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Author Delabie, A.; Sioncke, S.; Rip, J.; van Elshocht, S.; Caymax, M.; Pourtois, G.; Pierloot, K.
  Title Mechanisms for the trimethylaluminum reaction in aluminum oxide atomic layer deposition on sulfur passivated germanium 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 35 Pages 17523-17532
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Germanium combined with high-κ dielectrics is investigated for the next generations of CMOS devices. Therefore, we study reaction mechanisms for Al2O3 atomic layer deposition on sulfur passivated Ge using calculations based on density functional theory and total reflection X-ray fluorescence (TXRF). TXRF indicates 6 S/nm2 and 4 Al/nm2 after the first TMA/H2O reaction cycle, and growth inhibition from the second reaction cycle on. Calculations are performed on molecular clusters representing −GeSH surface sites. The calculations confirm that the TMA reaction does not affect the S content. On fully SH-terminated Ge, TMA favorably reacts with up to three −GeSH sites, resulting in a near tetrahedral Al coordination. Electron deficient structures with a GeS site shared between two Al atoms are proposed. The impact of the cluster size on the structures and reaction energetics is systematically investigated.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000294386000037 Publication Date 2011-08-01
  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 (down) 9 Open Access
  Notes Approved Most recent IF: 4.536; 2011 IF: 4.805
  Call Number UA @ lucian @ c:irua:91714 Serial 1980
Permanent link to this record
 

 
Author Vandenbroucke, A.M.; Aerts, R.; Van Gaens, W.; De Geyter, N.; Leys, C.; Morent, R.; Bogaerts, A.
  Title Modeling and experimental study of trichloroethylene abatement with a negative direct current corona discharge Type A1 Journal article
  Year 2015 Publication Plasma chemistry and plasma processing Abbreviated Journal Plasma Chem Plasma P
  Volume 35 Issue 35 Pages 217-230
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract In this work, we study the abatement of dilute trichloroethylene (TCE) in air with a negative direct current corona discharge. A numerical model is used to theoretically investigate the underlying plasma chemistry for the removal of TCE, and a reaction pathway for the abatement of TCE is proposed. The Cl atom, mainly produced by dissociation of COCl, is one of the controlling species in the TCE destruction chemistry and contributes to the production of chlorine containing by-products. The effect of humidity on the removal efficiency is studied and a good agreement is found between experiments and the model for both dry (5 % relative humidity (RH)) and humid air (50 % RH). An increase of the relative humidity from 5 % to 50 % has a negative effect on the removal efficiency, decreasing by ±15 % in humid air. The main loss reactions for TCE are with ClO·, O· and CHCl2. Finally, the by-products and energy cost of TCE abatement are discussed.
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York Editor
  Language Wos 000347285800014 Publication Date 2014-09-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0272-4324;1572-8986; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.355 Times cited (down) 9 Open Access
  Notes Approved Most recent IF: 2.355; 2015 IF: 2.056
  Call Number c:irua:118882 Serial 2108
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Author Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R.
  Title On the relative stabilities of the linear and triangular forms of B3N Type A1 Journal article
  Year 1993 Publication Chemical physics Abbreviated Journal Chem Phys
  Volume 178 Issue Pages 77-82
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos A1993MP94200006 Publication Date 2002-07-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0301-0104; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.652 Times cited (down) 9 Open Access
  Notes Approved CHEMISTRY, MULTIDISCIPLINARY 65/163 Q2 # CRYSTALLOGRAPHY 10/26 Q2 #
  Call Number UA @ lucian @ c:irua:6150 Serial 2453
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Author Verberck, B.; Okazaki, T.; Tarakina, N.V.
  Title Ordered and disordered packing of coronene molecules in carbon nanotubes Type A1 Journal article
  Year 2013 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
  Volume 15 Issue 41 Pages 18108-18114
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Monte Carlo simulations of coronene molecules in single-walled carbon nanotubes (SWCNTs) and dicoronylene molecules in SWCNTs are performed. Depending on the diameter D of the encapsulating SWCNT, regimes favoring the formation of ordered, one-dimensional (1D) stacks of tilted molecules (D <= 1.7 nm for coronene@SWCNT, 1.5 nm <= D <= 1.7 nm for dicoronylene@SWCNT) and regimes with disordered molecular arrangements and increased translational mobilities enabling the thermally induced polymerization of neighboring molecules resulting in the formation of graphene nanoribbons (GNRs) are observed. The results show that the diameter of the encapsulating nanotube is a crucial parameter for the controlled synthesis of either highly ordered 1D structures or GNR precursors.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000325400600045 Publication Date 2013-09-05
  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 (down) 9 Open Access
  Notes ; B.V. is a Postdoctoral Fellow of the Research Foundation Flanders (FWO-VI). N.V.T. acknowledges funding by the Bavarian Ministry of Sciences, Research and the Arts. ; Approved Most recent IF: 4.123; 2013 IF: 4.198
  Call Number UA @ lucian @ c:irua:112212 Serial 2502
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Author Panin, R.V.; Khasanova, N.R.; Bougerol, C.; Schnelle, W.; Van Tendeloo, G.; Antipov, E.V.
  Title Ordering of Pd2+ and Pd4+ in the mixed-valent palladate KPd2O3 Type A1 Journal article
  Year 2010 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
  Volume 49 Issue 4 Pages 1295-1297
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A new potassium palladate KPd2O3 was synthesized by the reaction of KO2 and PdO at elevated oxygen pressure. Its crystal structure was solved from powder X-ray diffraction data in the space group Rm (a = 6.0730(1) Å, c = 18.7770(7) Å, and Z = 6). KPd2O3 represents a new structure type, consisting of an alternating sequence of K+ and Pd2O3− layers with ordered Pd2+ and Pd4+ ions. The presence of palladium ions in di- and tetravalent low-spin states was confirmed by magnetic susceptibility measurements.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Easton, Pa Editor
  Language Wos 000274240700009 Publication Date 2010-01-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.857 Times cited (down) 9 Open Access
  Notes Iap Iv Approved Most recent IF: 4.857; 2010 IF: 4.326
  Call Number UA @ lucian @ c:irua:80990 Serial 2507
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Author Wee, L.H.; Meledina, M.; Turner, S.; Custers, K.; Kerkhofs, S.; Van Tendeloo, G.; Martens, J.A.
  Title Hematite iron oxide nanorod patterning inside COK-12 mesochannels as an efficient visible light photocatalyst Type A1 Journal article
  Year 2015 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A
  Volume 3 Issue 3 Pages 19884-19891
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The uniform dispersion of functional oxide nanoparticles on the walls of ordered mesoporous silica to tailor optical, electronic, and magnetic properties for biomedical and environmental applications is a scientific challenge. Here, we demonstrate homogeneous confined growth of 5 nanometer-sized hematite iron oxide (α-Fe2O3) inside mesochannels of ordered mesoporous COK-12 nanoplates. The three-dimensional inclusion of the α-Fe2O3 nanorods in COK-12 particles is studied using high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM), energy-dispersive X-ray (EDX) spectroscopy and electron tomography. High resolution imaging and EDX spectroscopy provide information about the particle size, shape and crystal phase of the loaded α-Fe2O3 material, while electron tomography provides detailed information on the spreading of the nanorods throughout the COK-12 host. This nanocomposite material, having a semiconductor band gap energy of 2.40 eV according to diffuse reflectance spectroscopy, demonstrates an improved visible light photocatalytic degradation activity with rhodamine 6G and 1-adamantanol model compounds.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000362041300033 Publication Date 2015-08-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2050-7488;2050-7496; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.867 Times cited (down) 9 Open Access
  Notes L.H.W. and S.T. thank the FWO-Vlaanderen for a postdoctoral research fellowship (12M1415N) and under contract number G004613N . J.A.M gratefully acknowledge financial supports from Flemish Government (Long-term structural funding-Methusalem). Collaboration among universities was supported by the Belgian Government (IAP-PAI network). Approved Most recent IF: 8.867; 2015 IF: 7.443
  Call Number c:irua:132567 Serial 3959
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Author Rykov, A.; Caignaert, V.; Van Tendeloo, G.; Greneche, J.M.; Studer, F.; Nguyen, N.; Ducouret, A.; Bonville, P.; Raveau, B.
  Title Structural aspects and antiferromagnetic ordering in the “123” derivative LnSr2Cu2Ga1-xFexO7-\delta (Ln = Y, Ho) Type A1 Journal article
  Year 1994 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume 113 Issue Pages 94-108
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos A1994PP02200014 Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.133 Times cited (down) 9 Open Access
  Notes Approved
  Call Number UA @ lucian @ c:irua:10037 Serial 3204
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Author Dombrovski, E.N.; Serov, T.V.; Abakumov, A.M.; Ardashnikova, E.I.; Dolgikh, V.A.; Van Tendeloo, G.
  Title The structural investigation of Ba4Bi3F17 Type A1 Journal article
  Year 2004 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume 177 Issue 1 Pages 312-318
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000188534800041 Publication Date 2003-11-20
  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 (down) 9 Open Access
  Notes Approved Most recent IF: 2.299; 2004 IF: 1.815
  Call Number UA @ lucian @ c:irua:54717 Serial 3239
Permanent link to this record
 

 
Author Kurttepeli, M.; Deng, S.; Verbruggen, S.W.; Guzzinati, G.; Cott, D.J.; Lenaerts, S.; Verbeeck, J.; Van Tendeloo, G.; Detavernier, C.; Bals, S.
  Title Synthesis and characterization of photoreactive TiO2carbon nanosheet composites 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 36 Pages 21031-21037
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL)
  Abstract We report the atomic layer deposition of titanium dioxide on carbon nanosheet templates and investigate the effects of postdeposition annealing in a helium environment using different characterization techniques. The crystallization of the titanium dioxide coating upon annealing is observed using in situ X-ray diffraction. The (micro)structural characterization of the films is carried out by scanning electron microscopy and advanced transmission electron microscopy techniques. Our study shows that the annealing of the atomic layer deposition processed and carbon nanosheets templated titanium dioxide layers in helium environment resulting in the formation of a porous, nanocrystalline and photocatalytically active titanium dioxide-carbon nanosheet composite film. Such composites are suitable for photocatalysis and dye-sensitized solar cells applications.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000341619500034 Publication Date 2014-08-23
  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 (down) 9 Open Access OpenAccess
  Notes This research was funded by the Flemish research foundation FWO-Vlaanderen, by the European Research Council (Starting Grant No. 239865) and by the Special Research Fund BOF of Ghent University (GOA-01G01513). G.G, M.K., J.V., S.B., and G.V.T. acknowledge funding from the European Research Council under the seventh Framework Program (FP7), ERC Starting Grant No. 278510 VORTEX and No. 335078 COLOURATOMS. ECASJO;; ECASSara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 4.536; 2014 IF: 4.772
  Call Number UA @ lucian @ c:irua:119085 Serial 3416
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Author Morozov, V.A.; Arakcheeva, A.V.; Konovalova, V.V.; Pattison, P.; Chapuis, G.; Lebedev, O.I.; Fomichev, V.V.; Van Tendeloo, G.
  Title LiZnNb4O11.5 : a novel oxygen deficient compound in the Nb-rich part of the Li2O-ZnO-Nb2O5 system Type A1 Journal article
  Year 2010 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume 183 Issue 2 Pages 408-418
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A novel lithium zinc niobium oxide LiZnNb(4)O(11.5) (LZNO) has been found in the Nb-rich part of Li(2)O-ZnO-Nb(2)O(5) system. LZNO, with an original alpha-PbO(2) related structure, has been synthesized by the routine ceramic technique and characterized by X-ray diffraction and transmission electron microscopy (TEM). Reflections belonging to the LZNO phase, observed in X-ray powder diffraction (XRPD) and electron diffraction, have been indexed as monoclinic with unit cell parameters a=17.8358(9)angstrom, b=15.2924(7)angstrom, c=5.0363(3)angstrom and gamma=96.607(5)degrees or as alpha-PbO(2)-like with lattice constants a=4.72420(3)angstrom, b=5.72780(3)angstrom, c=5.03320(3)angstrom, gamma=90.048(16)degrees and modulation vector q=0.3a*+1.1b* indicating a commensurately modulated alpha-PbO(2) related structure. The monoclinic cell is a supercell related to the latter. Using synchrotron powder diffraction data, the structure has been solved and refined as a commensurate modulation (superspace group P112(1)/n(alpha beta 0)00) as well as a supercell (space group P2(1)/b). The superspace description allows us to consider the LZNO structure as a member of the proposed alpha-PbO(2)-Z (3 + 1)D structure type, which unifies both incommensurately and commensurately modulated structures. HRTEM reveals several types of defects in LZNO and structural models for these defects are proposed. Two new phases in Li(2)O-ZnO-Nb(2)O(5) system are predicted on the basis of this detailed HRTEM analysis. (C) 2009 Elsevier Inc. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000274497600020 Publication Date 2009-12-17
  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 (down) 9 Open Access
  Notes Iap-Vi Approved Most recent IF: 2.299; 2010 IF: 2.261
  Call Number UA @ lucian @ c:irua:95646 Serial 3542
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Author Abakumov, A.M.; Hadermann, J.; Van Tendeloo, G.; Kovba, M.L.; Skolis, Y.Y.; Mudretsova, S.N.; Antipov, E.V.; Volkova, O.S.; Vasiliev, A.N.; Tristan, N.; Klingeler, R.; Büchner, B.
  Title [SrF0.8(OH)0.2]2.526[Mn6O12]: columnar rock-salt fragments inside the todorokite-type tunnel structure Type A1 Journal article
  Year 2007 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 19 Issue 5 Pages 1181-1189
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000244467800035 Publication Date 2007-02-13
  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 (down) 9 Open Access
  Notes Iap V-1 Approved Most recent IF: 9.466; 2007 IF: 4.883
  Call Number UA @ lucian @ c:irua:62525 Serial 3561
Permanent link to this record
 

 
Author Eckert, M.; Mortet, V.; Zhang, L.; Neyts, E.; Verbeeck, J.; Haenen, ken; Bogaerts, A.
  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 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 (down) 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
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Author Bogaerts, A.; Gijbels, R.
  Title Three-dimensional modeling of a direct current glow discharge in argon: is it better than one-dimensional modeling? Type A1 Journal article
  Year 1997 Publication Fresenius' journal of analytical chemistry Abbreviated Journal Fresen J Anal Chem
  Volume 359 Issue Pages 331-337
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Berlin Editor
  Language Wos A1997YC02800005 Publication Date 2002-08-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0937-0633;1432-1130; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited (down) 9 Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:19608 Serial 3654
Permanent link to this record
 

 
Author Charkin, D.O.; Demchyna, R.; Prots, Y.; Borrmann, H.; Burkhardt, U.; Schwarz, U.; Schnelle, W.; Plokhikh, I.V.; Kazakov, S.M.; Abakumov, A.M.; Batuk, D.; Verchenko, V.Y.; Tsirlin, A.A.; Curfs, C.; Grin, Y.; Shevelkov, A.V.;
  Title Two New Arsenides, Eu7Cu44As23 and Sr7Cu44As23, With a New Filled Variety of the BaHg11 Structure Type A1 Journal article
  Year 2014 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
  Volume 53 Issue 20 Pages 11173-11184
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Two new ternary arsenides, namely, Eu7Cu44As23 and Sr7Cu44As23, were synthesized from elements at 800 degrees C. Their crystal structure represents a new filled version of the BaHg11 motif with cubic voids alternately occupied by Eu(Sr) and As atoms, resulting in a 2 x 2 x 2 superstructure of the aristotype: space group Fm (3) over barm, a = 16.6707(2) angstrom and 16.7467(2) angstrom, respectively. The Eu derivative exhibits ferromagnetic ordering below 17.5 K. In agreement with band structure calculations both compounds are metals, exhibiting relatively low thermopower, but high electrical and low thermal conductivity.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Easton, Pa Editor
  Language Wos 000343527700049 Publication Date 2014-09-29
  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 (down) 9 Open Access
  Notes Approved Most recent IF: 4.857; 2014 IF: 4.762
  Call Number UA @ lucian @ c:irua:121141 Serial 3784
Permanent link to this record
 

 
Author Cornil, D.; Li, H.; Wood, C.; Pourtois, G.; Bredas, J.-L.; Cornil, J.
  Title Work-function modification of Au and Ag surfaces upon deposition of self-assembled monolayers : influence of the choice of the theoretical approach and the thiol decomposition scheme Type A1 Journal article
  Year 2013 Publication ChemPhysChem : a European journal of chemical physics and physical chemistry Abbreviated Journal Chemphyschem
  Volume 14 Issue 13 Pages 2939-2946
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract We have characterized theoretically the work-function modifications of the (111) surfaces of gold and silver upon deposition of self-assembled monolayers based on methanethiol and trifluoromethanethiol. A comparative analysis is made between the experimental results and those obtained from two widely used approaches based on density functional theory. The contributions to the total work-function modifications are estimated on the basis of two decomposition schemes of the thiol molecules that have been proposed in the literature. The contributions are found to differ significantly between the two approaches, as do the corresponding adsorption energies.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000324316000014 Publication Date 2013-07-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1439-4235; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.075 Times cited (down) 9 Open Access
  Notes Approved Most recent IF: 3.075; 2013 IF: 3.360
  Call Number UA @ lucian @ c:irua:112278 Serial 3923
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Author Retuerto, M.; Skiadopoulou, S.; Li, M.R.; Abakumov, A.M.; Croft, M.; Ignatov, A.; Sarkar, T.; Abbett, B.M.; Pokorný, J.; Savinov, M.; Nuzhnyy, D.; Prokleška, J.; Abeykoon, M.; Stephens, P.W.; Hodges, J.P.; Vaněk, P.; Fennie, C.J.; Rabe, K.M.; Kamba, S.; Greenblatt, M.;
  Title Pb2MnTeO6 double perovskite : an antipolar anti-ferromagnet Type A1 Journal article
  Year 2016 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
  Volume 55 Issue 55 Pages 4320-4329
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Pb2MnTeO6, a new double perovskite, was synthesized. Its crystal structure was determined by synchrotron X-ray and powder neutron diffraction. Pb2MnTeO6 is monoclinic (I2/m) at room temperature with a regular arrangement of all the cations in their polyhedra. However, when the temperature is lowered to similar to 120 K it undergoes a phase transition from I2/m to C2/c structure. This transition is accompanied by a displacement of the Pb atoms from the center of their polyhedra due to the 6s2 lone-pair electrons, together with a surprising off-centering of Mn2+ (d5) magnetic cations. This strong first-order phase transition is also evidenced by specific heat, dielectric, Raman, and infrared spectroscopy measurements. The magnetic characterizations indicate an anti-ferromagnetic (AFM) order below TN approximate to 20 K; analysis of powder neutron diffraction data confirms the magnetic structure with propagation vector k = (0 1 0) and collinear AFM spins. The observed jump in dielectric permittivity near similar to 150 K implies possible anti-ferroelectric behavior; however, the absence of switching suggests that Pb2MnTeO6 can only be antipolar. First-principle calculations confirmed that the crystal and magnetic structures determined are locally stable and that anti-ferroelectric switching is unlikely to be observed in Pb2MnTeO6.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Easton, Pa Editor
  Language Wos 000375519700027 Publication Date 2016-04-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.857 Times cited (down) 9 Open Access
  Notes Approved Most recent IF: 4.857
  Call Number UA @ lucian @ c:irua:134219 Serial 4258
Permanent link to this record
 

 
Author Aghaei, M.; Lindner, H.; Bogaerts, A.
  Title Ion Clouds in the Inductively Coupled Plasma Torch: A Closer Look through Computations Type A1 Journal article
  Year 2016 Publication Analytical chemistry Abbreviated Journal Anal Chem
  Volume 88 Issue 88 Pages 8005-8018
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract We have computationally investigated the introduction of copper elemental particles in an inductively coupled plasma torch connected to a sampling cone, including for the first time the ionization of the sample. The sample is inserted as liquid particles, which are followed inside the entire torch, i.e., from the injector inlet up to the ionization and reaching the sampler. The spatial position of the ion clouds inside the torch as well as detailed information on the copper species fluxes at the position of the sampler orifice and the exhausts of the torch are provided. The effect of on- and off-axis injection is studied. We clearly show that the ion clouds of on-axis injected material are located closer to the sampler with less radial diffusion. This guarantees a higher transport efficiency through the sampler cone. Moreover, our model reveals the optimum ranges of applied power and flow rates, which ensure the proper position of ion clouds inside the torch, i.e., close enough to the sampler to increase the fraction that can enter the mass spectrometer and with minimum loss of material toward the exhausts as well as a sufficiently high plasma temperature for efficient ionization.
  Address Research Group PLASMANT, Chemistry Department, University of Antwerp , Universiteitsplein 1, 2610 Antwerp, Belgium
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language English Wos 000381654800020 Publication Date 2016-07-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-2700 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.32 Times cited (down) 9 Open Access
  Notes The authors gratefully acknowledge financial support from the Fonds voor Wetenschappelijk Onderzoek (FWO), Grant Number 6713. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the UA. Approved Most recent IF: 6.32
  Call Number PLASMANT @ plasmant @ c:irua:135644 Serial 4293
Permanent link to this record
 

 
Author Pulinthanathu Sree, S.; Dendooven, J.; Geerts, L.; Ramachandran, R.K.; Javon, E.; Ceyssens, F.; Breynaert, E.; Kirschhock, C.E.A.; Puers, R.; Altantzis, T.; Van Tendeloo, G.; Bals, S.; Detavernier, C.; Martens, J.A.
  Title 3D porous nanostructured platinum prepared using atomic layer deposition Type A1 Journal article
  Year 2017 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A
  Volume 5 Issue 5 Pages 19007-19016
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract A robust and easy to handle 3D porous platinum structure was created via replicating the 3D channel system

of an ordered mesoporous silica material using atomic layer deposition (ALD) over micrometer distances.

After ALD of Pt in the silica material, the host template was digested using hydrogen fluoride (HF). A fully

connected ordered Pt nanostructure was obtained with morphology and sizes corresponding to that of

the pores of the host matrix, as revealed with high-resolution scanning transmission electron

microscopy and electron tomography. The Pt nanostructure consisted of hexagonal Pt rods originating

from the straight mesopores (11 nm) of the host structure and linking features resulting from Pt

replication of the interconnecting mesopore segments (2–4 nm) present in the silica host structure.

Electron tomography of partial replicas, made by incomplete infilling of Zeotile-4 material with Pt,

provided insight in the connectivity and formation mechanism of the Pt nanostructure by ALD. The Pt

replica was evaluated for its potential use as electrocatalyst for the hydrogen evolution reaction, one of

the half-reactions of water electrolysis, and as microelectrode for biomedical sensing. The Pt replica

showed high activity for the hydrogen evolution reaction and electrochemical characterization revealed

a large impedance improvement in comparison with reference Pt electrodes.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000411232100010 Publication Date 2017-06-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2050-7488 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.867 Times cited (down) 9 Open Access OpenAccess
  Notes This work was supported by the Flemish government through long-term structural funding (Methusalem) to JAM and FWO for a research project (G0A5417N). JD, TA and FC acknowledge Flemish FWO for a post-doctoral fellowship. S. B. acknowledges funding from ERC Starting Grant COLOURATOMS (335078). (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); saraecas; ECAS_Sara; Approved Most recent IF: 8.867
  Call Number EMAT @ emat @ c:irua:144624 c:irua:144624 c:irua:144624UA @ admin @ c:irua:144624 Serial 4634
Permanent link to this record
 

 
Author Abeysinghe, D.; Smith, M.D.; Yeon, J.; Tran, T.T.; Sena, R.P.; Hadermann, J.; Halasyamani, P.S.; zur Loye, H.-C.
  Title Crystal growth and structure analysis of Ce-18-W-10-O-57 : a complex oxide containing tungsten in an unusual trigonal prismatic coordination environment Type A1 Journal article
  Year 2017 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
  Volume 56 Issue 5 Pages 2566-2575
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The noncentrosymmetric tungstate oxide, Ce18W10O57) was synthesized for the first time as high-quality single crystals via the molten chloride flux method and structurally characterized by single-crystal X-ray diffraction. The compound is a structural analogue to the previously reported La18W10O57, which crystallizes in the hexagonal space group P (6) over bar 2c. The +3 oxidation state of cerium in Ce18W10O57 was achieved via the in situ reduction of Ce(IV) to Ce(III) using Zn metal. The structure consists of both isolated and face-shared WO6 octahedra and, surprisingly, isolated WO6 trigonal prisms. A careful analysis of the packing arrangement in the structure makes it possible to explain the unusual structural architecture of Ce18W10O57, which is described in detail. The temperature-dependent magnetic susceptibility of Ce18W10O57 indicates that the cerium(III) f(1) cations do not order magnetically and exhibit simple paramagnetic behavior. The SHG efficiency of Ln(18)W(10)O(57) (Ln = La, Ce) was measured as a function of particle size, and both compounds were found to be SHG active with efficiency approximately equal to that of alpha-SiO2.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Easton, Pa Editor
  Language Wos 000395847300026 Publication Date 2017-02-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.857 Times cited (down) 9 Open Access Not_Open_Access
  Notes ; Financial support for this work was provided by the National Science Foundation under DMR-1301757 and is gratefully acknowledged. T.T.T. and P.S.H. thank the Welch Foundation (Grant E-1457) and NSF-DMR-1503573. ; Approved Most recent IF: 4.857
  Call Number UA @ lucian @ c:irua:142449 Serial 4643
Permanent link to this record
 

 
Author Thirumalraj, alamurugan; Palanisamy, S.; Chen, S.-M.; De Wael, K.
  Title A graphene/gelatin composite material for the entrapment of hemoglobin for bioelectrochemical sensing applications Type A1 Journal article
  Year 2016 Publication Journal of the electrochemical society Abbreviated Journal J Electrochem Soc
  Volume 163 Issue 7 Pages 265-271
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract In the present work, a novel graphene (GN) and gelatin (GTN) composite was prepared and used as an immobilization matrix for hemoglobin (Hb). Compared with Hb immobilized on a bare, GN or GTN modified glassy carbon electrode (GCE), a stable and pair of well-defined quasi redox couple was observed at an Hb modified GN/GTN composite GCE at a formal potential of −0.306 V versus Ag|AgCl. The direct electrochemical behavior of Hb was greatly enhanced by the presence of both GTN and GN. A heterogeneous electron transfer rate constant (Ks) was calculated as 3.82 s−1 for Hb immobilized at GN/GTN modified GCE, which indicates the fast direct electron transfer of Hb toward the electrode surface. The biosensor shows a stable and wide linear response for H2O2 in the linear response range from 0.1 μM to 786.6 μM with an analytical sensitivity and limit of detection of 0.48 μAμM−1 cm−2 and 0.04 μM, respectively. The fabricated biosensor holds its high selectivity in the presence of potentially active interfering species and metal ions. The biosensor shows its satisfactory practical ability in the commercial contact lens solution and human serum samples.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000377412900047 Publication Date 2016-04-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0013-4651 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.259 Times cited (down) 9 Open Access
  Notes ; This project was supported by the Ministry of Science and Technology (project no. NSC1012113M027001MY3), Taiwan (Republic of China). The authors express their sincere thanks to Prof. Bih-Show Lou, Chemistry Division, Center for General Education, Chang Gung University, Tao-Yuan, Taiwan for providing the human serum samples. ; Approved Most recent IF: 3.259
  Call Number UA @ admin @ c:irua:132627 Serial 5635
Permanent link to this record
 

 
Author Ayalew, E.; Janssens, K.; De Wael, K.
  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 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 (down) 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 Smits, M.; Ling, Y.; Lenaerts, S.; Van Doorslaer, S.
  Title Photocatalytic removal of soot : unravelling of the reaction mechanism by EPR and in situ FTIR spectroscopy Type A1 Journal article
  Year 2012 Publication ChemPhysChem : a European journal of chemical physics and physical chemistry Abbreviated Journal Chemphyschem
  Volume 13 Issue 18 Pages 4251-4257
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Photocatalytic soot oxidation is studied on P25 TiO2 as an important model reaction for self-cleaning processes by means of electron paramagnetic resonance (EPR) and Fourier transform infrared (FTIR) spectroscopy. Contacting of carbon black with P25 leads on the one hand to a reduction of the local dioxygen concentration in the powder. On the other hand, the weakly adsorbed radicals on the carbon particles are likely to act as alternative traps for the photogenerated conduction-band electrons. We find furthermore that the presence of dioxygen and oxygen-related radicals is vital for the photocatalytic soot degradation. The complete oxidation of soot to CO2 is evidenced by in situ FTIR spectroscopy, no intermediate CO is detected during the photocatalytic process.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000313692600026 Publication Date 2012-11-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1439-4235 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.075 Times cited (down) 9 Open Access
  Notes ; This work was supported by the University of Antwerp (PhD grants of M. S. and Y.L.). We would like to thank Birger Hauchecorne for the scientific discussion. ; Approved Most recent IF: 3.075; 2012 IF: 3.349
  Call Number UA @ admin @ c:irua:104568 Serial 5980
Permanent link to this record
 

 
Author Minjauw, M.M.; Solano, E.; Sree, S.P.; Asapu, R.; Van Daele, M.; Ramachandran, R.K.; Heremans, G.; Verbruggen, S.W.; Lenaerts, S.; Martens, J.A.; Detavernier, C.; Dendooven, J.
  Title Plasma-enhanced atomic layer deposition of silver using Ag(fod)(PEt3) and NH3-plasma Type A1 Journal article
  Year 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 29 Issue 17 Pages 7114-7121
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract A plasma-enhanced atomic layer deposition (ALD) process using the Ag(fod)(PEt3) precursor [(triethylphosphine)(6,6,7,7,8,8,8-heptafluoro-2,2-dimethy1-3,5-octanedionate)silver(I)] in combination with NH3-plasma is reported. The steady growth rate of the reported process (0.24 +/- 0.03 nm/cycle) was found to be 6 times larger than that of the previously reported Ag ALD process based on the same precursor in combination with H-2-plasma (0.04 +/- 0.02 nm/cycle). The ALD characteristics of the H-2-plasma and NH3-plasma processes were verified. The deposited Ag films were polycrystalline face-centered cubic Ag for both processes. The film morphology was investigated by ex situ scanning electron microscopy and grazing-incidence small-angle X-ray scattering, and it was found that films grown with the NH3-plasma process exhibit a much higher particle areal density and smaller particle sizes on oxide substrates compared to those deposited using the H-2-plasma process. This control over morphology of the deposited Ag is important for applications in catalysis and plasmonics. While films grown with the H-2-plasma process had oxygen impurities (similar to 9 atom %) in the bulk, the main impurity for the NH3-plasma process was nitrogen (similar to 7 atom %). In situ Fourier transform infrared spectroscopy experiments suggest that these nitrogen impurities are derived from NH surface groups generated during the NH3-plasma, which interact with the precursor molecules during the precursor pulse. We propose that the reaction of these surface groups with the precursor leads to additional deposition of Ag atoms during the precursor pulse compared to the H-2-plasma process, which explains the enhanced growth rate of the NH3-plasma process.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000410868600012 Publication Date 2017-08-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.466 Times cited (down) 9 Open Access
  Notes ; M.M.M. and J.D. acknowledge the Fonds Wetenschappelijk Onderzoek Vlaanderen (FWO Vlaanderen) for financial support through a personal research grant. We also acknowledge FWO Vlaanderen for providing project funding for this work. We are grateful to the ESRF staff for smoothly running the synchrotron and beamline facilities. We also thank Olivier Janssens for performing the SEM measurements and Stefaan Broekaert for mechanical assistance. J.A.M. acknowledges the Flemish Government for long-term structural funding (Methusalem). ; Approved Most recent IF: 9.466
  Call Number UA @ admin @ c:irua:146757 Serial 5983
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Author Renero-Lecuna, C.; Herrero, A.; Jimenez de Aberasturi, D.; Martínez-Flórez, M.; Valiente, R.; Mychinko, M.; Bals, S.; Liz-Marzán, L.M.
  Title Nd3+-Doped Lanthanum Oxychloride Nanocrystals as Nanothermometers Type A1 Journal article
  Year 2021 Publication Journal Of Physical Chemistry C Abbreviated Journal J Phys Chem C
  Volume 125 Issue 36 Pages 19887-19896
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The development of optical nanothermometers operating in the near-infrared (NIR) is of high relevance toward temperature measurements in biological systems. We propose herein the use of Nd3+-doped lanthanum oxychloride nanocrystals as an efficient system with intense photoluminescence under NIR irradiation in the first biological transparency window and emission in the second biological window with excellent emission stability over time under 808 nm excitation, regardless of Nd3+ concentration, which can be considered as a particular strength of our system. Additionally, surface passivation through overgrowth of an inert LaOCl shell around optically active LaOCl/Nd3+ cores was found to further enhance the photoluminescence intensity and also the lifetime of the 1066 nm, 4F3/2 to 4I11/2 transition, without affecting its (ratiometric) sensitivity toward temperature changes. As required for biological applications, we show that the obtained (initially hydrophobic) nanocrystals can be readily transferred into aqueous solvents with high, long-term stability, through either ligand exchange or encapsulation with an amphiphilic polymer.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000697335100031 Publication Date 2021-09-16
  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 4.536 Times cited (down) 9 Open Access OpenAccess
  Notes The authors thank the financial support of the European Research Council (ERC-AdG-2017 787510, ERC-CoG-2019 815128) and of the European Commission (EUSMI, Grant 731019). This work was performed under the Maria de Maeztu Units of Excellence Program from the Spanish State Research Agency−Grant MDM-2017−0720. Realnano; sygmaSB Approved Most recent IF: 4.536
  Call Number EMAT @ emat @c:irua:181671 Serial 6831
Permanent link to this record
 

 
Author Akbali, B.; Yagmurcukardes, M.; Peeters, F.M.; Lin, H.-Y.; Lin, T.-Y.; Chen, W.-H.; Maher, S.; Chen, T.-Y.; Huang, C.-H.
  Title Determining the molecular orientation on the metal nanoparticle surface through surface-enhanced Raman spectroscopy and density functional theory simulations Type A1 Journal article
  Year 2021 Publication Journal Of Physical Chemistry C Abbreviated Journal J Phys Chem C
  Volume 125 Issue 29 Pages 16289-16295
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract We report here the efficacy of surface-enhanced Raman spectroscopy (SERS) measurements as a probe for molecular orientation. 4-Aminobenzoic acid (PABA) on a surface consisting of silver (Ag) nanoparticles (NPs) is investigated. We find that the orientation of the PABA molecule on the SERS substrate is estimated based on the relative change in the magnitude of the C-H stretching bands on the SERS substrate, and it is found that the molecule assumes a horizontal orientation on the Ag-NP surface. The strong molecule-metal interaction is determined by an abnormal enhanced SERS band appearing at 980 cm(-1), and the peak is assigned to an out-of-plane amine vibrational mode, which is supported by our ab initio calculations. DFT-based Raman activity calculations corroborate the SERS results, revealing that (i) the PABA molecule attaches to the surface of Ag-NPs with its alpha dimers rather than single-molecule binding and (ii) the molecule preserves its alpha dimers in an aqueous environment. Our results demonstrate that SERS can be used to gain deeper insights into the molecular orientation on metal nanoparticle surfaces.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000680445800055 Publication Date 2021-07-19
  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 (down) 9 Open Access Not_Open_Access
  Notes Approved Most recent IF: 4.536
  Call Number UA @ admin @ c:irua:180455 Serial 6978
Permanent link to this record
 

 
Author Nivesanond, K.; Peeters, A.; Lamoen, D.; van Alsenoy, C.
  Title Ab initio calculation of the interaction energy in the P2 binding pocket of HIV-1 protease Type A1 Journal article
  Year 2005 Publication International Journal Of Quantum Chemistry Abbreviated Journal Int J Quantum Chem
  Volume 105 Issue 3 Pages 292-299
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000232232300009 Publication Date 2005-07-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0020-7608;1097-461X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.92 Times cited (down) 8 Open Access
  Notes Approved Most recent IF: 2.92; 2005 IF: 1.192
  Call Number UA @ lucian @ c:irua:54919 Serial 30
Permanent link to this record
 

 
Author Abakumov, A.M.; d' Hondt, H.; Rossell, M.D.; Tsirlin, A.A.; Gutnikova, O.; Filimonov, D.S.; Schnelle, W.; Rosner, H.; Hadermann, J.; Van Tendeloo, G.; Antipov, E.V.
  Title Coupled anion and cation ordering in Sr3RFe4O10.5 (R=Y, Ho, Dy) anion-deficientperovskites Type A1 Journal article
  Year 2010 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume 183 Issue 12 Pages 2845-2854
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The Sr3RFe4O10.5 (R=Y, Ho, Dy) anion-deficient perovskites were prepared using a solid-state reaction in evacuated sealed silica tubes. Transmission electron microscopy and 57Fe Mössbauer spectroscopy evidenced a complete A-cations and oxygen vacancies ordering. The structure model was further refined by ab initio structure relaxation, based on density functional theory calculations. The compounds crystallize in a tetragonal a≈2√2ap≈11.3 Å, с≈4сp≈16 Å unit cell (ap: parameter of the perovskite subcell) with the P42/mnm space group. Oxygen vacancies reside in the (FeO5/4□3/4) layers, comprising corner-sharing FeO4 tetrahedra and FeO5 tetragonal pyramids, which are sandwiched between the layers of the FeO6 octahedra. Smaller R atoms occupy the 9-fold coordinated position, whereas the 10-fold coordinated positions are occupied by larger Sr atoms. The Fe sublattice is ordered aniferromagnetically up to at least 500 K, while the rare-earth sublattice remains disordered down to 2 K.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000285431100014 Publication Date 2010-10-02
  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 (down) 8 Open Access
  Notes Approved Most recent IF: 2.299; 2010 IF: 2.261
  Call Number UA @ lucian @ c:irua:88071 Serial 533
Permanent link to this record
 

 
Author Van Tendeloo, G.
  Title High resolution electron microscopy in materials research Type A1 Journal article
  Year 1998 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem
  Volume 8 Issue 4 Pages 797-808
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000073072600001 Publication Date 2002-07-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited (down) 8 Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:25657 Serial 1451
Permanent link to this record
 

 
Author Mazo, G.N.; Savvin, S.N.; Abakumov, A.M.; Hadermann, J.; Dobrovol'skii, Y.A.; Leonova, L.S.
  Title Lanthanum-strontium cuprate as a promising cathodic matreila for solid oxide fuel cells Type A1 Journal article
  Year 2007 Publication Russian journal of electrochemistry Abbreviated Journal Russ J Electrochem+
  Volume 43 Issue 4 Pages 436-442
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000246338500010 Publication Date 2007-05-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1023-1935;1608-3342; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 0.828 Times cited (down) 8 Open Access
  Notes Approved Most recent IF: 0.828; 2007 IF: 0.263
  Call Number UA @ lucian @ c:irua:62062 Serial 1777
Permanent link to this record
 

 
Author Lepoittevin, C.; Malo, S.; Nguyen, N.; Hebert, S.; Van Tendeloo, G.; Hervieu, M.
  Title A layered iron-rich 2234-type with a mixed valence of iron: the ferrimagnetic Tl-doped Fe2(Sr2-\varepsilonTl\varepsilon)Sr3Fe4O14.65 Type A1 Journal article
  Year 2008 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 20 Issue 20 Pages 6468-6476
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A new Tl-doped strontium ferrite Fe2(Sr2-Tl)Sr3Fe4O14.65, with an original structure, has been synthesized and structurally characterized by powder X-ray diffraction and transmission electron microscopy. The TGA and Mssbauer studies evidence a mixed valence of iron. The structure exhibits a commensurate modulation, with a F-type subcell a ≈ b ≈ 5.4 Å (≈ ap√2), c ≈ 42 Å with a modulation vector q = αa* with α = 0.4. The supercell parameters have been refined as a= 27.1101(8) Å, b= 5.5187(2) Å and c= 42.0513(9) Å, in the space group Fmmm. The electron diffraction and electron microscopy data of this novel ferrite show that it can be described as a FeTl-2234-type structure corresponding to the intergrowth of a quadruple perovskite slice [(SrFeO2.8)4], with a complex rock salt related slice [Fe2(Sr2-Tl)O3.4]∞, built up of one double iron layer [Fe2O2.4] sandwiched between two [SrO] layers. The HRTEM images show that the oxygen atoms and vacancies are randomly distributed in the perovskite layers while the HAADF STEM images evidence the absence of Tl segregation in the matrix. Fe2(Sr2-Tl)Sr3Fe4O14.65 exhibits a very large value of χ (11emu/mol) at 5 K, which remains large at 400 K; the M(H) loop presents a shape characteristic of ferrimagnetism, with a large coercive field of 0.3 T. The value of magnetization saturates at 400 K at 0.68 μB/Fe. At 10 K, the value of magnetization reaches a maximum of 2 μB/Fe. The resistivity presents a semiconducting-like behavior, with ρ 800 Ω·cm at 300 K.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000260254400030 Publication Date 2008-09-25
  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 (down) 8 Open Access
  Notes Approved Most recent IF: 9.466; 2008 IF: 5.046
  Call Number UA @ lucian @ c:irua:76671 Serial 1804
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