article
  Year 2016 Publication Analytical chemistry Abbreviated Journal Anal Chem  
  Volume 88 Issue 3 Pages (down) 1564-1569  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Understanding the reactivity of (semiconductor) pigments provides vital information on how to improve conservation strategies for works of art in order to avoid rapid degradation of the pigments. This study focuses on the photoactivity of minium (Pb3O4), a semiconductor pigment, that gives rise to strong discoloration phenomena upon exposure to various environmental conditions. To demonstrate its photoactivity, an electrochemical setup with minium-modified graphite electrode (C|Pb3O4) was used. It is confirmed that minium is a p-type semiconductor which is photoactive during illumination and becomes inactive in the dark. Raman measurements confirm the formation of the degradation products. The photoactivity of a semiconductor pigment is partly defined by the presence of lead oxide (PbO) impurities; these introduce new states in the original band gap. It will be experi-mentally evidenced that the presence of PbO particles in minium leads to an upward shift of the valence band that reduces the band gap. Thus, upon photoexcitation, the electron/hole separation is more easily initialized. The PbO/Pb3O4 composite electrodes demonstrate a higher reductive photocurrent compared to the photocurrent registered at pure PbO or Pb3O4 modified electrodes. Upon exposure to light with energy close to and above the band gap, electrons are excited from the valence band to the conduction band to initialize the reduction of Pb(IV) to Pb(II), resulting in the initial formation of PbO. However in the presence of bicarbonate ions, a significantly higher photoreduction current is recorded since the PbO reacts further to form hydrocerussite. Therefore the presence of bicarbonates in the environment stimulates the photodecomposition process of minium and plays an important role in the degradation process.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000369471100014 Publication Date 2015-12-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited 9 Open Access  
  Notes ; The authors acknowledge Sanne Aerts from the Laboratory of Adsorption and Catalysis (LADCA) of the University of Antwerp for her help with the UV-vis-DR. Financial support from the SOLARPAINT BOF-GOA project (University of Antwerp Research Council) is acknowledged. The authors are also indebted to F. Vanmeert for performing the XRD measurements. ; Approved Most recent IF: 6.32  
  Call Number UA @ admin @ c:irua:129963 Serial 5888  
Permanent link to this record
 
 
Author Ata, I.; Ben Dkhil, S.; Pfannmoeller, M.; Bals, S.; Duche, D.; Simon, J.-J.; Koganezawa, T.; Yoshimoto, N.; Videlot-Ackermann, C.; Margeat, O.; Ackermann, J.; Baeuerle, P. url  doi
openurl 
  Title The influence of branched alkyl side chains in A-D-A oligothiophenes on the photovoltaic performance and morphology of solution-processed bulk-heterojunction solar cells Type A1 Journal article
  Year 2017 Publication Organic chemistry frontiers : an international journal of organic chemistry Abbreviated Journal Org Chem Front  
  Volume 4 Issue 4 Pages (down) 1561-1573  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Besides providing sufficient solubility, branched alkyl chains also affect the film-forming and packing properties of organic semiconductors. In order to avoid steric hindrance as it is present in wide-spread alkyl chains comprising a branching point position at the C2-position, i.e., 2-ethylhexyl, the branching point can be moved away from the pi-conjugated backbone. In this report, we study the influence of the modification of the branching point position from the C2-position in 2-hexyldecylamine (1) to the C4-position in 4-hexyldecylamine (2) connected to the central dithieno[3,2-b: 2', 3'-d] pyrrole (DTP) moiety in a well-studied A-D-A oligothiophene on the optoelectronic properties and photovoltaic performance in solution- processed bulk heterojunction solar cells (BHJSCs) with [6,6]-phenyl-C71-butyric acid methyl ester (PC71BM) as the acceptor material. Post-treatment of the photoactive layers is performed via solvent vapor annealing (SVA) in order to improve the film microstructure of the bulk heterojunction. The time evolution of nanoscale morphological changes is followed by combining scanning transmission electron microscopy with low-energy-loss spectroscopic imaging (STEM-SI), solid-state absorption spectroscopy, and two-dimensional grazing incidence X-ray diffraction (2D-GIXRD). Our results show an improvement of the photovoltaic performance that is dependent on the branching point position in the donor oligomer. Optical spacers are utilized to increase light absorption inside the co-oligomer 2-based BHJSCs leading to increased power conversion efficiencies (PCEs) of 8.2% when compared to the corresponding co-oligomer 1-based devices. A STEM-SI analysis of the respective device cross-sections of active layers containing 1 and 2 as donor materials indeed reveals significant differences in their respective active layer morphologies.  
  Address  
  Corporate Author Thesis  
  Publisher RSC Publishing Place of Publication London Editor  
  Language Wos 000406374800013 Publication Date 2017-05-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2052-4129 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.955 Times cited 24 Open Access OpenAccess  
  Notes ; We acknowledge financial support by the European Commission under the project “SUNFLOWER” (FP7-ICT-2011-7, grant number: 287594) and S.B. acknowledges the ERC Starting Grant Colouratoms (335078). ; Approved Most recent IF: 4.955  
  Call Number UA @ lucian @ c:irua:145176UA @ admin @ c:irua:145176 Serial 4727  
Permanent link to this record
 
 
Author Ro, C.-U.; Osán, J.; Van Grieken, R. doi  openurl
  Title Determination of low-Z elements in individual environmental particles using windowless EPMA Type A1 Journal article
  Year 1999 Publication Analytical chemistry Abbreviated Journal  
  Volume 71 Issue 8 Pages (down) 1521-1528  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000079756900007 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:23185 Serial 7782  
Permanent link to this record
 
 
Author Niu, H.; Pitcher, M.J.; Corkett, A.J.; Ling, S.; Mandal, P.; Zanella, M.; Dawson, K.; Stamenov, P.; Batuk, D.; Abakumov, A.M.; Bull, C.L.; Smith, R.I.; Murray, C.A.; Day, S.J.; Slater, B.; Cora, F.; Claridge, J.B.; Rosseinsky, M.J. url  doi
openurl 
  Title Room Temperature Magnetically Ordered Polar Corundum GaFeO3 Displaying Magnetoelectric Coupling Type A1 Journal article
  Year 2017 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 139 Issue 4 Pages (down) 1520-1531  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The polar corundum structure type offers a route to new room temperature multiferroic materials, as the partial LiNbO3-type cation ordering that breaks inversion symmetry may be combined with long-range magnetic ordering of high spin d(5) cations above room temperature in the AFeO(3) system. We report the synthesis of a polar corundum GaFeO3 by a high-pressure, high-temperature route and demonstrate that its polarity arises from partial LiNbO3 -type cation ordering by complementary use of neutron, X-ray, and electron diffraction methods. In situ neutron diffraction shows that the polar corundum forms directly from AlFeO3-type GaFeO3 under the synthesis conditions. The A(3+)/Fe3+ cations are shown to be more ordered in polar corundum GaFeO3 than in isostructural ScFeO3. This is explained by DFT calculations which indicate that the extent of ordering is dependent on the configurational entropy available to each system at the very different synthesis temperatures required to form their corundum structures. Polar corundum GaFeO3 exhibits weak ferromagnetism at room temperature that arises from its Fe2O3-like magnetic ordering, which persists to a temperature of 408 K. We demonstrate that the polarity and magnetization are coupled in this system with a measured linear magnetoelectric coupling coefficient of 0.057 ps/m. Such coupling is a prerequisite for potential applications of polar corundum materials in multiferroic/magnetoelectric devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000393355600034 Publication Date 2016-12-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0002-7863 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 12 Open Access OpenAccess  
  Notes This work was funded by the EPSRC under EP/N004884. We thank the STFC for provision of beam time at ISIS and Diamond Light Source. We thank the Materials Chemistry Consortium (EPSRC, EP/L000202) for access to computer time on the ARCHER UK National Supercomputing Service (http://www.archer.ac.uk). A.M.A. is grateful to the Russian Science Foundation (Grant 14-13-00680) for financial support. MJ.R is a Royal Society Research Professor. We wish to thank Dr. Ming Li (University of Nottingham, UK) for helpful discussion and advice. Original data is available at the University of Liverpool's DataCat repository at DOI: 10.17638/datacat.liverpool.ac.uk/235. The supporting crystallographic information file may also be obtained from FIZ Karlsruhe, 76344 Eggenstein-Leopoldshafen, Germany (e-mail: crysdata@fiz-karlsruhe.de), on quoting the deposition number CSD-432419. Approved Most recent IF: 13.858  
  Call Number EMAT @ emat @c:irua:147507 Serial 4777  
Permanent link to this record
 
 
Author Salzmann, B.B.V.; Wit, J. de; Li, C.; Arenas-Esteban, D.; Bals, S.; Meijerink, A.; Vanmaekelbergh, D. url  doi
openurl 
  Title Two-Dimensional CdSe-PbSe Heterostructures and PbSe Nanoplatelets: Formation, Atomic Structure, and Optical Properties Type A1 Journal article
  Year 2022 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 126 Issue 3 Pages (down) 1513-1522  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000744909200001 Publication Date 2022-01-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.7 Times cited 12 Open Access OpenAccess  
  Notes H. Meeldijk is kindly acknowledged for helping with electron microscopy at Utrecht University. T. Prins is kindly acknowledged for useful discussions. B.B.V.S. and D.V. acknowledge the Dutch NWO for financial support via the TOP-ECHO Grant No. 715.016.002. D.V. acknowledges financial support from the European ERC Council, ERC Advanced Grant 692691 “First Step”. J.W. and A.M. acknowledge financial support from the project CHEMIE.PGT.2019.004 of TKI/ Topsector Chemie, which is partly financed by the Dutch NWO. S.B, C.L., and D.A.E. acknowledge financial support from the European ERC Council, ERC Consolidator Grant realnano No. 815128. This project has received funding from the European Union’s Horizon 2020 research and innovation program under Grant No. 731019 (EUSMI). sygmaSB Approved Most recent IF: 3.7  
  Call Number EMAT @ emat @c:irua:185454 Serial 6953  
Permanent link to this record
 
 
Author Mao, D.; Lookman, R.; van de Weghe, H.; Weltens, R.; Vanermen, G.; Brucker, N.; Diels, L. doi  openurl
  Title Estimation of ecotoxicity of petroleum hydrocarbon mixtures in soil based on HPLC-GCXGC analysis Type A1 Journal article
  Year 2009 Publication Chemosphere Abbreviated Journal  
  Volume 77 Issue 11 Pages (down) 1508-1513  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Detailed HPLCGCXGC/FID (high performance liquid chromatography followed by comprehensive two-dimensional gas chromatography with flame-ionization detection) analysis of oil-contaminated soils was performed to interpret results of selected acute ecotoxicity assays. For the five ecotoxicity assays tested, plant seed germination and Microtox® were selected as most sensitive for evaluating ecotoxicity of the oil in the soil phase and in the leaching water, respectively. The measured toxicity for cress when testing the soil samples did not correspond to TPH concentration in the soil. A detailed chemical composition analysis of the oil contamination using HPLCGCXGC/FID allows to better predict the ecotoxicological risk and leaching potential of petroleum hydrocarbons in soil. Cress biomass production per plant was well correlated to the total aromatic hydrocarbon concentration (R2 = 0.79, n = 6), while cress seed germination was correlated (R2 = 0.82, n = 6) with total concentration of highly water-soluble aromatic hydrocarbons (HSaromatics). The observed ecotoxicity of the leaching water for Microtox-bacteria related well to calculated (based on the HPLCGCXGC/FID results) petroleum hydrocarbon equilibrium concentrations in water.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000272598700008 Publication Date 2009-10-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0045-6535; 1879-1298 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:80310 Serial 7935  
Permanent link to this record
 
 
Author Ovsyannikov, S.V.; Abakumov, A.M.; Tsirlin, A.A.; Schnelle, W.; Egoavil, R.; Verbeeck, J.; Van Tendeloo, G.; Glazyrin, K.V.; Hanfland, M.; Dubrovinsky, L. pdf  doi
openurl 
  Title Perovskite-like Mn2O3 : a path to new manganites Type A1 Journal article
  Year 2013 Publication Angewandte Chemie Abbreviated Journal Angew Chem Int Edit  
  Volume 52 Issue 5 Pages (down) 1494-1498  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Korund-artiges ε-Mn2O3 und Perowskit-artiges ζ-Mn2O3, zwei neue Phasen von Mn2O3, wurden unter hohen Drücken bei hohen Temperaturen synthetisiert. Die Manganatome können vollständig die A- und B-Positionen der Perowskitstruktur besetzen. ζ-Mn2O3 (siehe Bild, A-Positionsordnung) enthält Mn in den drei Oxidationsstufen +II, +III und +IV.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000313913300027 Publication Date 2012-12-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1433-7851; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 11.994 Times cited 84 Open Access  
  Notes This work was supported by the DFG (project OV-110/1-1), Alexander von Humboldt foundation, European Union Council (FP7)-Grant no. 246102 IFOX, European Research Council (FP7)-ERC Starting Grant no. 278510 VORTEX and ERC Grant no. 246791-COUNTATOMS, and Hercules fund from the Flemish Government. ECASJO_; Approved Most recent IF: 11.994; 2013 IF: 11.336  
  Call Number UA @ lucian @ c:irua:108765UA @ admin @ c:irua:108765 Serial 2573  
Permanent link to this record
 
 
Author Dixon, E.; Hadermann, J.; Hayward, M.A. pdf  doi
openurl 
  Title Structures and magnetism of La1-xSrxMnO3-(0.5+x)/2 (0.67\leq x\leq1) phases Type A1 Journal article
  Year 2012 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 24 Issue 8 Pages (down) 1486-1495  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Topotactic reduction of La1-xSrxMnO3 (0.67 <= x <= 1) phases with sodium hydride yields a series of isoelectronic materials of composition La1-xSrxMnO3-(0.5+x)/2. Lanthanum rich members of the series (0.67 <= x <= 0.83) adopt anion deficient perovskite structures with a 6-layer -OTOOT'O- stacking sequence of sheets of octahedra/square-based pyramids (O) and sheets of tetrahedra (T). The strontium rich members of the series (0.83 <= x <= 1) incorporate “step defects” into this 6-layer structure in which the OTOOT'O stacking sequence is converted into either OOTOOT' or TOOT'OO at a defect plane which runs perpendicular to the [201] lattice plane. The step defects appear to provide a mechanism to relieve lattice strain and accommodate additional anion deficiency in phases with x > 0.83. Magnetization and neutron diffraction data indicate La1-xSrxMnO3-(0.5+x)/2 phases adopt antiferromagnetically ordered states at low-temperature in which the ordered arrangement of magnetic spins is incommensurate with the crystallographic lattice.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000303092300011 Publication Date 2012-03-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.466 Times cited 13 Open Access  
  Notes Esteem 026019 Approved Most recent IF: 9.466; 2012 IF: 8.238  
  Call Number UA @ lucian @ c:irua:98253 Serial 3318  
Permanent link to this record
 
 
Author Smits, J.A.; Van Grieken, R.E. doi  openurl
  Title Characterization of a 2,2'-diaminodiethylamine-cellulose filter toward metal cation extraction Type A1 Journal article
  Year 1980 Publication Analytical chemistry Abbreviated Journal  
  Volume 52 Issue 9 Pages (down) 1479-1489  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos A1980KB79500027 Publication Date 2005-03-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:116515 Serial 7610  
Permanent link to this record
 
 
Author Jorgensen, M.; Shea, P.T.; Tomich, A.W.; Varley, J.B.; Bercx, M.; Lovera, S.; Cerny, R.; Zhou, W.; Udovic, T.J.; Lavallo, V.; Jensen, T.R.; Wood, B.C.; Stavila, V. url  doi
openurl 
  Title Understanding superionic conductivity in lithium and sodium salts of weakly coordinating closo-hexahalocarbaborate anions Type A1 Journal article
  Year 2020 Publication Chemistry of materials Abbreviated Journal  
  Volume 32 Issue 4 Pages (down) 1475-1487  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Solid-state ion conductors based on closo-polyborate anions combine high ionic conductivity with a rich array of tunable properties. Cation mobility in these systems is intimately related to the strength of the interaction with the neighboring anionic network and the energy for reorganizing the coordination polyhedra. Here, we explore such factors in solid electrolytes with two anions of the weakest coordinating ability, [HCB11H5Cl6](-) and [HCB11H5Br6](-), and a total of 11 polymorphs are identified for their lithium and sodium salts. Our approach combines ab initio molecular dynamics, synchrotron X-ray powder diffraction, differential scanning calorimetry, and AC impedance measurements to investigate their structures, phase-transition behavior, anion orientational mobilities, and ionic conductivities. We find that M(HCB11H5X6) (M = Li, Na, X = Cl, Br) compounds exhibit order-disorder polymorphic transitions between 203 and 305 degrees C and display Li and Na superionic conductivity in the disordered state. Through detailed analysis, we illustrate how cation disordering in these compounds originates from a competitive interplay among the lattice symmetry, the anion reorientational mobility, the geometric and electronic asymmetry of the anion, and the polarizability of the halogen atoms. These factors are compared to other closo-polyborate-based ion conductors to suggest guidelines for optimizing the cation-anion interaction for fast ion mobility. This study expands the known solid-state poly(carba)borate-based materials capable of liquid-like ionic conductivities, unravels the mechanisms responsible for fast ion transport, and provides insights into the development of practical superionic solid electrolytes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000517351300014 Publication Date 2020-01-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 5 Open Access OpenAccess  
  Notes ; The authors gratefully acknowledge support from the Hydrogen Materials-Advanced Research Consortium (HyMARC), established as part of the Energy Materials Network under the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Fuel Cell Technologies Office, under Contract no. AC04-94AL85000. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy's National Nuclear Security Administration under Contract no. DE-NA-0003525. A portion of this work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract no. ACS2-07NA27344. We also gratefully thank Kyoung Kweon for useful discussions. The views and opinions of the authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. Neither the United States Government nor any agency thereof nor any of their employees, makes any warranty, expressed or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. The Danish council for independent research, technology and production, HyNanoBorN (4181-00462) and SOS-MagBat (9041-00226B) and NordForsk, The Nordic Neutron Science Program, project FunHy (81942), and the Carlsberg Foundation are acknowledged for funding. Affiliation with the Center for Integrated Materials Research (iMAT) at Aarhus University is gratefully acknowledged. V.L. acknowledges the NSF for partial support of this project (DMR-1508537). The authors would like to thank the Swiss-Norwegian beamlines (BM01) at the ESRF, Grenoble, for the help with the data collection, DESY for access to Petra III, at beamline P02.1, and Diamond for access to beamline I11. ; Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:167754 Serial 6645  
Permanent link to this record
 
 
Author Radaelli, P.G.; Marezio, M.; Tholence, J.L.; de Brion, S.; Santoro, A.; Huang, Q.; Capponi, J.J.; Chaillout, C.; Krekels, T.; Van Tendeloo, G. openurl 
  Title Crystal structure of the double Hg-layer copper oxide superconductor (Hg, Pr)2Ba2(Y, Ca)Cu2O8-\delta as a function of doping Type A1 Journal article
  Year 1995 Publication The journal of physics and chemistry of solids Abbreviated Journal J Phys Chem Solids  
  Volume 56 Issue 10 Pages (down) 1471-1478  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos A1995RR95600025 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3697 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.853 Times cited 16 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:13323 Serial 573  
Permanent link to this record
 
 
Author Radaelli, P.G.; Marezio, M.; Tholence, J.L.; Debrion, S.; Santoro, A.; Huang, Q.; Capponi, J.J.; Chaillout, C.; Krekels, T.; Van Tendeloo, G. pdf  doi
openurl 
  Title Crystal-structure of the double-hg-layer copper-oxide superconductor (Hg,Pr)2Ba2(Y,Ca)Cu2O8-\deltaas a function of doping Type A1 Journal article
  Year 1995 Publication The journal of physics and chemistry of solids Abbreviated Journal J Phys Chem Solids  
  Volume 56 Issue 10 Pages (down) 1471-1478  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The crystal structure of the newly discovered double-Hg-layer copper oxide superconductor (Hg, Pr)(2)Ba-2(Y, Ca)Cu2O8-delta was studied as a function of chemical doping using neutron and electron diffraction and high-resolution transmission electron microscopy (HREM). Rietveld refinements of the structural parameters from neutron powder diffraction data indicate that the oxygen site O3 on the mercury plane is highly defective, being both partially occupied and displaced from the high-symmetry position. The variable concentration of oxygen vacancies partially compensates for the cation doping and, together with the O3 displacement field, makes some of the Hg atoms acquire an unusual pyramidal coordination. HREM images confirm that the structure is of the '2212' type, with very few defects. In some grains, faint superstructure reflections were evidenced by electron diffraction, suggesting that both the oxygen vacancies and the O3 displacement field may order at least on a local scale.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos A1995RR95600025 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3697; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.853 Times cited 16 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:104423 Serial 574  
Permanent link to this record
 
 
Author Cabal Rodríguez, A.E.; Leyva Pernia, D.; Schalm, O.; van Espen, P.J.M. pdf  doi
openurl 
  Title Possibilities of energy-resolved X-ray radiography for the investigation of paintings Type A1 Journal article
  Year 2012 Publication Analytical and bioanalytical chemistry Abbreviated Journal  
  Volume 402 Issue 4 Pages (down) 1471-1480  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract X-ray radiographic images of paintings often show little or no contrast. In order to increase the contrast in radiographic images we measured the X-ray spectrum of a low power X-ray tube, after passing through the painting, with a high energy-resolution SDD detector. To obtain images, the detector is collimated with a 400 mu m diameter pinhole and the painting was moved through the beam in the x and y-direction using a dwell time of a few seconds per pixel. The data obtained consists of a data cube of, typically, 200 x 200 pixels and a 512-channel X-ray spectrum for each pixel, spanning the energy range from 0 to 40 keV. Having the absorbance spectrum available for each pixel, we are able, a posteriori, to produce images by edge subtraction for any given element. In this way high contrast, element-specific, images can be obtained. Because of the high energy-resolution a much simpler edge subtraction algorithm can be applied. We also used principal-component imaging to obtain, in a more automated way, images with high contrast. Some of these images can easily be attributed to specific elements. It turns out that preprocessing of the spectral data is crucial for the success of the multivariate image processing.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000299842000008 Publication Date 2011-07-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1618-2642; 1618-2650 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:96200 Serial 8394  
Permanent link to this record
 
 
Author Liu, J.; Wang, C.; Yu, W.; Zhao, H.; Hu, Z.-Y.; Liu, F.; Hasan, T.; Li, Y.; Van Tendeloo, G.; Li, C.; Su, B.-L. url  doi
openurl 
  Title Bioinspired noncyclic transfer pathway electron donors for unprecedented hydrogen production Type A1 Journal article
  Year 2023 Publication CCS chemistry Abbreviated Journal  
  Volume 5 Issue 6 Pages (down) 1470-1482  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Electron donors are widely exploited in visible-light photocatalytic hydrogen production. As a typical electron donor pair and often the first choice for hydrogen production, the sodium sulfide-sodium sulfite pair has been extensively used. However, the resultant thiosulfate ions consume the photogenerated electrons to form an undesirable pseudocyclic electron transfer pathway during the photocatalytic process, strongly limiting the solar energy conversion efficiency. Here, we report novel and bioinspired electron donor pairs offering a noncyclic electron transfer pathway that provides more electrons without the consumption of the photogenerated electrons. Compared to the state-of-the-art electron donor pair Na2S-Na2SO3, these novel Na2S-NaH2PO2 and Na2S-NaNO2 electron donor pairs enable an unprecedented enhancement of up to 370% and 140% for average photocatalytic H-2 production over commercial CdS nanoparticles, and they are versatile for a large series of photocatalysts for visible-light water splitting. The discovery of these novel electron donor pairs can lead to a revolution in photocatalysis and is of great significance for industrial visible-light-driven H-2 production. [GRAPHICS] .  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001037091900008 Publication Date 2022-06-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:198409 Serial 8837  
Permanent link to this record
 
 
Author Ao, Z.M.; Hernández-Nieves, A.D.; Peeters, F.M.; Li, S. pdf  doi
openurl 
  Title The electric field as a novel switch for uptake/release of hydrogen for storage in nitrogen doped graphene Type A1 Journal article
  Year 2012 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys  
  Volume 14 Issue 4 Pages (down) 1463-1467  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Nitrogen-doped graphene was recently synthesized and was reported to be a catalyst for hydrogen dissociative adsorption under a perpendicular applied electric field (F). In this work, the diffusion of H atoms on N-doped graphene, in the presence and absence of an applied perpendicular electric field, is studied using density functional theory. We demonstrate that the applied field can significantly facilitate the binding of hydrogen molecules on N-doped graphene through dissociative adsorption and diffusion on the surface. By removing the applied field the absorbed H atoms can be released efficiently. Our theoretical calculation indicates that N-doped graphene is a promising hydrogen storage material with reversible hydrogen adsorption/desorption where the applied electric field can act as a switch for the uptake/release processes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000298754500018 Publication Date 2011-11-21  
  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 67 Open Access  
  Notes ; Financial support of the Vice-Chancellor's Postdoctoral Research Fellowship Program (SIR50/PS19184) and the ECR grant (SIR30/PS24201) from the University of New South Wales are acknowledged. This work is also supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; Approved Most recent IF: 4.123; 2012 IF: 3.829  
  Call Number UA @ lucian @ c:irua:96266 Serial 3578  
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Author Avigo, D.; Godoi, A.F.L.; Janissek, P.R.; Makarovska, Y.; Krata, A.; Potgieter-Vermaak, S.; Alfoldy, B.; Van Grieken, R.; Godoi, R.H.M. doi  openurl
  Title Particulate matter analysis at elementary schools in Curitiba, Brazil Type A1 Journal article
  Year 2008 Publication Analytical and bioanalytical chemistry Abbreviated Journal  
  Volume 391 Issue 4 Pages (down) 1459-1468  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000256088700043 Publication Date 2008-03-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1618-2642; 1618-2650 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:68797 Serial 8360  
Permanent link to this record
 
 
Author Jammaer, J.; Aprile, C.; Verbruggen, S.W.; Lenaerts, S.; Pescarmona, P.P.; Martens, J.A. doi  openurl
  Title A non-aqueous synthesis of TiO2SiO2 composites in supercritical CO2 for the photodegradation of pollutants Type A1 Journal article
  Year 2011 Publication Chemsuschem Abbreviated Journal Chemsuschem  
  Volume 4 Issue 10 Pages (down) 1457-1463  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Titania/silica composites with different Ti/Si ratios are synthesized via a nonconventional synthesis route. The synthesis involves non-aqueous reaction of metal alkoxides and formic acid at 75 °C in supercritical carbon dioxide. The as-prepared composite materials contain nanometer-sized anatase crystallites and amorphous silica. Large specific surface areas are obtained. The composites are evaluated in the photocatalytic degradation of phenol in aqueous medium, and in the elimination of acetaldehyde from air. The highest photocatalytic activity in both processes is achieved with a composite containing 40 wt % TiO2.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000296497400010 Publication Date 2011-05-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1864-5631 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.226 Times cited 15 Open Access  
  Notes ; The authors acknowledge sponsorship from CECAT and Methusalem (long-term financing of the Flemish government). We thank Dr. E. Gobechiya for assistance with XRD measurements and A. Lemaire for assistance with mercury porosimetry measurements. ; Approved Most recent IF: 7.226; 2011 IF: 6.827  
  Call Number UA @ admin @ c:irua:93363 Serial 5973  
Permanent link to this record
 
 
Author Hervieu, M.; Martin, C.; Maignan, A.; Van Tendeloo, G.; Jirak, Z.; Hejtmanek, J.; Barnabe, A.; Thopart, D.; Raveau, B. doi  openurl
  Title Structural and magnetotransport transitions in the electron-doped Pr1-xSrxMnO3(0.85\leq x\leq1) manganites Type A1 Journal article
  Year 2000 Publication Chemistry and materials Abbreviated Journal Chem Mater  
  Volume 12 Issue 5 Pages (down) 1456-1462  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The exploration of the Mn4+-rich side of the Pr1-xSrxMnO3 system has allowed the extension of the domain of the cubic perovskite, by using a two-step process, combining synthesis under Ar flow at high temperature and O-2 pressure annealing at lower temperature. We show that these Pr-doped cubic perovskites exhibit a coupled structural (cubic-tetragonal) and magnetic (para-antiferro) transition connected with a resistivity jump at the same temperature. The strong interplay between lattice, charges, and spins for these oxides results from the appearance at low temperature of the distorted C-type antiferromagnetic structure. The Pr1-xSrxMnO3 magnetic phase diagram shows, for 0.9 less than or equal to x less than or equal to 1 (i.e., on the Mn4+-rich side), the existence at low temperature of C- and G-type antiferromagnetism. The absence of ferromagnetic-antiferromagnetic competition explains that magnetoresistante properties are not observed in this system, in contrast to Mn4+-rich Ln(1-x)Ca(x)MnO(3) systems.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000087136800039 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 24 Open Access  
  Notes Approved Most recent IF: 9.466; 2000 IF: 3.580  
  Call Number UA @ lucian @ c:irua:103454 Serial 3198  
Permanent link to this record
 
 
Author Chen, L.-H.; Li, X.-Y.; Tian, G.; Li, Y.; Tan, H.-Y.; Van Tendeloo, G.; Zhu, G.-S.; Qiu, S.-L.; Yang, X.-Y.; Su, B.-L. pdf  doi
openurl 
  Title Multimodal zeolite-beta-based catalysts with a hierarchical, three-level pore structure Type A1 Journal article
  Year 2011 Publication Chemsuschem Abbreviated Journal Chemsuschem  
  Volume 4 Issue 10 Pages (down) 1452-1456  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Hole diggers: The hierarchically structured porous solid-acid catalyst described in this report possess a remarkable pore system, encompassing well-defined macrochannels, interconnected mesopores, intracrystalline mesopores, and tunable zeolite micropores. Importantly, the catalyst exhibits very strong acidity and superior catalytic activity for esterification reactions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000296497400009 Publication Date 2011-08-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1864-5631; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.226 Times cited 33 Open Access  
  Notes Iap Approved Most recent IF: 7.226; 2011 IF: 6.827  
  Call Number UA @ lucian @ c:irua:93675 Serial 2223  
Permanent link to this record
 
 
Author Lamoen, D.; Michel, K.H. doi  openurl
  Title Crystal field, orientational order, and lattice contraction in solid C60 Type A1 Journal article
  Year 1994 Publication The journal of chemical physics Abbreviated Journal J Chem Phys  
  Volume 101 Issue Pages (down) 1435-1443  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract A model of the intermolecular potential in solid C-60, which is based on Born-Mayer repulsions, van der Waals attractions, and electrostatic multipoles, is presented. The potential is expanded in terms of multipolar rotator functions. The orientation-orientation interaction and the crystal field are calculated. The orientational phase transition to the Pa3 phase is studied with the methods of statistical mechanics. The discontinuity of the order parameter at the transition and the temperature evolution of the order parameter are calculated. The lattice contraction at the phase transition is evaluated. The influence of the lattice contraction on the crystal field and on the orientational order is studied.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos A1994NW97900058 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9606; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.952 Times cited 39 Open Access  
  Notes Approved CHEMISTRY, PHYSICAL 54/144 Q2 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 9/35 Q2 #  
  Call Number UA @ lucian @ c:irua:9361 Serial 554  
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Author Imran, M.; Peng, L.; Pianetti, A.; Pinchetti, V.; Ramade, J.; Zito, J.; Di Stasio, F.; Buha, J.; Toso, S.; Song, J.; Infante, I.; Bals, S.; Brovelli, S.; Manna, L. url  doi
openurl 
  Title Halide perovskite-lead chalcohalide nanocrystal heterostructures Type A1 Journal article
  Year 2021 Publication Journal Of The American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 143 Issue 3 Pages (down) 1435-1446  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We report the synthesis of colloidal CsPbX3-Pb4S3Br2 (X = Cl, Br, I) nanocrystal heterostructures, providing an example of a sharp and atomically resolved epitaxial interface between a metal halide perovskite and a non-perovskite lattice. The CsPbBr3-Pb4S3Br2 nanocrystals are prepared by a two-step direct synthesis using preformed subnanometer CsPbBr3 clusters. Density functional theory calculations indicate the creation of a quasi-type II alignment at the heterointerface as well as the formation of localized trap states, promoting ultrafast separation of photogenerated excitons and carrier trapping, as confirmed by spectroscopic experiments. Postsynthesis reaction with either Cl- or I- ions delivers the corresponding CsPbCI3-Pb4S3Br2 and CsPbI3-Pb4S3Br2 heterostructures, thus enabling anion exchange only in the perovskite domain. An increased structural rigidity is conferred to the perovskite lattice when it is interfaced with the chalcohalide lattice. This is attested by the improved stability of the metastable gamma phase (or “black” phase) of CsPbI3 in the CsPbI3-Pb4S3Br2 heterostructure.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000614064400024 Publication Date 2021-01-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0002-7863 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 54 Open Access OpenAccess  
  Notes This work was performed on the Dutch national e-infrastructure with the support of SURF Cooperative. L.P. and J.S. are thankful for the support by the National Key R&D Program of China (2018YFC0910600) and the National Natural Science Foundation of China (61775145). F.D.S. and S.B. acknowledge support by the European Research Council via the ERC-StG “NANOLED” (851794) and the ERC-Cog “REALNANO” (815128). The authors acknowledge financial support from the European Commission under the Horizon 2020 Programme through Grant Agreement No. 731019 (EUSMI). S.B., A.P., and V.P. gratefully acknowledge the financial support from the Italian Ministry of University and Research (MIUR) through grant “Dipartimenti di Eccellenza2017 Materials For Energy”.; sygma Approved Most recent IF: 13.858  
  Call Number UA @ admin @ c:irua:176584 Serial 6726  
Permanent link to this record
 
 
Author Eckert, M.; Mortet, V.; Zhang, L.; Neyts, E.; Verbeeck, J.; Haenen, ken; Bogaerts, A. pdf  doi
openurl 
  Title Theoretical investigation of grain size tuning during prolonged bias-enhanced nucleation Type A1 Journal article
  Year 2011 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 23 Issue 6 Pages (down) 1414-1423  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In this paper, the effects of prolonged bias-enhanced nucleation (prolonged BEN) on the growth mechanisms of diamond are investigated by molecular dynamics (MD) and combined MD-Metropolis Monte Carlo (MD-MMC) simulations. First, cumulative impacts of CxHy+ and Hx+ on an a-C:H/nanodiamond composite were simulated; second, nonconsecutive impacts of the dominant ions were simulated in order to understand the observed phenomena in more detail. As stated in the existing literature, the growth of diamond structures during prolonged BEN is a process that takes place below the surface of the growing film. The investigation of the penetration behavior of CxHy+ and Hx+ species shows that the carbon-containing ions remain trapped within this amorphous phase where they dominate mechanisms like precipitation of sp3 carbon clusters. The H+ ions, however, penetrate into the crystalline phase at high bias voltages (>100 V), destroying the perfect diamond structure. The experimentally measured reduction of grain sizes at high bias voltage, reported in the literature, might thus be related to penetrating H+ ions. Furthermore, the CxHy+ ions are found to be the most efficient sputtering agents, preventing the build up of defective material.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000288291400011 Publication Date 2011-02-23  
  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 9 Open Access  
  Notes Iwt; Fwo; Esteem 026019; Iap Approved Most recent IF: 9.466; 2011 IF: 7.286  
  Call Number UA @ lucian @ c:irua:87642 Serial 3605  
Permanent link to this record
 
 
Author Verbruggen, S.W.; Van Hal, M.; Bosserez, T.; Rongé, J.; Hauchecorne, B.; Martens, J.A.; Lenaerts, S. pdf  url
doi  openurl
  Title Harvesting hydrogen gas from air pollutants with an un-biased gas phase photo-electrochemical cell Type A1 Journal article
  Year 2017 Publication Chemsuschem Abbreviated Journal Chemsuschem  
  Volume 10 Issue 7 Pages (down) 1413-1418  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract The concept of an all-gas-phase photo-electrochemical cell (PEC) producing hydrogen gas from volatile organic contaminated gas and light is presented. Without applying any external bias, organic contaminants are degraded and hydrogen gas is produced in separate electrode compartments. The system works most efficiently with organic pollutants in inert carrier gas. In the presence of oxygen gas, the cell performs less efficiently but still significant photocurrents are generated, showing the cell can be run on organic contaminated air. The purpose of this study is to demonstrate new application opportunities of PEC technology and to encourage further advancement toward photo-electrochemical remediation of air pollution with the attractive feature of simultaneous energy recovery and pollution abatement.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000398838600017 Publication Date 2017-02-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1864-5631 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.226 Times cited 6 Open Access  
  Notes ; S.W.V. and J.R. acknowledge the Research Foundation-Flanders (FWO) for a postdoctoral fellowship. T.B. and J.A.M. acknowledge the Flemish government for long-term structural funding (Methusalem). Nicolaas Schewyck is greatly thanked for his experimental work during his master thesis. ; Approved Most recent IF: 7.226  
  Call Number UA @ admin @ c:irua:140922 Serial 5955  
Permanent link to this record
 
 
Author Marguí, E.; van Meel, K.; Van Grieken, R.; Buendía, A.; Fontás, C.; Hidalgo, M.; Queralt, I. doi  openurl
  Title Method for the determination of Pd-catalyst residues in active pharmaceutical ingredients by means of high-energy polarized-beam energy dispersive X-ray fluorescence Type A1 Journal article
  Year 2009 Publication Analytical chemistry Abbreviated Journal  
  Volume 81 Issue 4 Pages (down) 1404-1410  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract In medicinal chemistry, Pd is perhaps the most-widely utilized precious metal, as catalyst in reactions which represent key transformations toward the synthesis of new active pharmaceutical ingredients (APIs). The disadvantage of this metal-catalyzed chemistry is that expensive and toxic metal residues are invariably left bound to the desired product. Thus, stringent regulatory guidelines exist for the amount of residual Pd that a drug candidate is allowed to contain. In this work, a rapid and simple method for the determination of Pd in API samples by high-energy polarized-beam energy dispersive X-ray fluorescence spectrometry has been developed and validated according to the specification limits of current legislation (10 mg kg−1 Pd) and the International Conference on Harmonisation of Technical Requirements for Registration of Pharmaceuticals for Human Use (ICH guidelines). Sample and calibration standards preparation includes a first step of homogenization and then, in a second step, the pressing of the powdered material into pellets without any chemical treatment. The use of several synthetic calibration standards made of cellulose to simulate the API matrix appears to be an effective means to obtain reliable calibration curves with a good spread of data points over the working range. With the use of the best measuring conditions, the limit of detection (0.11 mg kg−1 Pd) as well as the limit of quantitation (0.37 mg kg−1 Pd) achieved meet rigorous requirements. The repeatability of the XRF measurement appeared to be less than 2%, while the precision of the whole method was around 7%. Trueness was evaluated by analyzing spiked API samples at the level of the specification limit and calculating the recovery factor, which was better than 95%. To study the applicability of the developed methodology for the intended purpose, three batches of the studied API were analyzed for their Pd content, and the attained results were comparable to those obtained by the daily routine method (acid digestion plus atomic spectroscopy) used in most pharmaceutical laboratories.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000263319000015 Publication Date 2009-01-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:74340 Serial 8220  
Permanent link to this record
 
 
Author Isaeva, A.A.; Makarevich, O.N.; Kutznetsov, A.N.; Doert, T.; Abakumov, A.M.; Van Tendeloo, G. doi  openurl
  Title Mixed tellurides Ni3-xGaTe2 (0\leq x\leq0.65): crystal and electronic structures, properties, and nickel deficiency effects on vacancy ordering Type A1 Journal article
  Year 2010 Publication European journal of inorganic chemistry Abbreviated Journal Eur J Inorg Chem  
  Volume Issue 9 Pages (down) 1395-1404  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The Ni3-xGaTe2 series of compounds (0 x 0.65) was synthesized by a high-temperature ceramic technique at 750 °C. Crystal structures of three compounds in the series were determined by X-ray powder diffraction: Ni2.98(1)GaTe2 (RI = 0.042, Rp = 0.023, Rwp = 0.035), Ni2.79(1)GaTe2 (RI = 0.053, Rp = 0.028, Rwp = 0.039), Ni2.58(1)GaTe2 (RI = 0.081, Rp = 0.037, Rwp = 0.056); the structures were verified by electron diffraction and, for the former compound, high-resolution electron microscopy. The compounds crystallize in a hexagonal lattice with P63/mmc, and the structures can be regarded as a hexagonal close-packed array with a -Ga-Te-Te- stacking sequence. The octahedral and trigonal bipyramidal voids in the hcp structure are selectively filled with Ni atoms to form one entirely occupied and two partially occupied sites, thus allowing variations in the nickel content in the series of compounds Ni3-xGaTe2 (0 x 0.65). A superstructure with asup = 2asub (P63/mmc) has been identified for Ni3-xGaTe2 (0.5 x 0.65) by electron diffraction. Real-space, high-resolution images confirm an ordering of Ni atoms and vacancies inthe ab plane. Quantum-chemical calculations performed forNi3-xGaTe2 (x = 0, 0.25, 0.75, 1) suggest anisotropic metallic conductivity and Pauli paramagnetic behavior that are experimentally confirmed for Ni3GaTe2.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000276370300009 Publication Date 2010-02-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1434-1948;1099-0682; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.444 Times cited 8 Open Access  
  Notes Approved Most recent IF: 2.444; 2010 IF: 2.910  
  Call Number UA @ lucian @ c:irua:82266 Serial 2090  
Permanent link to this record
 
 
Author Angelomé, P.C.; Heidari Mezerji, H.; Goris, B.; Pastoriza-Santos, I.; Pérez-Juste, J.; Bals, S.; Liz-Marzán, L.M. pdf  doi
openurl 
  Title Seedless synthesis of single crystalline Au nanoparticles with unusual shapes and tunable LSPR in the near-IR Type A1 Journal article
  Year 2012 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 24 Issue 7 Pages (down) 1393-1399  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The plasmonic properties of metal nanoparticles have acquired great importance because of their potential applications in very diverse fields. Metal nanoparticles with localized surface plasmon resonances (LSPR) in the near-infrared (NIR, 7501300 nm) are of particular interest because tissues, blood, and water display low absorption in this spectral range, thus facilitating biomedical applications. Cetyltrimethylammonium chloride (CTAC) was used to induce the seedless formation of highly anisotropic, twisted single crystalline Au nanoparticles in a single step. The LSPR of the obtained particles can be tuned from 600 nm up to 1400 nm by simply changing the reaction temperature or the reagents concentrations. The tunability of the LSPR is closely associated with significant changes in the final particle morphology, which was studied by advanced electron microscopy techniques (3D Tomography and HAADF-STEM). Kinetic experiments were carried out to establish the growth mechanism, suggesting that slow kinetics together with the complexation of the gold salt precursor to CTAC are key factors favoring the formation of these anisotropic particles.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000302487500020 Publication Date 2012-03-16  
  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 42 Open Access  
  Notes Fwo Approved Most recent IF: 9.466; 2012 IF: 8.238  
  Call Number UA @ lucian @ c:irua:97388 Serial 2959  
Permanent link to this record
 
 
Author Cagno, S.; Janssens, K.; Mendera, M. doi  openurl
  Title Compositional analysis of Tuscan glass samples: in search of raw materials fingerprints Type A1 Journal article
  Year 2008 Publication Analytical and bioanalytical chemistry Abbreviated Journal Anal Bioanal Chem  
  Volume 391 Issue 4 Pages (down) 1389-1395  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000256088700035 Publication Date 2008-02-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1618-2642 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.431 Times cited 26 Open Access  
  Notes Approved Most recent IF: 3.431; 2008 IF: 3.328  
  Call Number UA @ admin @ c:irua:69320 Serial 5545  
Permanent link to this record
 
 
Author Nagy, N.V.; Van Doorslaer, S.; Szabó-Plánka, T.; Van Rompaey, S.; Hamza, A.; Fülöp, F.; Tóth, G.K.; Rockenbauer, A. pdf  doi
openurl 
  Title Copper(II)-binding ability of stereoisomeric cis- and trans-2-aminocyclohexanecarboxylic acidl-phenylalanine dipeptides : a combined CW/pulsed EPR and DFT study Type A1 Journal article
  Year 2012 Publication Inorganic chemistry Abbreviated Journal Inorg Chem  
  Volume 51 Issue 3 Pages (down) 1386-1399  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract With the aim of an improved understanding of the metal-complexation properties of alicyclic β-amino acid stereoisomers, and their peptides, the complex equilibria and modes of coordination with copper(II) of l-phenylalanine (F) derivatives of cis/trans-2-aminocyclohexanecarboxylic acid (c/tACHC), i.e. the dipeptides F-c/tACHC and c/tACHC-F, were investigated by a combination of CW and pulsed EPR methods. For the interpretation of the experimental data, DFT quantum-chemical calculations were carried out. Simulation of a pH-dependent series of room-temperature CW-EPR spectra revealed the presence of EPR-active complexes ([Cu(aqua)]2+, [CuL]+, [CuLH1], [CuLH2]−, and [CuL2H1]−), and an EPR-inactive species ([Cu2L2H3]−) in aqueous solutions for all studied cases. [CuLH]2+ was included in the equilibrium model for the c/tACHC-Fcopper(II) systems, and [CuL2], together with two coordination isomers of [CuL2H1]−, were also identified in the F-tACHCcopper(II) system. Comparison of the complexation properties of the diastereomeric ligand pair F-(1S,2R)-ACHC and F-(1R,2S)-ACHC did not reveal significant differences. Considerably lower formation constants were obtained for the trans than for the cis isomers for both the F-c/tACHC and the c/tACHC-F pairs in the case of [CuLH1] involving tridentate coordination by the amino, the deprotonated peptide, and the carboxylate groups. A detailed structural analysis by pulsed EPR methods and DFT calculations indicated that there was no significant destabilization for the complexes of the trans isomers. The lower stability of their complexes was explained by the limitation that only the conformer with donor groups in equatorialequatorial ring positions can bind to copper(II), whereas both equatorial-axial conformers of the cis isomers are capable of binding. From a consideration of the proton couplings obtained with X-band 1H HYSCORE, 2H exchange experiments, and DFT, the thermodynamically most stable cyclohexane ring conformer was assigned for all four [CuLH1] complexes. For the F-cACHC case, the conformer did not match the most stable conformer of the free ligand.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Easton, Pa Editor  
  Language Wos 000300474700029 Publication Date 2012-01-06  
  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 18 Open Access  
  Notes Approved Most recent IF: 4.857; 2012 IF: 4.593  
  Call Number UA @ lucian @ c:irua:96729 Serial 515  
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Author Dachraoui, W.; Hadermann, J.; Abakumov, A.M.; Tsirlin, A.A.; Batuk, D.; Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Van Tendeloo, G. pdf  doi
openurl 
  Title Local oxygen-vacancy ordering and twinned octahedral tilting pattern in the Bi0.81Pb0.19FeO2.905 cubic perovskite Type A1 Journal article
  Year 2012 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 24 Issue 7 Pages (down) 1378-1385  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The structure of Bi0.81Pb0.19FeO2.905 was investigated on different length scales using a combination of electron diffraction, high-resolution scanning transmission electron microscopy, synchrotron X-ray powder diffraction, and Mössbauer spectroscopy. In the 80300 K temperature range, the average crystal structure of Bi0.81Pb0.19FeO2.905 is a cubic Pm3̅m perovskite with a = 3.95368(3) Å at T = 300 K. The (Pb2+, Bi3+) cations and O2 anions are randomly displaced along the 110 cubic directions, indicating the steric activity of the lone pair on the Pb2+ and Bi3+ cations and a tilting distortion of the perovskite framework. The charge imbalance induced by the heterovalent Bi3+ → Pb2+ substitution is compensated by the formation of oxygen vacancies preserving the trivalent state of the Fe cations. On a short scale, oxygen vacancies are located in anion-deficient (FeO1.25) layers that are approximately 6 perovskite unit cells apart and transform every sixth layer of the FeO6 octahedra into a layer with a 1:1 mixture of corner-sharing FeO4 tetrahedra and FeO5 tetragonal pyramids. The anion-deficient layers act as twin planes for the octahedral tilting pattern of adjacent perovskite blocks. They effectively randomize the octahedral tilting and prevent the cooperative distortion of the perovskite framework. The disorder in the anion sublattice impedes cooperative interactions of the local dipoles induced by the off-center displacements of the Pb and Bi cations. Magnetic susceptibility measurements evidence the antiferromagnetic ordering in Bi0.81Pb0.19FeO2.905 at low temperatures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000302487500018 Publication Date 2012-03-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.466 Times cited 27 Open Access  
  Notes Approved Most recent IF: 9.466; 2012 IF: 8.238  
  Call Number UA @ lucian @ c:irua:97389 Serial 1829  
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