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Author Loreto, S.; Cuypers, B.; Brokken, J.; Van Doorslaer, S.; De Wael, K.; Meynen, V.
  Title (up) The effect of the buffer solution on the adsorption and stability of horse heart myoglobin on commercial mesoporous titanium dioxide : a matter of the right choice Type A1 Journal article
  Year 2017 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
  Volume 19 Issue 21 Pages 13503-13514
  Keywords A1 Journal article; Laboratory of adsorption and catalysis (LADCA); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract Despite the numerous studies on the adsorption of different proteins onto mesoporous titanium dioxide and indications on the important role of buffer solutions in bioactivity, a systematic study on the impact of the buffer on the protein incorporation into porous substrates is still lacking. We here studied the interaction between a commercial mesoporous TiO2 and three of the most used buffers for protein incorporation, i.e. HEPES, Tris and phosphate buffer. In addition, this paper analyzes the adsorption of horse heart myoglobin (hhMb) onto commercial mesoporous TiO2 as a model system to test the influence of buffers on the protein incorporation behavior in mesoporous TiO2. N2 sorption analysis, FT-IR and TGA/DTG measurements were used to evaluate the interaction between the buffers and the TiO2 surface, and the effect of such an interaction on hhMb adsorption. Cyclic voltammetry (CV) and electron paramagnetic resonance (EPR) were used to detect changes in the microenvironment surrounding the heme. The three buffers show a completely different interaction with the TiO2 surface, which drastically affects the adsorption of myoglobin as well as its structure and electrochemical activity. Therefore, special attention is required while choosing the buffer medium to avoid misguided evaluation of protein adsorption on mesoporous TiO2.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000402488300013 Publication Date 2017-04-27
  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 2 Open Access
  Notes ; We are grateful to Gert Nuyts for performing the XRF measurements, and Dr Stanislav Trashin for his assistance during the electrochemical experiments. This work is supported by the Research Foundation – Flanders (FWO) (grant G.0687.13) and the University of Antwerp (BOF project). ; Approved Most recent IF: 4.123
  Call Number UA @ admin @ c:irua:143514 Serial 5582
Permanent link to this record
 
 
Author Hamelet, S.; Gibot, P.; Casas-Cabanas, M.; Bonnin, D.; Grey, C.P.; Cabana, J.; Leriche, J.B.; Rodriguez-Carvajal, J.; Courty, M.; Levasseur, S.; Carlach, P.; Van Thournout, M.; Tarascon, J.M.; Masquelier, C.;
  Title (up) The effects of moderate thermal treatments under air on LiFePO4-based nano powders Type A1 Journal article
  Year 2009 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem
  Volume 19 Issue 23 Pages 3979-3991
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The thermal behavior under air of LiFePO(4)-based powders was investigated through the combination of several techniques such as temperature-controlled X-ray diffraction, thermogravimetric analysis and Mossbauer and NMR spectroscopies. The reactivity with air at moderate temperatures depends on the particle size and leads to progressive displacement of Fe from the core structure yielding nano-size Fe(2)O(3) and highly defective, oxidized Li(x)Fe(y)PO(4) compositions whose unit-cell volume decreases dramatically when the temperature is raised between 400 and 600 K. The novel LiFePO(4)-like compositions display new electrochemical reactivity when used as positive electrodes in Li batteries. Several redox phenomena between 3.4 V and 2.7 V vs. Li were discovered and followed by in-situ X-ray diffraction, which revealed two distinct solid solution domains associated with highly anisotropic variations of the unit-cell constants.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000266615800024 Publication Date 2009-05-05
  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 93 Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:94582 Serial 867
Permanent link to this record
 
 
Author Ao, Z.M.; Hernández-Nieves, A.D.; Peeters, F.M.; Li, S.
  Title (up) 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 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 De Wael, K.; Verstraete, A.; van Vlierberghe, S.; Dejonghe, W.; Dubruel, P.; Adriaens, A.
  Title (up) The electrochemistry of a gelatin modified gold electrode Type A1 Journal article
  Year 2011 Publication International journal of electrochemical science Abbreviated Journal Int J Electrochem Sc
  Volume 6 Issue 6 Pages 1810-1819
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract This paper discusses the electrochemical behaviour of gelatin coated gold electrodes in physiological pH conditions in a potential window −1.5 till 1.0 V vs SCE by performing cyclic voltammetry. A comparison is made between gelatin A and gelatin B, which have respectively a positive and a negative net charge at physiological pH. The deposition of gelatin onto the gold surface is confirmed by means of attenuated total reflection-infrared (ATR-IR) spectroscopic analyses.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1452-3981 ISBN Additional Links UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
  Impact Factor 1.469 Times cited Open Access
  Notes ; The authors would like to acknowledge the Flemish Institute for Technological Research (VITO, Belgium) and the Research Foundation-Flanders (FWO, Belgium) for the Ph.D. funding granted to Annelies Verstraete. Karolien De Wael and Sandra Van Vlierberghe are also grateful to the Research Foundation-Flanders (FWO, Belgium) for their postdoctoral fellowship. ; Approved Most recent IF: 1.469; 2011 IF: 3.729
  Call Number UA @ admin @ c:irua:89617 Serial 5598
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Author Van Tendeloo, G.; Garlea, O.; Darie, C.; Bougerol-Chaillout, C.; Bordet, P.
  Title (up) The fine structure of YCuO2+x delafossite determined by synchrotron powder diffraction and electron microscopy Type A1 Journal article
  Year 2001 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume 156 Issue 2 Pages 428-436
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract YCuO2 delafossite crystallizes into two stacking variants; hexagonal 2H or rhombohedral 3R, depending on the preparation conditions. The structure of the fully oxygenated material YCuO2.50 has been determined as orthorhombic (a(O) = 6.1961 Angstrom; b(O) = 11.2158 Angstrom; c(O) = 7.1505 Angstrom; space group Pnma). The structure is based on the hexagonal 2H structure (a(O) = a(H)root3; b(O) = c(H); c(O) = 2a(H)). Upon incomplete oxidation, a different YCuOZ phase with ideal composition YCuO2.33 and lattice parameters a(H root)3, a(H)root3, c(H) is also formed. Diffraction patterns are often very complex because of the presence of planar defects and intergrowth of both phases. Under electron beam irradiation, oxygen is released from the structure and one phase gradually transforms into the other. (C) 2001 Academic Press.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000167252000025 Publication Date 2002-09-18
  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 33 Open Access
  Notes Approved Most recent IF: 2.299; 2001 IF: 1.614
  Call Number UA @ lucian @ c:irua:103425 Serial 3581
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Author Dabaghmanesh, S.; Neek-Amal, M.; Partoens, B.; Neyts, E.C.
  Title (up) The formation of Cr2O3 nanoclusters over graphene sheet and carbon nanotubes Type A1 Journal article
  Year 2017 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 687 Issue Pages 188-193
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000412453700030 Publication Date 2017-09-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0009-2614 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.815 Times cited 2 Open Access Not_Open_Access: Available from 01.11.2019
  Notes ; This work was supported by SIM vzw, Technologiepark 935, BE-9052 Zwijnaarde, Belgium, within the InterPoCo project of the H-INT-S horizontal program. The computational resources and services used in this work were provided by the Vlaams Supercomputer Centrum (VSC) and the HPC infrastructure of the University of Antwerp. ; Approved Most recent IF: 1.815
  Call Number UA @ lucian @ c:irua:146646 Serial 4795
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Author King, G.; Abakumov, A.M.; Woodward, P.M.; Llobet, A.; Tsirlin, A.A.; Batuk, D.; Antipov, E.V.
  Title (up) The high-temperature polymorphs of K3AlF6 Type A1 Journal article
  Year 2011 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
  Volume 50 Issue 16 Pages 7792-7801
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The crystal structures of the three high-temperature polymorphs of K3AlF6 have been solved from neutron powder diffraction, synchrotron X-ray powder diffraction, and electron diffraction data. The β-phase (stable between 132 and 153 °C) and γ-phase (stable between 153 to 306 °C) can be described as unusually complex superstructures of the double-perovskite structure (K2KAlF6) which result from noncooperative tilting of the AlF6 octahedra. The β-phase is tetragonal, space group I4/m, with lattice parameters of a = 13.3862(5) Å and c = 8.5617(3) Å (at 143 °C) and Z = 10. In this phase, one-fifth of the AlF6 octahedra are rotated about the c-axis by 45° while the other four-fifths remain untilted. The large 45° rotations result in edge sharing between these AlF6 octahedra and the neighboring K-centered polyhedra, resulting in pentagonal bipyramidal coordination for four-fifths of the K+ ions that reside on the B-sites of the perovskite structure. The remaining one-fifth of the K+ ions on the B-sites retain octahedral coordination. The γ-phase is orthorhombic, space group Fddd, with lattice parameters of a = 36.1276(4) Å, b = 17.1133(2) Å, and c = 12.0562(1) Å (at 225 °C) and Z = 48. In the γ-phase, one-sixth of the AlF6 octahedra are randomly rotated about one of two directions by 45° while the other five-sixths remain essentially untilted. These rotations result in two-thirds of the K+ ions on the B-site obtaining 7-fold coordination while the other one-third remain in octahedral coordination. The δ-phase adopts the ideal cubic double-perovskite structure, space group Fmm, with a = 8.5943(1) Å at 400 °C. However, pair distribution function analysis shows that locally the δ-phase is quite different from its long-range average crystal structure. The AlF6 octahedra undergo large-amplitude rotations which are accompanied by off-center displacements of the K+ ions that occupy the 12-coordinate A-sites.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Easton, Pa Editor
  Language Wos 000293493100052 Publication Date 2011-07-11
  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 19 Open Access
  Notes Approved Most recent IF: 4.857; 2011 IF: 4.601
  Call Number UA @ lucian @ c:irua:91131 Serial 1468
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Author Loreto, S.; Vanrompay, H.; Mertens, M.; Bals, S.; Meynen, V.
  Title (up) The influence of acids on tuning the pore size of mesoporous TiO2 templated by non-ionic block copolymers Type A1 Journal article
  Year 2018 Publication European journal of inorganic chemistry Abbreviated Journal Eur J Inorg Chem
  Volume 2018 Issue 2018 Pages 62-65
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
  Abstract <script type='text/javascript'>document.write(unpmarked('We show the possibility to tune the pore size of mesoporous TiO2 templated by non-ionic block copolymers by adding different inorganic acids at well-chosen concentration. The effect of the inorganic anions on both the TiO2 cluster formation and the non-ionic block copolymers micelles is investigated to explain the experimental results.'));
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000419706000008 Publication Date 2017-12-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1434-1948 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.444 Times cited 6 Open Access OpenAccess
  Notes ; This work was supported by the Research Foundation-Flanders (FWO) (grant G.0687.13) and the University of Antwerp (BOF project). Hans Vanrompay gratefully acknowledges financial support by the Flemish Fund for Scientific Research (FWO grant 1S32617N). Sara Bals acknowledges financial support from European Research Council (ERC Starting Grant #335078-COLOURATOMS). ; ecas_Sara Approved Most recent IF: 2.444
  Call Number UA @ lucian @ c:irua:147897UA @ admin @ c:irua:147897 Serial 4881
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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.
  Title (up) 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 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
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Author Liu, S.; Cool, P.; Collart, O.; van der Voort, P.; Vansant, E.F.; Lebedev, O.I.; Van Tendeloo, G.; Jiang, M.
  Title (up) The influence of the alcohol concentration on the structural ordering of mesoporous silica: cosurfactant versus cosolvent Type A1 Journal article
  Year 2003 Publication The journal of physical chemistry : B : condensed matter, materials, surfaces, interfaces and biophysical Abbreviated Journal J Phys Chem B
  Volume 107 Issue Pages 10405-10411
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000185401900013 Publication Date 2003-09-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1520-6106;1520-5207; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.177 Times cited 134 Open Access
  Notes Approved Most recent IF: 3.177; 2003 IF: 3.679
  Call Number UA @ lucian @ c:irua:46264 Serial 1643
Permanent link to this record
 
 
Author Battle, P.D.; Avdeev, M.; Hadermann, J.
  Title (up) The interplay of microstructure and magnetism in La3Ni2SbO9 Type A1 Journal article
  Year 2014 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume 220 Issue Pages 163-166
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract La3Ni2SbO9 adopts a perovskite-related structure in which the six-coordinate cation sites are occupied alternately by Ni2+ and a disordered arrangement of Ni2+/Sb5+. A polycrystalline sample has been studied by neutron diffraction in applied magnetic fields of 0 <= H/kOe <= 50 at 5 K. In 0 kOe, weak magnetic Bragg scattering consistent with the adoption of a G-type ferrimagnetic structure is observed; the ordered component of the magnetic moment was found to be 0.89(7) mu(B) per Ni2+ cation. This increased to 1.60(3) mu(B) in a field of 50 kOe. Transmission electron microscopy revealed variations in the Ni:Sb ratio across crystallites of the sample. It is proposed that these composition variations disrupt the magnetic superexchange interactions within the compound, leading to domain formation and a reduced average moment. The application of a magnetic field aligns the magnetisation vectors across the crystal and the average moment measured by neutron diffraction increases accordingly. The role played by variations in the local chemical composition in determining the magnetic properties invites comparison with the behaviour of relaxor ferroelectrics. (C) 2014 Elsevier Inc. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000343346100024 Publication Date 2014-09-01
  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 13 Open Access
  Notes Approved Most recent IF: 2.299; 2014 IF: 2.133
  Call Number UA @ lucian @ c:irua:121134 Serial 3588
Permanent link to this record
 
 
Author Jacquet, Q.; Perez, A.; Batuk, D.; Van Tendeloo, G.; Rousse, G.; Tarascon, J.-M.
  Title (up) The Li3RuyNb1-yO4 (0 ≤y≤ 1) System: Structural Diversity and Li Insertion and Extraction Capabilities Type A1 Journal article
  Year 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 29 Issue 12 Pages 5331-5343
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Searching for novel high-capacity electrode materials combining cationic and anionic redox processes is an ever-growing activity within the field of Li-ion batteries. In this respect, we report on the exploration of the Li3RuyNb1-yO4 (O <= y <= 1) system with an O/M ratio of 4 to maximize the number of oxygen lone pairs, responsible for the anionic redox. We show that this system presents a very rich crystal chemistry with the existence of four structural types, which derive from the rocksalt structure but differ in their cationic arrangement, creating either zigzag, helical, jagged chains or clusters. From an electrochemical standpoint, these compounds are active on reduction via a classical cationic insertion process. The oxidation process is more complex, because of the instability of the delithiated phase. Our results promote the use of the rich Li3MO4 family as a viable platform for a better understanding of the relationships between structure and anionic redox activity.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000404493100036 Publication Date 2017-06-27
  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 17 Open Access Not_Open_Access
  Notes The authors thank Paul Pearce, Alexis Grimaud, Matthieu Saubanere, and Marie-Liesse Doublet for fruitful discussions, Vivian Nassif for her help in neutron diffraction experiment at the D1B diffractometer at ILL, and Dominique Foix for XPS analysis. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. Q.J. thanks the ANR “Deli-Redox” for Ph.D. funding. J.-M.T. and D.B. acknowledge funding from the European Research Council (ERC) (FP/2014)/ERC Grant -Project 670116-ARPEMA. Approved Most recent IF: 9.466
  Call Number EMAT @ emat @c:irua:147506 Serial 4776
Permanent link to this record
 
 
Author Bezjak, J.; Abakumov, A.M.; Recnik, A.; Krzmanc, M.M.; Jancar, B.; Suvorov, D.
  Title (up) The local structure and composition of Ba4Nb2O9-based oxycarbonates Type A1 Journal article
  Year 2010 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume 183 Issue 8 Pages 1823-1828
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract X-ray powder-diffraction(XRD),high-resolutiontransmissionelectronmicroscopy(HRTEM),electron diffraction(ED),infraredspectroscopy(IR),thermogravimetry(TG)andmassspectroscopy(MS)were performedtoinvestigatethecompositionandthecrystalstructureoftetra-bariumdi-niobate(V) Ba4Nb2O9. TheTG,MSandIRstudiesrevealedthatthecompoundisahydratedoxycarbonate.Assuming that thecarbonatestoichiometricallyreplacesoxygen,thecompositionofthelow-temperature a-modification,obtainedbyslowcoolingfrom1100 1C, correspondstoBa4Nb2O8.8(CO3)0.2 0.1H2O, while thequenchedhigh-temperature g-modificationhastheBa4Nb2O8.42(CO3)0.58 0.38H2O composi- tion. The a-phase hasacompositeincommensuratelymodulatedstructureconsistingoftwomutually interacting[Ba]N and the[(Nb,)O3]N subsystems.Thecompositemodulatedcrystalstructureofthe a-phase canbedescribedwiththelatticeparameters a¼10.2688(1) A˚ , c¼2.82426(8) A˚ , q¼0.66774(2)c* and asuperspacegroup R3m(00g)0s. TheHRTEManalysisdemonstratesthenanoscale twinningofthetrigonaldomainsparalleltothe{100}crystallographicplanes.Thetwinningintroduces a one-dimensionaldisorderintothe[(Nb,)O3]N subsystem,whichresultsinanaverage P62c crystal structureofthe a-phase. Possibleplacesforthecarbonategroupinthestructurearediscussedusinga comparisonwithotherhexagonalperovskite-basedoxycarbonates.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000280620300013 Publication Date 2010-06-14
  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 10 Open Access
  Notes Approved Most recent IF: 2.299; 2010 IF: 2.261
  Call Number UA @ lucian @ c:irua:84046 Serial 1830
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Author Liu, Y.; Norén, L.; Withers, R.L.; Hadermann, J.; Van Tendeloo, G.; Garcia-Garcia, J.
  Title (up) The metastable Ni7\pm xS6 and mixed Ni6\pm x(S1-ySey)5 phases Type A1 Journal article
  Year 2003 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume 170 Issue Pages 351-360
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000181875200019 Publication Date 2003-06-02
  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 5 Open Access
  Notes Approved Most recent IF: 2.299; 2003 IF: 1.413
  Call Number UA @ lucian @ c:irua:42054 Serial 2015
Permanent link to this record
 
 
Author van Heurck, C.; Van Tendeloo, G.; Amelinckx, S.
  Title (up) The modulated structure in the melilite CA2ZnGe2O7 Type A1 Journal article
  Year 1992 Publication Physics and chemistry of minerals Abbreviated Journal Phys Chem Miner
  Volume 8 Issue Pages 441-452
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Berlin Editor
  Language Wos A1992HM23200005 Publication Date 2004-08-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0342-1791;1432-2021; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.538 Times cited 19 Open Access
  Notes Approved CHEMISTRY, PHYSICAL 54/144 Q2 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 9/35 Q2 #
  Call Number UA @ lucian @ c:irua:4438 Serial 2164
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Author Milat, O.; Van Tendeloo, G.; Amelinckx, S.; Babu, T.G.N.; Greaves, C.
  Title (up) The modulated structure of Ca.85CuO2 as studied by means of electron diffraction Type A1 Journal article
  Year 1992 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume 97 Issue Pages 405-418
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos A1992HL68700019 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 15 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:4439 Serial 2165
Permanent link to this record
 
 
Author Milat, O.; Van Tendeloo, G.; Amelinckx, S.; Babu, T.G.N.; Greaves, C.
  Title (up) The modulated structure of Ca.85CuO2 as studied by means of electron diffraction and microscopy Type A1 Journal article
  Year 1992 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume 97 Issue 2 Pages 405-418
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos A1992HL68700019 Publication Date 2003-12-12
  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 15 Open Access
  Notes Approved PHYSICS, APPLIED 47/145 Q2 #
  Call Number UA @ lucian @ c:irua:103042 Serial 3590
Permanent link to this record
 
 
Author Amini, M.N.; Dixit, H.; Saniz, R.; Lamoen, D.; Partoens, B.
  Title (up) The origin of p-type conductivity in ZnM2O4 (M = Co, Rh, Ir) spinels Type A1 Journal article
  Year 2014 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
  Volume 16 Issue 6 Pages 2588-2596
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
  Abstract ZnM2O4 (M = Co, Rh, Ir) spinels are considered as a class of potential p-type transparent conducting oxides (TCOs). We report the formation energy of acceptor-like defects using first principles calculations with an advanced hybrid exchange-correlation functional (HSE06) within density functional theory (DFT). Due to the discrepancies between the theoretically obtained band gaps with this hybrid functional and the – scattered – experimental results, we also perform GW calculations to support the validity of the description of these spinels with the HSE06 functional. The considered defects are the cation vacancy and antisite defects, which are supposed to be the leading source of disorder in the spinel structures. We also discuss the band alignments in these spinels. The calculated formation energies indicate that the antisite defects ZnM (Zn replacing M, M = Co, Rh, Ir) and VZn act as shallow acceptors in ZnCo2O4, ZnRh2O4 and ZnIr2O4, which explains the experimentally observed p-type conductivity in those systems. Moreover, our systematic study indicates that the ZnIr antisite defect has the lowest formation energy in the group and it corroborates the highest p-type conductivity reported for ZnIr2O4 among the group of ZnM2O4 spinels. To gain further insight into factors affecting the p-type conductivity, we have also investigated the formation of localized small polarons by calculating the self-trapping energy of the holes.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000329926700040 Publication Date 2013-12-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9076;1463-9084; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.123 Times cited 47 Open Access
  Notes Fwo; Goa; Hercules Approved Most recent IF: 4.123; 2014 IF: 4.493
  Call Number UA @ lucian @ c:irua:114829 Serial 2525
Permanent link to this record
 
 
Author Snoeckx, R.; Ozkan, A.; Reniers, F.; Bogaerts, A.
  Title (up) The Quest for Value-Added Products from Carbon Dioxide and Water in a Dielectric Barrier Discharge: A Chemical Kinetics Study Type A1 Journal article
  Year 2017 Publication Chemsuschem Abbreviated Journal Chemsuschem
  Volume 10 Issue 10 Pages 409-424
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Recycling of carbon dioxide by its conversion into value-added products has gained significant interest owing to the role it can play for use in an anthropogenic carbon cycle. The combined conversion with H2O could even mimic the natural photosynthesis process. An interesting gas conversion technique currently being considered in the field of CO2 conversion is plasma technology. To investigate whether it is also promising for this combined conversion, we performed a series of experiments and developed a chemical kinetics plasma chemistry model for a deeper understanding of the process. The main products formed were the syngas components CO and H2, as well as O2 and H2O2, whereas methanol formation was only observed in the parts-per-billion to parts-per-million range. The syngas ratio, on the other hand, could easily be controlled by varying both the water content and/or energy input. On the basis of the model, which was validated with experimental results, a chemical kinetics analysis was performed, which allowed the construction and investigation of the different pathways leading to the observed experimental results and which helped to clarify these results. This approach allowed us to evaluate this technology on the basis of its underlying chemistry and to propose solutions on how to further improve the formation of value-added products by using plasma technology.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000394571900012 Publication Date 2016-11-25
  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 25 Open Access OpenAccess
  Notes The authors acknowledge financial support from the Inter-university Attraction Pole (IAP; grant number IAP-VII/12, P7/34) program “PSI-Physical Chemistry of Plasma-Surface Interactions”, financially supported by the Belgian Federal Office for Science Policy (BELSPO), as well as the Fund for Scientific Research Flanders (FWO; grant number G.0066.12N). This work was performed in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. We also would like to thank the financial support given by “Fonds David et Alice Van Buuren”. Finally, we are very grateful to M. Kushner for providing the Global kin code, to T. Dufour for his support during the experiments, and to R. Aerts for his support during the model development. Approved Most recent IF: 7.226
  Call Number PLASMANT @ plasmant @ c:irua:139880 Serial 4412
Permanent link to this record
 
 
Author Norén, L.; Van Tendeloo, G.; Withers, R.L.
  Title (up) The real (incommensurate interface modulated) structure of Ni6\pm xSe5 Type A1 Journal article
  Year 2001 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume 162 Issue 1 Pages 122-127
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000172586400016 Publication Date 2002-09-18
  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 4 Open Access
  Notes Approved Most recent IF: 2.299; 2001 IF: 1.614
  Call Number UA @ lucian @ c:irua:54709 Serial 2826
Permanent link to this record
 
 
Author Lisiecki, I.; Turner, S.; Bals, S.; Pileni, M.P.; Van Tendeloo, G.
  Title (up) The remarkable and intriguing resistance to oxidation of 2D ordered hcp Co nanocrystals: a new intrinsic property Type A1 Journal article
  Year 2009 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 21 Issue 12 Pages 2335-2338
  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 000267049200001 Publication Date 2009-05-14
  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 28 Open Access
  Notes Iap-Vi; Esteem 026019 Approved Most recent IF: 9.466; 2009 IF: 5.368
  Call Number UA @ lucian @ c:irua:77887 Serial 2867
Permanent link to this record
 
 
Author Filez, M.; Redekop, E.A.; Galvita, V.V.; Poelman, H.; Meledina, M.; Turner, S.; Van Tendeloo, G.; Bell, A.T.; Marin, G.B.
  Title (up) The role of hydrogen during Pt-Ga nanocatalyst formation Type A1 Journal article
  Year 2016 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
  Volume 18 Issue 18 Pages 3234-3243
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Hydrogen plays an essential role during the in situ assembly of tailored catalytic materials, and serves as key ingredient in multifarious chemical reactions promoted by these catalysts. Despite intensive debate for several decades, the existence and nature of hydrogen-involved mechanisms – such as hydrogen-spillover, surface migration – have not been unambiguously proven and elucidated up to date. Here, Pt-Ga alloy formation is used as a probe reaction to study the behavior and atomic transport of H and Ga, starting from Pt nanoparticles on hydrotalcite-derived Mg(Ga)(Al)Ox supports. In situ XANES spectroscopy, time-resolved TAP kinetic experiments, HAADF-STEM imaging and EDX mapping are combined to probe Pt, Ga and H in a series of H2 reduction experiments up to 650 degrees C. Mg(Ga)(Al)Ox by itself dissociates hydrogen, but these dissociated hydrogen species do not induce significant reduction of Ga3+ cations in the support. Only in the presence of Pt, partial reduction of Ga3+ into Gadelta+ is observed, suggesting that different reaction mechanisms dominate for Pt- and Mg(Ga)(Al)Ox-dissociated hydrogen species. This partial reduction of Ga3+ is made possible by Pt-dissociated H species which spillover onto non-reducible Mg(Al)Ox or partially reducible Mg(Ga)(Al)Ox and undergo long-range transport over the support surface. Moderately mobile Gadelta+Ox migrates towards Pt clusters, where Gadelta+ is only fully reduced to Ga0 on condition of immediate stabilization inside Pt-Ga alloyed nanoparticles.
  Address Laboratory for Chemical Technology (LCT), Ghent University, Technologiepark 914, B-9052 Ghent, Belgium. hilde.poelman@ugent.be
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language English Wos 000369506000106 Publication Date 2016-01-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9076 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.123 Times cited 10 Open Access
  Notes This work was supported by the Fund for Scientific Research Flanders (FWO: G.0209.11), the ‘Long Term Structural Methusalem Funding by the Flemish Government’, the IAP 7/05 Interuniversity Attraction Poles Programme – Belgian State – Belgian Science Policy, and the Fund for Scientific Research Flanders (FWO-Vlaanderen) in supplying financing of beam time at the DUBBLE beam line of the ESRF and travel costs and a postdoctoral fellowship for S.T. The authors acknowledge the assistance from D. Banerjee (XAS campaign 26-01-979) at DUBBLE. E. A. Redekop acknowledges the Marie Curie International Incoming Fellowship granted by the European Commission (Grant Agreement No. 301703). The authors also express their gratitude to V. Bliznuk for acquisition of the TEM images. Approved Most recent IF: 4.123
  Call Number c:irua:132315 Serial 4000
Permanent link to this record
 
 
Author Neyts, E.C.
  Title (up) The role of ions in plasma catalytic carbon nanotube growth : a review Type A1 Journal article
  Year 2015 Publication Frontiers of Chemical Science and Engineering Abbreviated Journal Front Chem Sci Eng
  Volume 9 Issue 9 Pages 154-162
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract While it is well-known that the plasma-enhanced catalytic chemical vapor deposition (PECVD) of carbon nanotubes (CNTs) offers a number of advantages over thermal CVD, the influence of the various individual contributing factors is not well understood. Especially the role of ions is unclear, since ions in plasmas are generally associated with sputtering rather than with growing a material. Even so, various studies have demonstrated the beneficial effects of ion bombardment during the growth of CNTs. This review looks at the role of the ions in plasma-enhanced CNT growth as deduced from both experimental and simulation studies. Specific attention is paid to the beneficial effects of ion bombardment. Based on the available literature, it can be concluded that ions can be either beneficial or detrimental for carbon nanotube growth, depending on the exact conditions and the control over the growth process.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000360319600003 Publication Date 2015-06-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2095-0179 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.712 Times cited 8 Open Access
  Notes Approved Most recent IF: 1.712; 2015 IF: NA
  Call Number UA @ lucian @ c:irua:127815 Serial 4239
Permanent link to this record
 
 
Author Ustarroz, J.; Altantzis, T.; Hammons, J.A.; Hubin, A.; Bals, S.; Terryn, H.
  Title (up) The role of nanocluster aggregation, coalescence, and recrystallization in the electrochemical deposition of platinum nanostructures Type A1 Journal article
  Year 2014 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 26 Issue 7 Pages 2396-2406
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract By using an optimized characterization approach that combines aberration-corrected transmission electron microscopy, electron tomography, and in situ ultrasmall angle X-ray scattering (USAXS), we show that the early stages of Pt electrochemical growth on carbon substrates may be affected by the aggregation, self-alignment, and partial coalescence of nanoclusters of d ≈ 2 nm. The morphology of the resulting nanostructures depends on the degree of coalescence and recrystallization of nanocluster aggregates, which in turn depends on the electrodeposition potential. At low overpotentials, a self-limiting growth mechanism may block the epitaxial growth of primary nanoclusters and results in loose dendritic aggregates. At more negative potentials, the extent of nanocluster coalescence and recrystallization is larger and further growth by atomic incorporation may be allowed. On one hand, this suggests a revision of the VolmerWeber island growth mechanism. Whereas this theory has traditionally assumed direct attachment as the only growth mechanism, it is suggested that nanocluster self-limiting growth, aggregation, and coalescence should also be taken into account during the early stages of nanoscale electrodeposition. On the other hand, depending on the deposition potential, ultrahigh porosities can be achieved, turning electrodeposition in an ideal process for highly active electrocatalyst production without the need of using high surface area carbon supports.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000334572300026 Publication Date 2014-03-10
  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 55 Open Access Not_Open_Access
  Notes FWO; contract no. FWOAL527 Approved Most recent IF: 9.466; 2014 IF: 8.354
  Call Number UA @ lucian @ c:irua:116956 Serial 2916
Permanent link to this record
 
 
Author Felten, A.; Suarez-Martinez, I.; Ke, X.; Van Tendeloo, G.; Ghijsen, J.; Pireaux, J.-J.; Drube, W.; Bittencourt, C.; Ewels, C.P.
  Title (up) The role of oxygen at the interface between titanium and carbon nanotubes Type A1 Journal article
  Year 2009 Publication ChemPhysChem : a European journal of chemical physics and physical chemistry Abbreviated Journal Chemphyschem
  Volume 10 Issue 11 Pages 1799-1804
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract We study the interface between carbon nanotubes (CNTs) and surface-deposited titanium using electron microscopy and photoemission spectroscopy, supported by density functional calculations. Charge transfer from the Ti atoms to the nanotube and carbide formation is observed at the interface which indicates strong interaction. Nevertheless, the presence of oxygen between the Ti and the CNTs significantly weakens the Ti-CNT interaction. Ti atoms at the surface will preferentially bond to oxygenated sites. Potential sources of oxygen impurities are examined, namely oxygen from any residual atmosphere and pre-existing oxygen impurities on the nanotube surface, which we enhance through oxygen plasma surface pre-treatment. Variation in literature data concerning Ohmic contacts between Ti and carbon nanotubes is explained via sample pre-treatment and differing vacuum levels, and we suggest improved treatment routes for reliable Schottky barrier-free Ti-nanotube contact formation.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000268817800015 Publication Date 2009-05-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1439-4235;1439-7641; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.075 Times cited 38 Open Access
  Notes Pai Approved Most recent IF: 3.075; 2009 IF: 3.453
  Call Number UA @ lucian @ c:irua:77939 Serial 2918
Permanent link to this record
 
 
Author Amini, M.N.; Saniz, R.; Lamoen, D.; Partoens, B.
  Title (up) The role of the VZn-NO-H complex in the p-type conductivity in ZnO Type A1 Journal article
  Year 2015 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
  Volume 17 Issue 17 Pages 5485-5489
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
  Abstract Past research efforts aiming at obtaining stable p-type ZnO have been based on complexes involving nitrogen doping. A recent experiment by (J. G. Reynolds et al., Appl. Phys. Lett., 2013, 102, 152114) demonstrated a significant ([similar]1018 cm−3) p-type behavior in N-doped ZnO films after appropriate annealing. The p-type conductivity was attributed to a VZnNOH shallow acceptor complex, formed by a Zn vacancy (VZn), N substituting O (NO), and H interstitial (Hi). We present here a first-principles hybrid functional study of this complex compared to the one without hydrogen. Our results confirm that the VZnNOH complex acts as an acceptor in ZnO. We find that H plays an important role, because it lowers the formation energy of the complex with respect to VZnNO, a complex known to exhibit (unstable) p-type behavior. However, this additional H atom also occupies the hole level at the origin of the shallow behavior of VZnNO, leaving only two states empty higher in the band gap and making the VZnNOH complex a deep acceptor. Therefore, we conclude that the cause of the observed p-type conductivity in experiment is not the presence of the VZnNOH complex, but probably the formation of the VZnNO complex during the annealing process.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000349616400080 Publication Date 2015-01-20
  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 20 Open Access
  Notes FWO G021614N; FWO G015013; FWO G018914N; GOA; Hercules Approved Most recent IF: 4.123; 2015 IF: 4.493
  Call Number c:irua:123218 Serial 3592
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R.
  Title (up) The rotational partition function of the symmetric top and the effect of K doubling thereon Type A1 Journal article
  Year 1991 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 187 Issue Pages 375-386
  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 A1991GX46000006 Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0009-2614 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.897 Times cited 6 Open Access
  Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 38/271 Q1 # METALLURGY & METALLURGICAL ENGINEERING 2/73 Q1 #
  Call Number UA @ lucian @ c:irua:713 Serial 2931
Permanent link to this record
 
 
Author Dombrovski, E.N.; Serov, T.V.; Abakumov, A.M.; Ardashnikova, E.I.; Dolgikh, V.A.; Van Tendeloo, G.
  Title (up) 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 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 Verheijen, M.A.; Meekes, H.; Meijer, G.; Bennema, P.; de Boer, J.L.; van Smaalen, S.; Van Tendeloo, G.; Amelinckx, S.; Muto, S.; van Landuyt, J.
  Title (up) The structure of different phases of pure C70 crystals Type A1 Journal article
  Year 1992 Publication Chemical physics Abbreviated Journal Chem Phys
  Volume 166 Issue Pages 287-297
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos A1992JQ46300026 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 168 Open Access
  Notes Approved PHYSICS, APPLIED 28/145 Q1 #
  Call Number UA @ lucian @ c:irua:4104 Serial 3309
Permanent link to this record
 
 
Author Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R.
  Title (up) The structure, energetics, and harmonic vibrations of B3N Type A1 Journal article
  Year 1993 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 201 Issue Pages 54-58
  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 A1993KF37900010 Publication Date 2002-07-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.897 Times cited 20 Open Access
  Notes Approved PHYSICS, APPLIED 28/145 Q1 #
  Call Number UA @ lucian @ c:irua:6145 Serial 3302
Permanent link to this record
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