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Author (up) Snoeckx, R.; Aerts, R.; Tu, X.; Bogaerts, A.
  Title Plasma-based dry reforming : a computational study ranging from the nanoseconds to seconds time scale Type A1 Journal article
  Year 2013 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 117 Issue 10 Pages 4957-4970
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract We present a computational study for the conversion of CH4 and CO2 into value-added chemicals, i.e., the so-called dry reforming of methane, in a dielectric barrier discharge reactor. A zero-dimensional chemical kinetics model is applied to study the plasma chemistry in a 1:1 CH4/CO2 mixture. The calculations are first performed for one microdischarge pulse and its afterglow, to study in detail the chemical pathways of the conversion. Subsequently, long time-scale simulations are carried out, corresponding to real residence times in the plasma, assuming a large number of consecutive microdischarge pulses, to mimic the conditions of the filamentary discharge regime in a dielectric barrier discharge (DBD) reactor. The conversion of CH4 and CO2 as well as the selectivity of the formed products and the energy cost and energy efficiency of the process are calculated and compared to experiments for a range of different powers and gas flows, and reasonable agreement is reached.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000316308400010 Publication Date 2013-02-18
  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 118 Open Access
  Notes Approved Most recent IF: 4.536; 2013 IF: 4.835
  Call Number UA @ lucian @ c:irua:106516 Serial 2628
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Author (up) Snoeckx, R.; Bogaerts, A.
  Title Plasma technology – a novel solution for CO2conversion? Type A1 Journal article
  Year 2017 Publication Chemical Society reviews Abbreviated Journal Chem Soc Rev
  Volume 46 Issue 19 Pages 5805-5863
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract CO2 conversion into value-added chemicals and fuels is considered as one of the great challenges of the 21st century. Due to the limitations of the traditional thermal approaches, several novel technologies are being developed. One promising approach in this field, which has received little attention to date, is plasma

technology. Its advantages include mild operating conditions, easy upscaling, and gas activation by energetic electrons instead of heat. This allows thermodynamically difficult reactions, such as CO2 splitting and the dry reformation of methane, to occur with reasonable energy cost. In this review, after exploring the traditional thermal approaches, we have provided a brief overview of the fierce competition between various novel approaches in a quest to find the most effective and efficient CO2 conversion technology. This is needed to critically assess whether plasma technology can be successful in an already crowded arena. The following questions need to be answered in this regard: are there key advantages to using plasma technology over other novel approaches, and if so, what is the flip side to the use of this technology? Can plasma technology be successful on its own, or can synergies be achieved by combining it with other technologies? To answer

these specific questions and to evaluate the potentials and limitations of plasma technology in general, this review presents the current state-of-the-art and a critical assessment of plasma-based CO2 conversion, as well as the future challenges for its practical implementation.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000412141600006 Publication Date 2017-08-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0306-0012 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 38.618 Times cited 168 Open Access OpenAccess
  Notes We would like to thank W. Wang (University of Antwerp) for providing the data on the thermal equilibrium conversions. Furthermore, we acknowledge financial support from the IAP/7 (Inter-university Attraction Pole) programme ‘PSI-Physical Chemistry of Plasma-Surface Interactions’ by the Belgian Federal Office for Science Policy (BELSPO), the Methusalem financing of the University of Antwerp, the Fund for Scientific Research Flanders (FWO; Grant no. G.0383.16N, G.0254.14N and G.0217.14N), the TOP research project of the Research Fund of the University of Antwerp (grant ID. 32249). Approved Most recent IF: 38.618
  Call Number PLASMANT @ plasmant @c:irua:145921 Serial 4709
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Author (up) Snoeckx, R.; Ozkan, A.; Reniers, F.; Bogaerts, A.
  Title 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
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Author (up) Soldatov, A.V.; Lamoen, D.; Konstantinović, M.J.; van den Berghe, S.; Scheinost, A.C.; Verwerft, M.
  Title Local structure and oxidation state of uranium in some ternary oxides: X-ray absorption analysis Type A1 Journal article
  Year 2007 Publication Journal Of Solid State Chemistry Abbreviated Journal J Solid State Chem
  Volume 180 Issue 1 Pages 54-61
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000243951900008 Publication Date 2006-09-19
  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 60 Open Access
  Notes Approved Most recent IF: 2.299; 2007 IF: 2.149
  Call Number UA @ lucian @ c:irua:61579 Serial 1831
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Author (up) Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C.
  Title Plasma species interacting with nickel surfaces : toward an atomic scale understanding of plasma-catalysis Type A1 Journal article
  Year 2012 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 116 Issue 39 Pages 20958-20965
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The adsorption probability and reaction behavior of CHx plasma species on various nickel catalyst surfaces is investigated by means of reactive molecular dynamics (MD) simulations using the ReaxFF potential. Such catalysts are used in the reforming of hydrocarbons and in the growth of carbon nanotubes, and further insight in the underlying mechanisms of these processes is needed to increase their applicability. Single and consecutive impacts of CHx radicals (x={1,2,3}) were performed on four different Ni surfaces, at a temperature of 400 K. The adsorption probability is shown to be related to the number of free electrons, i.e. a higher number leads to more adsorptions, and the steric hindrance caused by the hydrogen atoms bonded to the impacting CHx species. Furthermore, some of the CH bonds break after adsorption, which generally leads to diffusion of the hydrogen atom over the surface. Additionally, these adsorbed H-atoms can be used in reactions to form new molecules, such as CH4 and C2Hx, although this is dependent on the precise morphology of the surface. New molecules are also formed by subtraction of H-atoms from adsorbed radicals, leading to occasional formation of H2 and C2Hx molecules.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000309375700040 Publication Date 2012-09-10
  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 37 Open Access
  Notes Approved Most recent IF: 4.536; 2012 IF: 4.814
  Call Number UA @ lucian @ c:irua:101522 Serial 2640
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Author (up) Sóti, V.; Jacquet, N.; Apers, S.; Richel, A.; Lenaerts, S.; Cornet, I.
  Title Monitoring the laccase reaction of vanillin and poplar hydrolysate Type A1 Journal article
  Year 2016 Publication Journal of chemical technology and biotechnology Abbreviated Journal J Chem Technol Biot
  Volume 91 Issue 6 Pages 1914-1922
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Biochemical Wastewater Valorization & Engineering (BioWaVE)
  Abstract BACKGROUND Laccase is an intensively researched enzyme for industrial use. Except for decolorisation measurements, HPLC analysis is the conventional method for monitoring the phenolic removal during laccase enzyme reaction. This paper reports an investigation of the continuous UV absorbance follow-up of the laccase reaction with steam pretreated poplar hydrolysate. RESULTS Vanillin was used as a model substrate and lignocellulose xylose rich fraction (XRF) as a biologically complex substrate for laccase detoxification. The reaction was followed by HPLC-UV as well as by UV spectrometric measurements. Results suggest that the reaction can be successfully monitored by measuring the change of UV absorbance at 280 nm, without previous compound separation. In case of XRF experiments the spectrophotometric follow-up is especially useful, as HPLC analysis takes a long time and provides less information than in case of single substrates. The method seems to be suitable for optimization and process control. CONCLUSION The obtained results can help to construct a fast, easy and straightforward monitoring system for laccase-phenolic substrate reactions.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000375768300040 Publication Date 2015-07-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0268-2575; 1097-4660 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.135 Times cited 3 Open Access
  Notes ; This research is financed by the University of Antwerp (project number 15 FA100 002). ; Approved Most recent IF: 3.135
  Call Number UA @ admin @ c:irua:127694 Serial 5972
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Author (up) Sozen, Y.; Yagmurcukardes, M.; Sahin, H.
  Title Vibrational and optical identification of GeO₂ and GeO single layers : a first-principles study Type A1 Journal article
  Year 2021 Publication Physical Chemistry Chemical Physics Abbreviated Journal Phys Chem Chem Phys
  Volume 23 Issue 37 Pages 21307-21315
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract In the present work, the identification of two hexagonal phases of germanium oxides (namely GeO2 and GeO) through the vibrational and optical properties is reported using density functional theory calculations. While structural optimizations show that single-layer GeO2 and GeO crystallize in 1T and buckled phases, phonon band dispersions reveal the dynamical stability of each structure. First-order off-resonant Raman spectral predictions demonstrate that each free-standing single-layer possesses characteristic peaks that are representative for the identification of the germanium oxide phase. On the other hand, electronic band dispersion analysis shows the insulating and large-gap semiconducting nature of single-layer GeO2 and GeO, respectively. Moreover, optical absorption, reflectance, and transmittance spectra obtained by means of G(0)W(0)-BSE calculations reveal the existence of tightly bound excitons in each phase, displaying strong optical absorption. Furthermore, the excitonic gaps are found to be at deep UV and visible portions of the spectrum, for GeO2 and GeO crystals, with energies of 6.24 and 3.10 eV, respectively. In addition, at the prominent excitonic resonances, single-layers display high reflectivity with a zero transmittance, which is another indication of the strong light-matter interaction inside the crystal medium.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000697364300001 Publication Date 2021-09-02
  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 Open Access Not_Open_Access
  Notes Approved Most recent IF: 4.123
  Call Number UA @ admin @ c:irua:181571 Serial 7044
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Author (up) Spreitzer, M.; Egoavil, R.; Verbeeck, J.; Blank, D.H.A.; Rijnders, G.
  Title Pulsed laser deposition of SrTiO3 on a H-terminated Si substrate Type A1 Journal article
  Year 2013 Publication Journal of materials chemistry C : materials for optical and electronic devices Abbreviated Journal J Mater Chem C
  Volume 1 Issue 34 Pages 5216-5222
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Interfacing oxides with silicon is a long-standing problem related to the integration of multifunctional oxides with semiconductor devices and the replacement of SiO2 with high-k gate oxides. In our study, pulsed laser deposition was used to prepare a SrTiO3 (STO) thin film on a H-terminated Si substrate. The main purpose of our work was to verify the ability of H-termination against the oxidation of Si during the PLD process and to analyze the resulting interfaces. In the first part of the study, the STO was deposited directly on the Si, leading to the formation of a preferentially textured STO film with a (100) orientation. In the second part, SrO was used as a buffer layer, which enabled the partial epitaxial growth of STO with STO(110)parallel to Si(100) and STO[001]parallel to Si[001]. The change in the growth direction induced by the application of a SrO buffer was governed by the formation of a SrO(111) intermediate layer and subsequently by the minimization of the lattice misfit between the STO and the SrO. Under the investigated conditions, approximately 10 nm thick interfacial layers formed between the STO and the Si due to reactions between the deposited material and the underlying H-terminated Si. In the case of direct STO deposition, SiOx formed at the interface with the silicon, while in the case when SrO was used as a buffer, strontium silicate grew directly on the silicon, which improves the growth quality of the uppermost STO.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000322911900005 Publication Date 2013-07-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2050-7526;2050-7534; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.256 Times cited 23 Open Access
  Notes Ifox; Esteem2; Vortex; Countatoms; esteem2jra3 ECASJO; Approved Most recent IF: 5.256; 2013 IF: NA
  Call Number UA @ lucian @ c:irua:110798UA @ admin @ c:irua:110798 Serial 2739
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Author (up) Spreitzer, M.; Klement, D.; Egoavil, R.; Verbeeck, J.; Kovac, J.; Zaloznik, A.; Koster, G.; Van Tendeloo, G.; Suvorov, D.; Rijnders, G.
  Title Growth mechanism of epitaxial SrTiO3 on a (1 x 2) + (2 x 1) reconstructed Sr(1/2 ML)/Si(001) surface Type A1 Journal article
  Year 2020 Publication Journal Of Materials Chemistry C Abbreviated Journal J Mater Chem C
  Volume 8 Issue 2 Pages 518-527
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Sub-monolayer control over the growth at silicon-oxide interfaces is a prerequisite for epitaxial integration of complex oxides with the Si platform, enriching it with a variety of functionalities. However, the control over this integration is hindered by the intense reaction of the constituents. The most suitable buffer material for Si passivation is metallic strontium. When it is overgrown with a layer of SrTiO3 (STO) it can serve as a pseudo-substrate for the integration with functional oxides. In our study we determined a mechanism for epitaxial integration of STO with a (1 x 2) + (2 x 1) reconstructed Sr(1/2 ML)/Si(001) surface using all-pulsed laser deposition (PLD) technology. A detailed analysis of the initial deposition parameters was performed, which enabled us to develop a complete protocol for integration, taking into account the peculiarities of the PLD growth, STO critical thickness, and process thermal budget, in order to kinetically trap the reaction between STO and Si and thus to minimize the thickness of the interface layer. The as-prepared oxide layer exhibits STO(001)8Si(001) out-of-plane and STO[110]8Si[100] in-plane orientation and together with recent advances in large-scale PLD tools these results represent a new technological solution for the implementation of oxide electronics on demand.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000506852400036 Publication Date 2019-10-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2050-7526; 2050-7534 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.4 Times cited 12 Open Access OpenAccess
  Notes ; The research was financially supported by the Slovenian Research Agency (Project No. P2-0091, J2-9237) and Ministry of Education, Science and Sport of the Republic of Slovenia (SIOX projects). This work was also funded by the European Union Council under the 7th Framework Program grant no. NMP3-LA-2010-246102 IFOX. J. V. and G. V. T. acknowledge funding from the Fund for Scientific Research Flanders under project no. G.0044.13N. ; Approved Most recent IF: 6.4; 2020 IF: 5.256
  Call Number UA @ admin @ c:irua:165672 Serial 6298
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Author (up) Stambula, S.; Gauquelin, N.; Bugnet, M.; Gorantla, S.; Turner, S.; Sun, S.; Liu, J.; Zhang, G.; Sun, X.; Botton, G.A.
  Title Chemical structure of nitrogen-doped graphene with single platinum atoms and atomic clusters as a platform for the PEMFC electrode Type A1 Journal article
  Year 2014 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 118 Issue 8 Pages 3890-3900
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A platform for producing stabilized Pt atoms and clusters through the combination of an N-doped graphene support and atomic layer deposition (ALD) for the Pt catalysts was investigated using transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM). It was determined, using imaging and spectroscopy techniques, that a wide range of N-dopant types entered the graphene lattice through covalent bonds without largely damaging its structure. Additionally and most notably, Pt atoms and atomic clusters formed in the absence of nanoparticles. This work provides a new strategy for experimentally producing stable atomic and subnanometer cluster catalysts, which can greatly assist the proton exchange membrane fuel cell (PEMFC) development by producing the ultimate surface area to volume ratio catalyst.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000332188100004 Publication Date 2014-02-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 57 Open Access
  Notes Fwo Approved Most recent IF: 4.536; 2014 IF: 4.772
  Call Number UA @ lucian @ c:irua:115571 Serial 352
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Author (up) Stevens, W.J.J.; Lebeau, K.; Mertens, M.; Van Tendeloo, G.; Cool, P.; Vansant, E.F.
  Title Investigation of the morphology of the mesoporous SBA-16 and SBA-15 materials Type A1 Journal article
  Year 2006 Publication The journal of physical chemistry : B : condensed matter, materials, surfaces, interfaces and biophysical Abbreviated Journal J Phys Chem B
  Volume 110 Issue 18 Pages 9183-9187
  Keywords A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000237451300042 Publication Date 2006-05-04
  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 109 Open Access
  Notes Approved Most recent IF: 3.177; 2006 IF: 4.115
  Call Number UA @ lucian @ c:irua:58264 Serial 1738
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Author (up) Struzzi, C.; Erbahar, D.; Scardamaglia, M.; Amati, M.; Gregoratti, L.; Lagos; Van Tendeloo, G.; Snyders, R.; Ewels, C.; Bittencourt, C.
  Title Selective decoration of isolated carbon nanotubes by potassium evaporation : scanning photoemission microscopy and density functional theory Type A1 Journal article
  Year 2015 Publication Journal of materials chemistry C : materials for optical and electronic devices Abbreviated Journal J Mater Chem C
  Volume 3 Issue 3 Pages 2518-2527
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Site selective doping of aligned carbon nanostructures represents a promising approach for their implementation in actual devices. In the present work we report on alkali metals decoration on low density vertically aligned carbon nanotubes, disclosing the possibility of engineering site selective depositions of potassium atoms on the carbon systems. Photoemission measurements were combined with microscopy demonstrating the effective spatial control of alkali deposition. The changes of electronic structures of locally doped carbon regions were studied by exploiting the ability of the scanning photoemission microscopy technique. From the analysis of experimental data supported by theoretical calculations, we show the tuning of the charge transfer from potassium to carbon atoms belonging to neighboring nanotubes or along the same tube structure.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000350984200011 Publication Date 2014-12-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2050-7526;2050-7534; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.256 Times cited 6 Open Access
  Notes Approved Most recent IF: 5.256; 2015 IF: 4.696
  Call Number c:irua:125496 Serial 2963
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Author (up) Stuer, C.; van Landuyt, J.; Bender, H.; de Wolf, I.; Rooyackers, R.; Badenes, G.
  Title Investigation by convergent beam electron diffraction of the stress around shallow trench isolation structures Type A1 Journal article
  Year 2001 Publication Journal of the electrochemical society Abbreviated Journal J Electrochem Soc
  Volume 148 Issue 11 Pages G597-G601
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Convergent beam electron diffraction (CBED) is used in this study to investigate the stress distribution around shallow trench isolation (STI) structures. Attention is given to the influence of the different processing parameters and the width and spacing of the structures. The use of a wet or a dry pregate oxidation is found to have a strong influence on the stress behavior. Isolated lines show more stress, leading to the formation of defects in the silicon substrate if a wet pregate oxidation is used. The CBED analyses are compared with micro-Raman and bright-field transmission electron microscopy measurements. (C) 2001 The Electrochemical Society.
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000171653100038 Publication Date 2002-07-26
  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 13 Open Access
  Notes Approved Most recent IF: 3.259; 2001 IF: 2.033
  Call Number UA @ lucian @ c:irua:103394 Serial 1725
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Author (up) Subban, C.V.; Ati, M.; Rousse, G.; Abakumov, A.M.; Van Tendeloo, G.; Janot, R.; Tarascon, J.-M.
  Title Preparation, structure, and electrochemistry of layered polyanionic hydroxysulfates : LiMSO4OH (M = Fe, Co, Mn) electrodes for Li-Ion batteries Type A1 Journal article
  Year 2013 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc
  Volume 135 Issue 9 Pages 3653-3661
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The Li-ion rechargeable battery, due to its high energy density, has driven remarkable advances in portable electronics. Moving toward more sustainable electrodes could make this technology even more attractive to large-volume applications. We present here a new family of 3d-metal hydroxysulfates of general formula LiMSO4OH (M = Fe, Co, and Mn) among which (i) LiFeSO4OH reversibly releases 0.7 Li+ at an average potential of 3.6 V vs Li+/Li-0, slightly higher than the potential of currently lauded LiFePO4 (3.45 V) electrode material, and (ii) LiCoSO4OH shows a redox activity at 4.7 V vs Li+/Li-0. Besides, these compounds can be easily made at temperatures near 200 degrees C via a synthesis process that enlists a new intermediate phase of composition M-3(SO4)(2)(OH)(2) (M = Fe, Co, Mn, and Ni), related to the mineral caminite. Structurally, we found that LiFeSO4OH is a layered phase unlike the previously reported 3.2 V tavorite LiFeSO4OH. This work should provide an impetus to experimentalists for designing better electrolytes to fully tap the capacity of high-voltage Co-based hydroxysulfates, and to theorists for providing a means to predict the electrochemical redox activity of two polymorphs.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000315936700056 Publication Date 2013-02-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 13.858 Times cited 53 Open Access
  Notes Approved Most recent IF: 13.858; 2013 IF: 11.444
  Call Number UA @ lucian @ c:irua:108283 Serial 2708
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Author (up) Sullivan, E.; Hadermann, J.; Greaves, C.
  Title Crystallographic and magnetic characterisation of the brownmillerite Sr2Co2O5 Type A1 Journal article
  Year 2011 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume 184 Issue 3 Pages 649-654
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Sr2Co2O5 with the perovskite-related brownmillerite structure has been synthesised via quenching, with the orthorhombic unit cell parameters a=5.4639(3) Å, b=15.6486(8) Å and c=5.5667(3) Å based on refinement of neutron powder diffraction data collected at 4 K. Electron microscopy revealed LRLR-intralayer ordering of chain orientations, which require a doubling of the unit cell along the c-parameter, consistent with the assignment of the space group Pcmb. However, on the length scale pertinent to NPD, no long-range order is observed and the disordered space group Imma appears more appropriate. The magnetic structure corresponds to G-type order with a moment of 3.00(4) μB directed along [1 0 0].
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000288587800026 Publication Date 2011-01-27
  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 19 Open Access
  Notes Approved Most recent IF: 2.299; 2011 IF: 2.159
  Call Number UA @ lucian @ c:irua:89650 Serial 584
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Author (up) Sun, M.; Rousse, G.; Abakumov, A.M.; Saubanere, M.; Doublet, M.-L.; Rodriguez-Carvajal, J.; Van Tendeloo, G.; Tarascon, J.-M.
  Title Li2Cu2O(SO4)2: a possible electrode for sustainable Li-based batteries showing a 4.7 V redox activity vs Li+/Li0 Type A1 Journal article
  Year 2015 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 27 Issue 27 Pages 3077-3087
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Li-ion batteries rely on the use of insertion positive electrodes with performances scaling with the redox potential of the 31) metals accompanying Liuptake/removal. Although not commonly studied, the Cu2+/Cu3+ redox potential has been predicted from theoretical calculations to possibly offer a high operating voltage redox couple. We herein report the synthesis and crystal structure of a hitherto-unknown oxysulfate phase, Li2Cu2O(SO4)(2), which contains infinite edgesharing CuO4 chains and presents attractive electrochemical redox activity with respect to Li+/Li, namely amphoteric characteristics. Li2Cu2O(SO4)(2) shows redox activity at 4.7 V vs Li+/Li corresponding to the oxidation of Cu2+ to Cu3+ enlisting ligand holes and associated with the reversible uptake-removal of 0.3 Li. Upon reduction, this compound reversibly uptakes similar to 2 Li at an average potential of about 2.5 V vs Li+/Li, associated with the Cu2+/Cu+ redox couple. The mechanism of the reactivity upon reduction is discussed in detail, with particular attention to the occasional appearance of an oscillation wave in the discharge profile. Our work demonstrates that Cu-based compounds can indeed be fertile scientific ground in the search for new high-energy-density electrodes.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000353865800043 Publication Date 2015-03-25
  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 20 Open Access
  Notes Approved Most recent IF: 9.466; 2015 IF: 8.354
  Call Number c:irua:126061 Serial 3541
Permanent link to this record
 

 
Author (up) Sun, M.; Rousse, G.; Abakumov, A.M.; Van Tendeloo, G.; Sougrati, M.-T.; Courty, M.; Doublet, M.-L.; Tarascon, J.-M.
  Title An oxysulfate Fe2O(SO4)2 electrode for sustainable Li-based batteries Type A1 Journal article
  Year 2014 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc
  Volume 136 Issue 36 Pages 12658-12666
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract High-performing Fe-based electrodes for Li-based batteries are eagerly pursued because of the abundance and environmental benignity of iron, with especially great interest in polyanionic compounds because of their flexibility in tuning the Fe3+/Fe2+ redox potential. We report herein the synthesis and structure of a new Fe-based oxysulfate phase, Fe2O(SO4)(2), made at low temperature from abundant elements, which electrochemically reacts with nearly 1.6 Li atoms at an average voltage of 3.0 V versus Li+/Li, leading to a sustained reversible capacity of similar to 125 mAh/g. The Li insertiondeinsertion process, the first ever reported in any oxysulfate, entails complex phase transformations associated with the position of iron within the FeO6 octahedra. This finding opens a new path worth exploring in the quest for new positive electrode materials.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000341544600029 Publication Date 2014-08-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 13.858 Times cited 11 Open Access
  Notes Approved Most recent IF: 13.858; 2014 IF: 12.113
  Call Number UA @ lucian @ c:irua:119906 Serial 96
Permanent link to this record
 

 
Author (up) Sun, Z.; Madej, E.; Wiktor; Sinev, I.; Fischer, R.A.; Van Tendeloo, G.; Muhler, M.; Schuhmann, W.; Ventosa, E.
  Title One-pot synthesis of carbon-coated nanostructured iron oxide on few-layer graphene for lithium-ion batteries Type A1 Journal article
  Year 2015 Publication Chemistry: a European journal Abbreviated Journal Chem-Eur J
  Volume 21 Issue 21 Pages 16154-16161
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Nanostructure engineering has been demonstrated to improve the electrochemical performance of iron oxide based electrodes in Li-ion batteries (LIBs). However, the synthesis of advanced functional materials often requires multiple steps. Herein, we present a facile one-pot synthesis of carbon-coated nanostructured iron oxide on few-layer graphene through high-pressure pyrolysis of ferrocene in the presence of pristine graphene. The ferrocene precursor supplies both iron and carbon to form the carbon-coated iron oxide, while the graphene acts as a high-surface-area anchor to achieve small metal oxide nanoparticles. When evaluated as a negative-electrode material for LIBs, our composite showed improved electrochemical performance compared to commercial iron oxide nanopowders, especially at fast charge/discharge rates.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000363890700036 Publication Date 2015-09-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0947-6539 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.317 Times cited 8 Open Access
  Notes Approved Most recent IF: 5.317; 2015 IF: 5.731
  Call Number UA @ lucian @ c:irua:129510 Serial 4218
Permanent link to this record
 

 
Author (up) Tan, H.; Tian, H.; Verbeeck, J.; Janssens, K.; Van Tendeloo, G.
  Title Nanoscale investigation of the degradation mechanism of a historical chrome yellow paint by quantitative electron energy loss spectroscopy mapping of chromium species Type A1 Journal article
  Year 2013 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit
  Volume 52 Issue 43 Pages 11360-11363
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract Getting the picture: The investigation of 100 year old chrome yellow paint by transmission electron microscopy and spectroscopy has led to the identification of four types of coreshell particles. This nanoscale investigation has allowed a mechanism to be proposed for the darkening of some bright yellow colors in Van Gogh's paintings (e.g. in Falling leaves (Les Alyscamps), 1888).
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000330735800026 Publication Date 2013-09-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1433-7851; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 11.994 Times cited 29 Open Access
  Notes Esteem2; Vortex; Countatoms; esteem2jra3 ECASJO; Approved Most recent IF: 11.994; 2013 IF: 11.336
  Call Number UA @ lucian @ c:irua:110947UA @ admin @ c:irua:110947 Serial 2266
Permanent link to this record
 

 
Author (up) Tan, X.; McCabe, E.E.; Orlandi, F.; Manuel, P.; Batuk, M.; Hadermann, J.; Deng, Z.; Jin, C.; Nowik, I.; Herber, R.; Segre, C.U.; Liu, S.; Croft, M.; Kang, C.-J.; Lapidus, S.; Frank, C.E.; Padmanabhan, H.; Gopalan, V.; Wu, M.; Li, M.-R.; Kotliar, G.; Walker, D.; Greenblatt, M.
  Title MnFe0.5Ru0.5O3 : an above-room-temperature antiferromagnetic semiconductor Type A1 Journal article
  Year 2019 Publication Journal of materials chemistry C : materials for optical and electronic devices Abbreviated Journal J Mater Chem C
  Volume 7 Issue 3 Pages 509-522
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A transition-metal-only MnFe0.5Ru0.5O3 polycrystalline oxide was prepared by a reaction of starting materials MnO, MnO2, Fe2O3, RuO2 at 6 GPa and 1873 K for 30 minutes. A combination of X-ray and neutron powder diffraction refinements indicated that MnFe0.5Ru0.5O3 adopts the corundum (alpha-Fe2O3) structure type with space group R (3) over barc, in which all metal ions are disordered. The centrosymmetric nature of the MnFe0.5Ru0.5O3 structure is corroborated by transmission electron microscopy, lack of optical second harmonic generation, X-ray absorption near edge spectroscopy, and Mossbauer spectroscopy. X-ray absorption near edge spectroscopy of MnFe0.5Ru0.5O3 showed the oxidation states of Mn, Fe, and Ru to be 2+/3+, 3+, and similar to 4+, respectively. Resistivity measurements revealed that MnFe0.5Ru0.5O3 is a semiconductor. Magnetic measurements and magnetic structure refinements indicated that MnFe0.5Ru0.5O3 orders antiferromagnetically around 400 K, with magnetic moments slightly canted away from the c axis. Fe-57 Mossbauer confirmed the magnetic ordering and Fe3+ (S = 5/2) magnetic hyperfine splitting. First principles calculations are provided to understand the electronic structure more thoroughly. A comparison of synthesis and properties of MnFe0.5Ru0.5O3 and related corundum Mn2BB'O-6 derivatives is discussed.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000458780300004 Publication Date 2018-11-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2050-7526; 2050-7534 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.256 Times cited 1 Open Access Not_Open_Access
  Notes ; M. G. thanks the NSF-DMR-1507252 grant of the United States. X. T. was supported by the “Center for Computational Design of Functional Strongly Correlated Materials and Theoretical Spectroscopy'' under DOE Grant No. DE-FOA-0001276. G. K. and C. J. K. were supported by the Air Force Office of Scientific Research. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. EEM is grateful to the Leverhulme Trust (RPG-2017-362). M. R. Li and M. X. Wu are supported by the ”One Thousand Youth Talents'' Program of China. 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. Part of this research used the ISS, 8-ID and TES, 8-BM beamlines at the National Synchrotron Light Source II (NSLS-II), a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Brookhaven National Laboratory under Contract No. DE-SC0012704. Without the valuable aid/support of the NSLS-II staff scientists Eli Stavitski, Klaus Attenkofer, and Paul Northrup this phase of the work could not have been performed. The work at IOPCAS was supported by NSF & MOST of China through research projects. H. R. and V. G. acknowledge NSF-MRSEC Center for Nanoscale Science at Penn State through the grant number DMR-1420620. The authors would like to thank Ms Jean Hanley at Lamont-Doherty Earth Observatory in Columbia University for making the high-pressure assemblies. The authors acknowledge the science and technology facility council (STFC) UK for the provision of neutron beam time. The authors would like to thank Daniel Nye for help on the Rigaku SmartLab X-ray diffractometer instrument in the Materials Characterization Laboratory at the ISIS Neutron and Muon Source. ; Approved Most recent IF: 5.256
  Call Number UA @ admin @ c:irua:157564 Serial 5264
Permanent link to this record
 

 
Author (up) Tan, X.; Stephens, P.W.; Hendrickx, M.; Hadermann, J.; Segre, C.U.; Croft, M.; Kang, C.-J.; Deng, Z.; Lapidus, S.H.; Kim, S.W.; Jin, C.; Kotliar, G.; Greenblatt, M.
  Title Tetragonal Cs1.17In0.81Cl3 : a charge-ordered indium halide perovskite derivative Type A1 Journal article
  Year 2019 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 31 Issue 6 Pages 1981-1989
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Polycrystalline samples of Cs1.17In0.81Cl3 were prepared by annealing a mixture of CsCl, InCl, and InCl3, stoichiometric for the targeted CsInCl3. Synchrotron powder X-ray diffraction refinement and chemical analysis by energy dispersive X-ray indicated that Cs1.17In0.81Cl3, a tetragonal distorted perovskite derivative (I4/m), is the thermodynamically stable product. The refined unit cell parameters and space group were confirmed by electron diffraction. In the tetragonal structure, In+ and In3+ are located in four different crystallographic sites, consistent with their corresponding bond lengths. In1, In2, and In3 are octahedrally coordinated, whereas In4 is at the center of a pentagonal bipyramid of Cl because of the noncooperative octahedral tilting of In4Cl6. The charged-ordered In+ and In3+ were also confirmed by X-ray absorption and Raman spectroscopy. Cs1.17In0.81Cl3 is the first example of an inorganic halide double perovskite derivative with charged-ordered In+ and In3+. Band structure and optical conductivity calculations were carried out with both generalized gradient approximation (GGA) and modified Becke-Johnson (mBJ) approach; the GGA calculations estimated the band gap and optical band gap to be 2.27 eV and 2.4 eV, respectively. The large and indirect band gap suggests that Cs1.17In0.81Cl3 is not a good candidate for photovoltaic application.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000462950400017 Publication Date 2019-02-19
  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 6 Open Access OpenAccess
  Notes ; M.G. and X.T. were supported by the Center for Computational Design of Functional Strongly Correlated Materials and Theoretical Spectroscopy under DOE Grant No. DE-FOA-0001276. M.G. also acknowledges support of NSF-DMR-1507252 grant. G.K. and C.-J.K. were supported by the Air Force Office of Scientific Research. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. The use of the Advanced Photon Source at the 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. The works at IOPCAS were supported by NSF & MOST of China through research projects. ; Approved Most recent IF: 9.466
  Call Number UA @ admin @ c:irua:159413 Serial 5262
Permanent link to this record
 

 
Author (up) Tang, Y.; Hunter, E.C.; Battle, P.D.; Hendrickx, M.; Hadermann, J.; Cadogan, J.M.
  Title Ferrimagnetism as a consequence of unusual cation ordering in the Perovskite SrLa2FeCoSbO9 Type A1 Journal article
  Year 2018 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
  Volume 57 Issue 12 Pages 7438-7445
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A polycrystalline sample of SrLa2FeCoSbO9 has been prepared in a solid-state reaction and studied by a combination of electron microscopy, magnetometry, Mossbauer spectroscopy, X-ray diffraction, and neutron diffraction. The compound adopts a monoclinic (space group P2(1)/n; a = 5.6218(6), b = 5.6221(6), c = 7.9440(8) angstrom, beta = 90.050(7)degrees at 300 K) perovskite-like crystal structure with two crystallographically distinct six-coordinate sites. One of these sites is occupied by 2/3 Co-2(+),1/3 Fe3+ and the other by 2/3 Sb5+, 1/3 Fe3+. This pattern of cation ordering results in a transition to a ferrimagnetic phase at 215 K. The magnetic moments on nearest-neighbor, six-coordinate cations align in an antiparallel manner, and the presence of diamagnetic Sb5+ on only one of the two sites results in a nonzero remanent magnetization of similar to 1 mu(B) per formula unit at 5 K.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Easton, Pa Editor
  Language Wos 000436023800073 Publication Date 2018-05-29
  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 6 Open Access Not_Open_Access
  Notes ; PDB, ECH, and JH acknowledge support from EPSRC under grant EP/M0189954/1. We would like to thank the STFC for the award of beamtime at the ISIS Neutron and Muon Source (RB 1610100), and we thank Dr. I. da Silva for the assistance provided. We also thank Dr. R Paria Sena for help with the HAADF-STEM and STEM-EDX experiments. ; Approved Most recent IF: 4.857
  Call Number UA @ lucian @ c:irua:152485 Serial 5103
Permanent link to this record
 

 
Author (up) Tang, Y.; Hunter, E.C.; Battle, P.D.; Sena, R.P.; Hadermann, J.; Avdeev, M.; Cadogan, J.M.
  Title Structural chemistry and magnetic properties of the perovskite Sr3Fe2TeO9 Type A1 Journal article
  Year 2016 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume 242 Issue 242 Pages 86-95
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A polycrystalline sample of perovskite-like Sr3Fe2TeO9 has been prepared in a solid-state reaction and studied by a combination of electron microscopy, Mossbauer spectroscopy, magnetometry, X-ray diffraction and neutron diffraction. The majority of the reaction product is shown to be a trigonal phase with a 2:1 ordered arrangement of Fe3+ and Te6+ cations. However, the sample is prone to nano twinning and tetragonal domains with a different pattern of cation ordering exist within many crystallites. Antiferromagnetic ordering exists in the trigonal phase at 300 K and Sr3Fe2TeO9 is thus the first example of a perovskite with 2:1 trigonal cation ordering to show long-range magnetic order. At 300 K the antiferromagnetic phase coexists with two paramagnetic phases which show spin -glass behaviour below similar to 80 K. (C) 2016 The Authors. Published by Elsevier Inc.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000382429600012 Publication Date 2016-06-29
  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 12 Open Access
  Notes Approved Most recent IF: 2.299
  Call Number UA @ lucian @ c:irua:135682 Serial 4310
Permanent link to this record
 

 
Author (up) Tang, Y.; Sena, R.P.; Aydeev, M.; Battle, P.D.; Cadogan, J.M.; Hadermann, J.; Hunter, E.C.
  Title Magnetic properties of the 6H perovskite Ba3Fe2TeO9 Type A1 Journal article
  Year 2017 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume 253 Issue Pages 347-354
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A polycrystalline sample of Ba3Fe2TeO9 having the 6H perovskite structure has been prepared in a solid-state reaction and studied by a combination of electron microscopy, Mossbauer spectroscopy, magnetometry, X-ray diffraction and neutron diffraction. Partial ordering of Fe3+ and Te6+ cations occurs over the six-coordinate sites; the corner-sharing octahedra are predominantly occupied by the former and the face-sharing octahedra by a 1:1 mixture of the two. On cooling through the temperature range 18 < T/K < 295 an increasing number of spins join an antiferromagnetic backbone running through the structure while the remainder show complex relaxation effects. At 3 K an antiferromagnetic phase and a spin glass coexist.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000406572600047 Publication Date 2017-06-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 6 Open Access OpenAccess
  Notes ; We thank EPSRC for financial support through grant EP/M018954/1. ; Approved Most recent IF: 2.299
  Call Number UA @ lucian @ c:irua:145692 Serial 4743
Permanent link to this record
 

 
Author (up) Tarakina, N.V.; Nikulina, E.A.; Hadermann, J.; Kellerman, D.G.; Tyutunnik, A.P.; Berger, I.F.; Zubkov, V.G.; Van Tendeloo, G.
  Title Crystal structure and magnetic properties of complex oxides Mg4-xNixO9, 0\leq x\leq4 Type A1 Journal article
  Year 2007 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume 180 Issue 11 Pages 3180-3187
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract In the Mg4−xNixNb2O9 (0x4) system two ranges of solid solution have been found. One of the solid solutions has a corundum-related structure type (space group ); the second one adopts the II-Ni4Nb2O9 structure type (space group Pbcn). The unit cell constants and atomic positions have been determined and refined using neutron powder diffraction data. Electron diffraction and high-resolution transmission electron microscopy (HRTEM) from MgNi3Nb2O9 crystals identify the presence of planar defects and the intergrowth of several (structurally related) phases. The magnetic susceptibility of Mg3NiNb2O9, measured in the temperature range T=2300 K, shows no indications of magnetic ordering at low temperatures, while for MgNi3Nb2O9 there is a magnetic ordering at temperatures below 45.5 K.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000260636200025 Publication Date 2007-09-15
  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 3 Open Access
  Notes Belgium Science Policy Approved Most recent IF: 2.299; 2007 IF: 2.149
  Call Number UA @ lucian @ c:irua:72944 Serial 559
Permanent link to this record
 

 
Author (up) Tarasov, A.; Hu, Z.-Y.; Meledina, M.; Trusov, G.; Goodilin, E.; Van Tendeloo, G.; Dobrovolsky, Y.
  Title One-Step Microheterogeneous Formation of Rutile@Anatase Core–Shell Nanostructured Microspheres Discovered by Precise Phase Mapping Type A1 Journal article
  Year 2017 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 121 Issue 121 Pages 4443-4450
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Nanostructured core−shell microspheres with a rough rutile core and a thin anatase shell are synthesized via a one-step heterogeneous templated hydrolysis process of TiCl4 vapor on the aerosol water−air interface. The rutile-in-anatase core−shell structure has been evidenced by different electron microscopy techniques, including electron energy-loss spectroscopy and 3D electron tomography. A new mechanism for the formation of a crystalline rutile core inside the anatase shell is proposed based on a statistical evaluation of a large number of electron microscopy data. We found that the control over the TiCl4 vapor pressure, the ratio between TiCl4 and H2O aerosol, and the reaction conditions plays a crucial role in the formation of the core−shell morphology and increases the yield of nanostructured microspheres.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000395616200038 Publication Date 2017-03-02
  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 4 Open Access OpenAccess
  Notes Z.-Y.H., M. M., and G.V.T. acknowledge support from the the EC Framework 7 program ESTEEM2 (Reference 312483). Approved Most recent IF: 4.536
  Call Number EMAT @ emat @ c:irua:141720 Serial 4472
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Author (up) Taylor, P.R.; Martin, J.M.L.; François, J.P.; Gijbels, R.
  Title An ab initio study of the C3+ cation using multireference methods Type A1 Journal article
  Year 1991 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
  Volume 95 Issue Pages 6530-6534
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-9606 ISBN Additional Links UA library record
  Impact Factor 2.952 Times cited Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:720 Serial 39
Permanent link to this record
 

 
Author (up) Terzano, R.; al Chami, Z.; Vekemans, B.; Janssens, K.; Miano, T.; Ruggiero, P.
  Title Zinc distribution and speciation within rocket plants (Eruca vesicaria L. Cavalieri) grown on a polluted soil amended with compost as determined by XRF microtomography and Micro-Xanes Type A1 Journal article
  Year 2008 Publication Journal of agricultural and food chemistry Abbreviated Journal J Agr Food Chem
  Volume 56 Issue 9 Pages 3222-3231
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000255655600050 Publication Date 2008-04-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-8561 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.154 Times cited 68 Open Access
  Notes Approved Most recent IF: 3.154; 2008 IF: 2.562
  Call Number UA @ admin @ c:irua:69147 Serial 5925
Permanent link to this record
 

 
Author (up) Terzano, R.; Alfeld, M.; Janssens, K.; Vekemans, B.; Schoonjans, T.; Vincze, L.; Tomasi, N.; Pinton, R.; Cesco, S.
  Title Spatially resolved (semi)quantitative determination of iron (Fe) in plants by means of synchrotron micro X-ray fluorescence Type A1 Journal article
  Year 2013 Publication Analytical and bioanalytical chemistry Abbreviated Journal Anal Bioanal Chem
  Volume 405 Issue 10 Pages 3341-3350
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract Iron (Fe) is an essential element for plant growth and development; hence determining Fe distribution and concentration inside plant organs at the microscopic level is of great relevance to better understand its metabolism and bioavailability through the food chain. Among the available microanalytical techniques, synchrotron mu-XRF methods can provide a powerful and versatile array of analytical tools to study Fe distribution within plant samples. In the last years, the implementation of new algorithms and detection technologies has opened the way to more accurate (semi)quantitative analyses of complex matrices like plant materials. In this paper, for the first time the distribution of Fe within tomato roots has been imaged and quantified by means of confocal mu-XRF and exploiting a recently developed fundamental parameter-based algorithm. With this approach, Fe concentrations ranging from few hundreds of ppb to several hundreds of ppm can be determined at the microscopic level without cutting sections. Furthermore, Fe (semi)quantitative distribution maps were obtained for the first time by using two opposing detectors to collect simultaneously the XRF radiation emerging from both sides of an intact cucumber leaf.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000316338700033 Publication Date 2013-02-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1618-2642 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.431 Times cited 27 Open Access
  Notes ; Research was supported by grants from Italian MIUR (FIRB-Programma “Futuro in Ricerca”) and Free University of Bolzano (TN5046 and TN5056). Synchrotron experiments at HASY-LAB were financially supported by the European Community Research Infrastructure Action under the FP6 “Structuring the European Research Area” Program I (Integrating Activity on Synchrotron and Free Electron Laser Science; project: contract RII3-CT-2004-506008). Matthias Alfeld receives a Ph.D. fellowship of the Research Foundation-Flanders (FWO). We thank Karen Rickers-Appel for her scientific and technical support in obtaining the experimental data at Beamline L (HASYLAB, DESY, Hamburg, Germany). ; Approved Most recent IF: 3.431; 2013 IF: 3.578
  Call Number UA @ admin @ c:irua:108261 Serial 5838
Permanent link to this record
 

 
Author (up) Terzano, R.; Denecke, M.A.; Falkenberg, G.; Miller, B.; Paterson, D.; Janssens, K.
  Title Recent advances in analysis of trace elements in environmental samples by X-ray based techniques (IUPAC Technical Report) Type A1 Journal article
  Year 2019 Publication Pure and applied chemistry Abbreviated Journal Pure Appl Chem
  Volume 91 Issue 6 Pages 1029-1063
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract Trace elements analysis is a fundamental challenge in environmental sciences. Scientists measure trace elements in environmental media in order to assess the quality and safety of ecosystems and to quantify the burden of anthropogenic pollution. Among the available analytical techniques, X-ray based methods are particularly powerful, as they can quantify trace elements in situ. Chemical extraction is not required, as is the case for many other analytical techniques. In the last few years, the potential for X-ray techniques to be applied in the environmental sciences has dramatically increased due to developments in laboratory instruments and synchrotron radiation facilities with improved sensitivity and spatial resolution. In this report, we summarize the principles of the X-ray based analytical techniques most frequently employed to study trace elements in environmental samples. We report on the most recent developments in laboratory and synchrotron techniques, as well as advances in instrumentation, with a special attention on X-ray sources, detectors, and optics. Lastly, we inform readers on recent applications of X-ray based analysis to different environmental matrices, such as soil, sediments, waters, wastes, living organisms, geological samples, and atmospheric particulate, and we report examples of sample preparation.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000471262400011 Publication Date 2019-05-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0033-4545 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.626 Times cited 3 Open Access
  Notes ; This document was developed as a part of IUPAC, Funder Id: http://dx.doi.org/ 10.13039/100006987, Project #2016-019-2-600 “Trace elements analysis of environmental samples with X-rays: from synchrotron to lab and from lab to synchrotron” led by Roberto Terzano (Task Group Chair). Task Group Members for this project were: Melissa Anne Denecke, Gerald Falkenberg, Armin Gross, Koen Janssens, Bradley Miller, David Paterson, Ryan Tappero, Fang-Jie Zhao. Their contribution to the project is gratefully acknowledged. ; Approved Most recent IF: 2.626
  Call Number UA @ admin @ c:irua:161369 Serial 5803
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