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Author Florea, A.; Cowen, T.; Piletsky, S.; De Wael, K. url  doi
openurl 
  Title Electrochemical analysis of cocaine in real samples based on electrodeposited biomimetic affinity ligands Type A1 Journal article
  Year 2019 Publication The analyst Abbreviated Journal Analyst  
  Volume 144 Issue 15 Pages 4639-4646  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract A selective electrochemical sensor for direct detection of cocaine was developed based on molecularly imprinted polymers electropolymerized onto graphene-modified electrodes. Palladium nanoparticles were integrated in the sensing layer for the benefit of enhancing the communication between imprinted sites and electrode and improving their homogenous distribution. The molecularly imprinted polymer was synthesized by cyclic voltammetry using p-aminobenzoic acid as high affinity monomer selected by computational modeling, and cocaine as template molecule. Experimental parameters related to the electrochemical deposition of palladium nanoparticles, pH, composition of electropolymerization mixture, extraction and rebinding condition were studied and optimized. Under optimized conditions the oxidation peak current varied linearly with cocaine concentration in the range of 100-500 µM, with a detection limit of 50 µM (RSD 0.71%, n=3). The molecularly imprinted sensor was able to detect cocaine in saliva and river water with good recoveries after sample pretreatment and was successfully applied for screening real street samples for cocaine.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000476812000021 Publication Date 2019-06-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0003-2654 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.885 Times cited 3 Open Access  
  Notes ; This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 753223 Narcoreader. ; Approved Most recent IF: 3.885  
  Call Number UA @ admin @ c:irua:160062 Serial 5586  
Permanent link to this record
 

 
Author Legrand, S.; Alfeld, M.; Vanmeert, F.; de Nolf, W.; Janssens, K. pdf  doi
openurl 
  Title Macroscopic Fourier transform infrared scanning in reflection mode (MA-rFTIR), a new tool for chemical imaging of cultural heritage artefacts in the mid-infrared range Type A1 Journal article
  Year 2014 Publication The analyst Abbreviated Journal Analyst  
  Volume 139 Issue 10 Pages 2489-2498  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract In this paper we demonstrate that by means of scanning reflection FTIR spectroscopy, it is possible to record highly specific distribution maps of organic and inorganic compounds from flat, macroscopic objects with cultural heritage value in a non-invasive manner. Our previous work involved the recording of macroscopic distributions of chemical elements or crystal phases from painted works of art based on respectively macroscopic X-ray fluorescence or X-ray powder diffraction analysis. The use of infrared radiation instead of X-rays has the advantage that more specific information about the nature and distribution of the chemical compounds present can be gathered. This higher imaging specificity represents a clear advantage for the characterization of painting and artist materials. It allows the distribution of metallo-organic compounds to be visualized and permits distinguishing between pigmented materials containing the same key metal. The prototype instrument allows the recording of hyperspectral datacubes by scanning the surface of the artefact in a contactless and sequential single-point measuring mode, while recording the spectrum of reflected infrared radiation. After the acquisition, spectral line intensities of individual bands and chemical distribution maps can be extracted from the datacube to identify the compounds present and/or to highlight their spatial distribution. Not only is information gained on the surface of the investigated artefacts, but also images of overpainted paint layers and, if present, the underdrawing may be revealed in this manner. A current major limitation is the long scanning times required to record these maps.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000334734200028 Publication Date 2014-02-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0003-2654 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.885 Times cited 25 Open Access  
  Notes ; ; Approved Most recent IF: 3.885; 2014 IF: 4.107  
  Call Number UA @ admin @ c:irua:116595 Serial 5699  
Permanent link to this record
 

 
Author Qurashi, A.; Rather, J.A.; De Wael, K.; Merzougui, B.; Tabet, N.; Faiz, M. doi  openurl
  Title Rapid microwave synthesis of high aspect-ration ZnO nanotetrapods for swift bisphenol A detection Type A1 Journal article
  Year 2013 Publication The analyst Abbreviated Journal Analyst  
  Volume 138 Issue 17 Pages 4764-4768  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000322389600011 Publication Date 2013-05-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0003-2654 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.885 Times cited 15 Open Access  
  Notes ; One of the authors (Jahangir Ahmad Rather) is highly thankful for the mobility grant (Non-Europe Postdoc Fellowship) supported by the Belgian Federal Science Policy (Belspo) co-funded by the Marie Curie Actions from the European Commission. ; Approved Most recent IF: 3.885; 2013 IF: 3.906  
  Call Number UA @ admin @ c:irua:108959 Serial 5801  
Permanent link to this record
 

 
Author de Jong, M.; Florea, A.; Daems, D.; Van Loon, J.; Samyn, N.; De Wael, K. url  doi
openurl 
  Title Electrochemical Analysis of Speedball-like Polydrug Samples Type A1 Journal article
  Year 2020 Publication Analyst Abbreviated Journal Analyst  
  Volume Issue Pages  
  Keywords A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Product development  
  Abstract Increasing global production, trafficking and consumption of drugs of abuse cause an emerging threat to people’s health and safety. Electrochemical approaches have proven to be useful for on-site analysis of drugs of abuse. However, few attention has been focused on the analysis of polydrug samples, despite these samples causing severe health concerns, certainly when stimulants and depressants are combined, as is the case for Speedball, a mixture of cocaine and heroin. In this work, we provide solutions for the selective detection of cocaine (stimulant) in polydrug samples adulterated with heroin and codeine (depressants). The presence of either one of these compounds in cocaine street samples leads to an overlap with the cocaine signal in square-wave voltammetry measurements at unmodified carbon screen-printed electrodes, leading to inconclusive screening results in the field. The provided solutions to this problem consist of two parallel approaches: (i) cathodic pretreatment of the carbon screen-printed electrode surface prior to measurement in both alkaline and neutral conditions; (ii) electropolymerization of orthophenylenediamine on graphene modified carbon screen-printed electrodes prior to measurement in neutral conditions. Both strategies allow simultaneous detection of cocaine and heroin in speedball samples as well as simultaneous detection of cocaine and codeine. Implementing these strategies in portable devices holds great potential for significantly improved accuracy of on-site cocaine screening in polydrug samples.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000568961600011 Publication Date 2020-07-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0003-2654 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.2 Times cited Open Access  
  Notes This work was supported by IOF-SBO and IOF-POC from University of Antwerp, Antwerp, Belgium; and VLAIO IM [HBC.2019.2181], Brussels, Belgium. Approved Most recent IF: 4.2; 2020 IF: 3.885  
  Call Number AXES @ axes @c:irua:170444 Serial 6395  
Permanent link to this record
 

 
Author Thiruvottriyur Shanmugam, S.; Trashin, S.; De Wael, K. url  doi
openurl 
  Title Gold-sputtered microelectrodes with built-in gold reference and counter electrodes for electrochemical DNA detection Type A1 Journal article
  Year 2020 Publication Analyst Abbreviated Journal Analyst  
  Volume Issue Pages  
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Gold-sputtered microelectrodes with built-in gold reference and counter electrodes represent a promising platform for the development of disposable DNA sensors. Pretreating gold electrode surfaces and immobilization of DNA thereon is commonly employed in biosensing applications. However, with no scientific or practical guidelines to prepare a DNA sensor using these miniature gold-sputtered microelectrodes, cleaning and immobilization steps need to be systematically optimized and updated. In this work, we present efficient cleaning and modification of miniaturized gold-sputtered microelectrodes with thiolated DNA probes for DNA detection. Additional discussions on subtleties and nuances involved at each stage of pretreating and modifying gold-sputtered microelectrodes are included to present a robust, well-founded protocol. It was evident that the insights on cleaning polycrystalline gold disk electrodes with a benchmark electrode surface for DNA sensors, cannot be transferred to clean these miniature gold-sputtered microelectrodes. Therefore, a comparison between five different cleaning protocols was made to find the optimal one for gold-sputtered microelectrodes. Additionally, two principally different immobilization techniques for gold-sputtered microelectrode modification with thiolated ssDNA were compared i.e., immobilization through passive chemisorption and potential perturbation were compared in terms of thiol-specific attachment and thiol-unspecific adsorption through nitrogenous bases. The hybridization performance of these prepared electrodes was characterized by their sensitive complementary DNA capturing ability, detected by a standard alkaline phosphatase assay. Immobilization through passive chemisorption proved to be efficient in capturing the complementary target DNA with a detection limit of 0.14 nM and sensitivity of 9.38 A M−1 cm2. In general, this work presents a comprehensive understanding of cleaning, modification and performance of gold-sputtered microelectrodes with built-in gold reference and counter electrodes for both fundamental investigations and practical DNA sensing applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000592315100017 Publication Date 2020-09-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0003-2654 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.2 Times cited Open Access  
  Notes Approved Most recent IF: 4.2; 2020 IF: 3.885  
  Call Number UA @ admin @ c:irua:172447 Serial 6527  
Permanent link to this record
 

 
Author Johansson, T.B.; Nelson, J.W.; Van Grieken, R.E.; Winchester, J.W. openurl 
  Title Elemental analysis of aerosol-size fractions by proton-induced X-ray-emission Type A1 Journal article
  Year 1973 Publication Transactions of the American Nuclear Society Abbreviated Journal  
  Volume 17 Issue Nov Pages 103-103  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos A1973R161300114 Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0003-018x ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:113643 Serial 7880  
Permanent link to this record
 

 
Author Salje, E.K.H.; Buckley, A.; Van Tendeloo, G.; Ishibashi, Y.; Nord, G.L. openurl 
  Title Needle twins and right-angled twins in minerals: comparison between experiment and theory Type A1 Journal article
  Year 1998 Publication The American mineralogist Abbreviated Journal Am Mineral  
  Volume 83 Issue Pages 811-822  
  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 000074717900013 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0003-004x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.021 Times cited 43 Open Access  
  Notes Approved Most recent IF: 2.021; 1998 IF: 2.124  
  Call Number UA @ lucian @ c:irua:25675 Serial 2288  
Permanent link to this record
 

 
Author Groat, L.A.; Kek, S.; Bismayer, U.; Schmidt, C.; Krane, H.G.; Meyer, H.; Nistor, L.; Van Tendeloo, G. openurl 
  Title A synchrotron radiation, HRTEM, X-ray powder diffraction, and Raman spectroscopic study of malayaite, CaSnSiO5 Type A1 Journal article
  Year 1996 Publication The American mineralogist Abbreviated Journal Am Mineral  
  Volume 81 Issue 5/6 Pages 595-602  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Synchrotron radiation, high-resolution transmission electron microscopy (HRTEM), X-ray powder diffraction, and Raman spectroscopy were used to study the structure and thermal behavior of malayaite, CaSnSiO5. No indications of deviation from A2/a symmetry and no structural transitions were observed between 100 and 870 K. HRTEM revealed that the material is free of domains and antiphase boundaries. However, the lattice constants, cell volume, and Raman-active phonons show a thermal discontinuity near 500 K, which is possibly related to variation of the coordination sphere around the highly anisotropic Ca position.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos A1996UP41100006 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0003-004x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.964 Times cited 19 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:16862 Serial 3407  
Permanent link to this record
 

 
Author Pittarello, L.; Mckibbin, S.; Yamaguchi, A.; Ji, G.; Schryvers, D.; Debaille, V.; Claeys, P. pdf  doi
openurl 
  Title Two generations of exsolution lamellae in pyroxene from Asuka 09545 : Clues to the thermal evolution of silicates in mesosiderite Type A1 Journal article
  Year 2019 Publication The American mineralogist Abbreviated Journal Am Mineral  
  Volume 104 Issue 11 Pages 1663-1672  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Mesosiderite meteorites consist of a mixture of crustal basaltic or gabbroic material and metal. Their formation process is still debated due to their unexpected combination of crust and core materials, possibly derived from the same planetesimal parent body, and lacking an intervening mantle component. Mesosiderites have experienced an extremely slow cooling rate from ca. 550 degrees C, as recorded in the metal (0.25-0.5 degrees C/Ma). Here we present a detailed investigation of exsolution features in pyroxene from the Antarctic mesosiderite Asuka (A) 09545. Geothermobarometry calculations, lattice parameters, lamellae orientation, and the presence of clinoenstatite as the host were used in an attempt to constrain the evolution of pyroxene from 1150 to 570 degrees C and the formation of two generations of exsolution lamellae. After pigeonite crystallization at ca. 1150 degrees C, the first exsolution process generated the thick augite lamellae along (100) in the temperature interval 1000-900 degrees C. By further cooling, a second order of exsolution lamellae formed within augite along (001), consisting of monoclinic low-Ca pyroxene, equilibrated in the temperature range 900-800 degrees C. The last process, occurring in the 600-500 degrees C temperature range, was likely the inversion of high to low pigeonite in the host crystal, lacking evidence for nucleation of orthopyroxene. The formation of two generations of exsolution lamellae, as well as of likely metastable pigeonite, suggest non-equilibrium conditions. Cooling was sufficiently slow to allow the formation of the lamellae, their preservation, and the transition from high to low pigeonite. In addition, the preservation of such fine-grained lamellae limits long-lasting, impact reheating to a peak temperature lower than 570 degrees C. These features, including the presence of monoclinic low-Ca pyroxene as the host, are reported in only a few mesosiderites. This suggests a possibly different origin and thermal history from most mesosiderites and that the crystallography (i.e., space group) of low-Ca pyroxene could be used as parameter to distinguish mesosiderite populations based on their cooling history.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000494707400014 Publication Date 2019-08-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0003-004x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.021 Times cited Open Access  
  Notes Approved Most recent IF: 2.021  
  Call Number UA @ admin @ c:irua:164645 Serial 6331  
Permanent link to this record
 

 
Author Matulis, A.; Peeters, F.M. doi  openurl
  Title Analogy between one-dimensional chain models and graphene Type A1 Journal article
  Year 2009 Publication American journal of physics Abbreviated Journal Am J Phys  
  Volume 77 Issue 7 Pages 595-601  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The electron and hole spectrum in single and bilayer graphene is derived from known one-dimensional models, and the relation between the spectrum and symmetry of the lattice is shown.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000266976000003 Publication Date 2009-06-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0002-9505; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.069 Times cited 11 Open Access  
  Notes Approved Most recent IF: 1.069; 2009 IF: 0.779  
  Call Number UA @ lucian @ c:irua:77381 Serial 97  
Permanent link to this record
 

 
Author Ibrahim, I.S.; Peeters, F.M. doi  openurl
  Title The magnetic Kronig-Penney model Type A1 Journal article
  Year 1995 Publication American journal of physics Abbreviated Journal Am J Phys  
  Volume 63 Issue Pages 171-173  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos A1995QC79100024 Publication Date 2005-03-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0002-9505; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.956 Times cited 21 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:12200 Serial 1883  
Permanent link to this record
 

 
Author Sun, M.; Rousse, G.; Abakumov, A.M.; Van Tendeloo, G.; Sougrati, M.-T.; Courty, M.; Doublet, M.-L.; Tarascon, J.-M. doi  openurl
  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 (down) 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 Palgrave, R.G.; Borisov, P.; Dyer, M.S.; McMitchell, S.R.C.; Darling, G.R.; Claridge, J.B.; Batuk, M.; Tan, H.; Tian, H.; Verbeeck, J.; Hadermann, J.; Rosseinsky, M.J.; pdf  doi
openurl 
  Title Artificial construction of the layered Ruddlesden-Popper manganite La2Sr2Mn3O10 by reflection high energy electron diffraction monitored pulsed laser deposition Type A1 Journal article
  Year 2012 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 134 Issue 18 Pages 7700-7714  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Pulsed laser deposition has been used to artificially construct the n = 3 Ruddlesden Popper structure La2Sr2Mn3O10 in epitaxial thin film form by sequentially layering La1-xSrxMnO3 and SrO unit cells aided by in situ reflection high energy electron diffraction monitoring. The interval deposition technique was used to promote two-dimensional SrO growth. X-ray diffraction and cross-sectional transmission electron microscopy indicated that the trilayer structure had been formed. A site ordering was found to differ from that expected thermodynamically, with the smaller Sr2+ predominantly on the R site due to kinetic trapping of the deposited cation sequence. A dependence of the out-of-plane lattice parameter on growth pressure was interpreted as changing the oxygen content of the films. Magnetic and transport measurements on fully oxygenated films indicated a frustrated magnetic ground state characterized as a spin glass-like magnetic phase with the glass temperature T-g approximate to 34 K. The magnetic frustration has a clear in-plane (ab) magnetic anisotropy, which is maintained up to temperatures of 150 K. Density functional theory calculations suggest competing antiferromagnetic and ferromagnetic long-range orders, which are proposed as the origin of the low-temperature glassy state.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000303696200029 Publication Date 2012-03-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 27 Open Access  
  Notes Fwo; Esteem 026019 Approved Most recent IF: 13.858; 2012 IF: 10.677  
  Call Number UA @ lucian @ c:irua:98947UA @ admin @ c:irua:98947 Serial 153  
Permanent link to this record
 

 
Author Neyts, E.C.; van Duin, A.C.T.; Bogaerts, A. pdf  doi
openurl 
  Title Changing chirality during single-walled carbon nanotube growth : a reactive molecular dynamics/Monte Carlo study Type A1 Journal article
  Year 2011 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 133 Issue 43 Pages 17225-17231  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The growth mechanism and chirality formation of a single-walled carbon nanotube (SWNT) on a surface-bound nickel nanocluster are investigated by hybrid reactive molecular dynamics/force-biased Monte Carlo simulations. The validity of the interatomic potential used, the so-called ReaxFF potential, for simulating catalytic SWNT growth is demonstrated. The SWNT growth process was found to be in agreement with previous studies and observed to proceed through a number of distinct steps, viz., the dissolution of carbon in the metallic particle, the surface segregation of carbon with the formation of aggregated carbon clusters on the surface, the formation of graphitic islands that grow into SWNT caps, and finally continued growth of the SWNT. Moreover, it is clearly illustrated in the present study that during the growth process, the carbon network is continuously restructured by a metal-mediated process, thereby healing many topological defects. It is also found that a cap can nucleate and disappear again, which was not observed in previous simulations. Encapsulation of the nanoparticle is observed to be prevented by the carbon network migrating as a whole over the cluster surface. Finally, for the first time, the chirality of the growing SWNT cap is observed to change from (11,0) over (9,3) to (7,7). It is demonstrated that this change in chirality is due to the metal-mediated restructuring process.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000297380900026 Publication Date 2011-10-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 116 Open Access  
  Notes Approved Most recent IF: 13.858; 2011 IF: 9.907  
  Call Number UA @ lucian @ c:irua:92043 Serial 309  
Permanent link to this record
 

 
Author Tran, M.L.; Centeno, S.P.; Hutchison, J.A.; Engelkamp, H.; Liang, D.; Van Tendeloo, G.; Sels, B.F.; Hofkens, J.; Uji-i, H. pdf  doi
openurl 
  Title Control of surface plasmon localization via self-assembly of silver nanoparticles along silver nanowires Type A1 Journal article
  Year 2008 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 130 Issue 51 Pages 17240-17241  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A simple and low-cost method to create metal−metal hybrid nanostructures possessing fairly regularly spaced hot-spots of surface plasmon resonances is proposed. The nanohybrid structure was prepared via self-assembly during a simple drop-casting procedure, using chemically synthesized silver nanowires and silver nanoparticles prepared in a single batch of a polyol process. Wide field illumination of these nanohybrids produced hot-spots with spacings of around 500 nm to 1 ìm. The intensity of the emission/scattering from the hot-spots fluctuates over time. The proposed structure can be useful for the development of molecular-sensors or as a substrate for surface enhanced Raman/fluorescence spectroscopy.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000263320600018 Publication Date 2008-12-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 51 Open Access  
  Notes Fwo – G.0366.06; Fwo – Iap-Vi/27 Approved Most recent IF: 13.858; 2008 IF: 8.091  
  Call Number UA @ lucian @ c:irua:75946 Serial 498  
Permanent link to this record
 

 
Author Wee, L.H.; Wiktor, C.; Turner, S.; Vanderlinden, W.; Janssens, N.; Bajpe, S.R.; Houthoofd, K.; Van Tendeloo, G.; De Feyter, S.; Kirschhock, C.E.A.; Martens, J.A.; pdf  doi
openurl 
  Title Copper benzene tricarboxylate metal-organic framework with wide permanent mesopores stabilized by keggin polyoxometallate ions Type A1 Journal article
  Year 2012 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 134 Issue 26 Pages 10911-10919  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Porous solids with organized multiple porosity are of scientific and technological importance for broadening the application range from traditional areas of catalysis and adsorption/separation to drug release and biomedical imaging. Synthesis of crystalline porous materials offering a network of uniform micro- and mesopores remains a major scientific challenge. One strategy is based on variation of synthesis parameters of microporous networks, such as, for example, zeolites or metal organic frameworks (MOFs). Here, we show the rational development of an hierarchical variant of the microporous cubic Cu-3(BTC)(2) (BTC = 1,3,5-benzenetricarboxylate) HKUST-1 MOF having strictly repetitive S inn wide mesopores separated by uniform microporous walls in a single crystal structure. This new material coined COK-15 (COK = Centrum voor Oppervlaktechemie en Katalyse) was synthesized via a dual-templating approach. Stability was enhanced by Keggin type phosphotungstate (HPW) systematically occluded in the cavities constituting the walls between the mesopores.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000305863900037 Publication Date 2012-06-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 83 Open Access  
  Notes Iap; Fwo Approved Most recent IF: 13.858; 2012 IF: 10.677  
  Call Number UA @ lucian @ c:irua:100330 Serial 514  
Permanent link to this record
 

 
Author Gasparotto, A.; Barreca, D.; Bekermann, D.; Devi, A.; Fischer, R.A.; Fornasiero, P.; Gombac, V.; Lebedev, O.I.; Maccato, C.; Montini, T.; Van Tendeloo, G.; Tondello, E. pdf  doi
openurl 
  Title F-doped Co3O4 photocatalysts for sustainable H2 generation from water/ethanol Type A1 Journal article
  Year 2011 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 133 Issue 48 Pages 19362-19365  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract p-Type Co3O4 nanostructured films are synthesized by a plasma-assisted process and tested in the photocatalytic production of H2 from water/ethanol solutions under both near-UV and solar irradiation. It is demonstrated that the introduction of fluorine into p-type Co3O4 results in a remarkable performance improvement with respect to the corresponding undoped oxide, highlighting F-doped Co3O4 films as highly promising systems for hydrogen generation. Notably, the obtained yields were among the best ever reported for similar semiconductor-based photocatalytic processes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000297606500027 Publication Date 2011-11-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 114 Open Access  
  Notes Approved Most recent IF: 13.858; 2011 IF: 9.907  
  Call Number UA @ lucian @ c:irua:93628 Serial 1164  
Permanent link to this record
 

 
Author Zaikina, J.V.; Batuk, M.; Abakumov, A.M.; Navrotsky, A.; Kauziarich, S.M. pdf  url
doi  openurl
  Title Facile synthesis of Ba1-xKxFe2As2 superconductors via hydride route Type A1 Journal article
  Year 2014 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 136 Issue 48 Pages 16932-16939  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We have developed a fast, easy, and scalable synthesis method for Ba1xKxFe2As2 (0 ≤ x ≤ 1) superconductors using hydrides BaH2 and KH as a source of barium and potassium metals. Synthesis from hydrides provides better mixing and easier handling of the starting materials, consequently leading to faster reactions and/or lower synthesis temperatures. The reducing atmosphere provided by the evolved hydrogen facilitates preparation of oxygen-free powders. By a combination of methods we have shown that Ba1xKxFe2As2 obtained via hydride route has the same characteristics as when it is prepared by traditional solid-state synthesis. Refinement from synchrotron powder X-ray diffraction data confirms a linear dependence of unit cell parameters upon K content as well as the tetragonal to orthorhombic transition at low temperatures for compositions with x < 0.2. Magnetic measurements revealed dome-like dependence of superconducting transition temperature Tc upon K content with a maximum of 38 K for x close to 0.4. Electron diffraction and high-resolution high-angle annular dark-field scanning transmission electron microscopy indicates an absence of Ba/K ordering, while local inhomogeneity in the Ba/K distribution takes place at a scale of several angstroms along [110] crystallographic direction.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000345883900040 Publication Date 2014-11-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 13 Open Access  
  Notes Approved Most recent IF: 13.858; 2014 IF: 12.113  
  Call Number UA @ lucian @ c:irua:121331 Serial 1169  
Permanent link to this record
 

 
Author Navulla, A.; Tsirlin, A.A.; Abakumov, A.M.; Shpanchenko, R.V.; Zhang, H.; Dikarev, E.V. doi  openurl
  Title Fluorinated heterometallic \beta-diketonates as volatile single-source precursors for the synthesis of low-valent mixed-metal fluorides Type A1 Journal article
  Year 2011 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 133 Issue 4 Pages 692-694  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Hexafluoroacetylacetonates that contain lead and divalent first-row transition metals, PbM(hfac)4 (M = Ni (1), Co (2), Mn (3), Fe (4), and Zn (5)), have been synthesized. Their heterometallic structures are held together by strong Lewis acid−base interactions between metal atoms and diketonate ligands acting in chelating−bridging fashion. Compounds 1−5 are highly volatile and decompose below 350 °C. Fluorinated heterometallic β-diketonates have been used for the first time as volatile single-source precursors for the preparation of mixed-metal fluorides. Complex fluorides of composition Pb2MF6 have been obtained by decomposition of 1−5 in a two-zone furnace under low-pressure nitrogen flow. Lead−transition metal fluorides conform to orthorhombically distorted Aurivillius-type structure with layers of corner-sharing [MF6] octahedra separated by α-PbO-type (Pb2F2) blocks. Pb2NiF6 and Pb2CoF6 were found to exhibit magnetic ordering below 80 and 43 K, respectively. The ordering is antiferromagnetic, with a weak, uncompensated moment due to the canting of spins. The Pb2MF6 fluorides represent a new class of prospective magnetoelectric materials combining transition metals and lone-pair main-group cations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000287295300015 Publication Date 2010-12-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 28 Open Access  
  Notes Approved Most recent IF: 13.858; 2011 IF: 9.907  
  Call Number UA @ lucian @ c:irua:88820 Serial 1236  
Permanent link to this record
 

 
Author Herkelrath, S.J.C.; Saratovsky, I.; Hadermann, J.; Clarke, S.J. doi  openurl
  Title Fragmentation of an infinite ZnO2 square plane into discrete [ZnO2]2- linear units in the oxyselenide Ba2ZnO2Ag2Se2 Type A1 Journal article
  Year 2008 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 130 Issue 44 Pages 14426-14427  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Analysis of single crystal X-ray diffraction, neutron powder diffraction, electron diffraction and Zn−K-edge EXAFS data show that Ba2ZnO2Ag2Se2 contains unusual isolated [ZnO2]2− moieties resulting from fragmentation of a ZnO2 infinite plane placed under tension.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000260533400037 Publication Date 2008-10-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 13 Open Access  
  Notes Approved Most recent IF: 13.858; 2008 IF: 8.091  
  Call Number UA @ lucian @ c:irua:72947 Serial 1273  
Permanent link to this record
 

 
Author Esken, D.; Turner, S.; Wiktor, C.; Kalidindi, S.B.; Van Tendeloo, G.; Fischer, R.A. pdf  doi
openurl 
  Title GaN@ZIF-8 : selective formation of gallium nitride quantum dots inside a zinc methylimidazolate framework Type A1 Journal article
  Year 2011 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 133 Issue 41 Pages 16370-16373  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The microporous zeolitic imidazolate framework [Zn(MeIM)2; ZIF-8; MeIM = imidazolate-2-methyl] was quantitatively loaded with trimethylamine gallane [(CH3)3NGaH3]. The obtained inclusion compound [(CH3)3NGaH3]@ZIF-8 reveals three precursor molecules per host cavity. Treatment with ammonia selectively yields the caged cyclotrigallazane intermediate (H2GaNH2)3@ZIF-8, and further annealing gives GaN@ZIF-8. This new composite material was characterized with FT-IR spectroscopy, solid-state NMR spectroscopy, powder X-ray diffraction, elemental analysis, (scanning) transmission electron microscopy combined with electron energy-loss spectroscopy, photoluminescence (PL) spectroscopy, and N2 sorption measurements. The data give evidence for the presence of GaN nanoparticles (13 nm) embedded in the cavities of ZIF-8, including a blue-shift of the PL emission band caused by the quantum size effect.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000295997500014 Publication Date 2011-09-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 82 Open Access  
  Notes Hercules Approved Most recent IF: 13.858; 2011 IF: 9.907  
  Call Number UA @ lucian @ c:irua:93582 Serial 1315  
Permanent link to this record
 

 
Author Ustarroz, J.; Hammons, J.A.; Altantzis, T.; Hubin, A.; Bals, S.; Terryn, H. pdf  doi
openurl 
  Title A generalized electrochemical aggregative growth mechanism Type A1 Journal article
  Year 2013 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 135 Issue 31 Pages 11550-11561  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The early stages of nanocrystal nucleation and growth are still an active field of research and remain unrevealed. In this work, by the combination of aberration-corrected transmission electron microscopy (TEM) and electrochemical characterization of the electrodeposition of different metals, we provide a complete reformulation of the VolmerWeber 3D island growth mechanism, which has always been accepted to explain the early stages of metal electrodeposition and thin-film growth on low-energy substrates. We have developed a Generalized Electrochemical Aggregative Growth Mechanism which mimics the atomistic processes during the early stages of thin-film growth, by incorporating nanoclusters as building blocks. We discuss the influence of new processes such as nanocluster self-limiting growth, surface diffusion, aggregation, and coalescence on the growth mechanism and morphology of the resulting nanostructures. Self-limiting growth mechanisms hinder nanocluster growth and favor coalescence driven growth. The size of the primary nanoclusters is independent of the applied potential and deposition time. The balance between nucleation, nanocluster surface diffusion, and coalescence depends on the material and the overpotential, and influences strongly the morphology of the deposits. A small extent of coalescence leads to ultraporous dendritic structures, large surface coverage, and small particle size. Contrarily, full recrystallization leads to larger hemispherical monocrystalline islands and smaller particle density. The mechanism we propose represents a scientific breakthrough from the fundamental point of view and indicates that achieving the right balance between nucleation, self-limiting growth, cluster surface diffusion, and coalescence is essential and opens new, exciting possibilities to build up enhanced supported nanostructures using nanoclusters as building blocks.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000323019400034 Publication Date 2013-06-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 124 Open Access  
  Notes Fow; Hercules Approved Most recent IF: 13.858; 2013 IF: 11.444  
  Call Number UA @ lucian @ c:irua:109453 Serial 1323  
Permanent link to this record
 

 
Author Neyts, E.C.; van Duin, A.C.T.; Bogaerts, A. pdf  doi
openurl 
  Title Insights in the plasma-assisted growth of carbon nanotubes through atomic scale simulations : effect of electric field Type A1 Journal article
  Year 2012 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 134 Issue 2 Pages 1256-1260  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Carbon nanotubes (CNTs) are nowadays routinely grown in a thermal CVD setup. State-of-the-art plasma-enhanced CVD (PECVD) growth, however, offers advantages over thermal CVD. A lower growth temperature and the growth of aligned freestanding single-walled CNTs (SWNTs) makes the technique very attractive. The atomic scale growth mechanisms of PECVD CNT growth, however, remain currently entirely unexplored. In this contribution, we employed molecular dynamics simulations to focus on the effect of applying an electric field on the SWNT growth process, as one of the effects coming into play in PECVD. Using sufficiently strong fields results in (a) alignment of the growing SWNTs, (b) a better ordering of the carbon network, and (c) a higher growth rate relative to thermal growth rate. We suggest that these effects are due to the small charge transfer occurring in the Ni/C system. These simulations constitute the first study of PECVD growth of SWNTs on the atomic level.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000301084300086 Publication Date 2011-11-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 56 Open Access  
  Notes Approved Most recent IF: 13.858; 2012 IF: 10.677  
  Call Number UA @ lucian @ c:irua:97163 Serial 1673  
Permanent link to this record
 

 
Author Dixon, E.; Hadermann, J.; Ramos, S.; Goodwin, A.L.; Hayward, M.A. doi  openurl
  Title Mn(I) in an extended oxide : the synthesis and characterization of La1-xCaxMnO2+\delta (0.6\leq x\leq1) Type A1 Journal article
  Year 2011 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 133 Issue 45 Pages 18397-18405  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Reduction of La1xCaxMnO3 (0.6 ≤ x ≤ 1) perovskite phases with sodium hydride yields materials of composition La1xCaxMnO2+δ. The calcium-rich phases (x = 0.9, 1) adopt (La0.9Ca0.1)0.5Mn0.5O disordered rocksalt structures. However local structure analysis using reverse Monte Carlo refinement of models against pair distribution functions obtained from neutron total scattering data reveals lanthanum-rich La1xCaxMnO2+δ (x = 0.6, 0.67, 0.7) phases adopt disordered structures consisting of an intergrowth of sheets of MnO6 octahedra and sheets of MnO4 tetrahedra. X-ray absorption data confirm the presence of Mn(I) centers in La1xCaxMnO2+δ phases with x < 1. Low-temperature neutron diffraction data reveal La1xCaxMnO2+δ (x = 0.6, 0.67, 0.7) phases become antiferromagnetically ordered at low temperature.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000297381200065 Publication Date 2011-10-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 33 Open Access  
  Notes Approved Most recent IF: 13.858; 2011 IF: 9.907  
  Call Number UA @ lucian @ c:irua:94030 Serial 2094  
Permanent link to this record
 

 
Author Justo, Y.; Goris, B.; Sundar Kamal, J.; Geiregat, P.; Bals, S.; Hens, Z. pdf  doi
openurl 
  Title Multiple dot-in-rod PbS/CdS heterostructures with high photoluminescence quantum yield in the near-infrared Type A1 Journal article
  Year 2012 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 134 Issue 12 Pages 5484-5487  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Pb cations in PbS quantum rods made from CdS quantum rods by successive complete cationic exchange reactions are partially re-exchanged for Cd cations. Using STEM-HAADF, we show that this leads to the formation of unique multiple dot-in-rod PbS/CdS heteronanostructures, with a photoluminescence quantum yield of 4555%. We argue that the formation of multiple dot-in-rods is related to the initial polycrystallinity of the PbS quantum rods, where each PbS crystallite transforms in a separate PbS/CdS dot-in-dot. Effective mass modeling indicates that electronic coupling between the different PbS conduction band states is feasible for the multiple dot-in-rod geometries obtained, while the hole states remain largely uncoupled.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000302489500015 Publication Date 2012-03-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 41 Open Access  
  Notes Fwo; Iap Approved Most recent IF: 13.858; 2012 IF: 10.677  
  Call Number UA @ lucian @ c:irua:96957 Serial 2226  
Permanent link to this record
 

 
Author Li, M.R.; Adem, U.; McMitchell, S.R.C.; Xu, Z.; Thomas, C.I.; Warren, J.E.; Giap, D.V.; Niu, H.; Wan, X.; Palgrave, R.G.; Schiffmann, F.; Cora, F.; Slater, B.; Burnett, T.L.; Cain, M.G.; Abakumov, A.M.; Van Tendeloo, G.; Thomas, M.F.; Rosseinsky, M.J.; Claridge, J.B.; doi  openurl
  Title A polar corundum oxide displaying weak ferromagnetism at room temperature Type A1 Journal article
  Year 2012 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 134 Issue 8 Pages 3737-3747  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Combining long-range magnetic order with polarity in the same structure is a prerequisite for the design of (magnetoelectric) multiferroic materials. There are now several demonstrated strategies to achieve this goal, but retaining magnetic order above room temperature remains a difficult target. Iron oxides in the +3 oxidation state have high magnetic ordering temperatures due to the size of the coupled moments. Here we prepare and characterize ScFeO3 (SFO), which under pressure and in strain-stabilized thin films adopts a polar variant of the corundum structure, one of the archetypal binary oxide structures. Polar corundum ScFeO3 has a weak ferromagnetic ground state below 356 K-this is in contrast to the purely antiferromagnetic ground state adopted by the well-studied ferroelectric BiFeO3.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000301161600027 Publication Date 2012-01-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 48 Open Access  
  Notes Approved Most recent IF: 13.858; 2012 IF: 10.677  
  Call Number UA @ lucian @ c:irua:97200 Serial 2658  
Permanent link to this record
 

 
Author Subban, C.V.; Ati, M.; Rousse, G.; Abakumov, A.M.; Van Tendeloo, G.; Janot, R.; Tarascon, J.-M. doi  openurl
  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 (down) 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  
Permanent link to this record
 

 
Author Bals, S.; Batenburg, K.J.; Liang, D.; Lebedev, O.; Van Tendeloo, G.; Aerts, A.; Martens, J.A.; Kirschhock, C.E. pdf  doi
openurl 
  Title Quantitative three-dimensional modeling of zeotile through discrete electron tomography Type A1 Journal article
  Year 2009 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 131 Issue 13 Pages 4769-4773  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab  
  Abstract Discrete electron tomography is a new approach for three-dimensional reconstruction of nanoscale objects. The technique exploits prior knowledge of the object to be reconstructed, which results in an improvement of the quality of the reconstructions. Through the combination of conventional transmission electron microscopy and discrete electron tomography with a model-based approach, quantitative structure determination becomes possible. In the present work, this approach is used to unravel the building scheme of Zeotile-4, a silica material with two levels of structural order. The layer sequence of slab-shaped building units could be identified. Successive layers were found to be related by a rotation of 120°, resulting in a hexagonal space group. The Zeotile-4 material is a demonstration of the concept of successive structuring of silica at two levels. At the first level, the colloid chemical properties of Silicalite-1 precursors are exploited to create building units with a slablike geometry. At the second level, the slablike units are tiled using a triblock copolymer to serve as a mesoscale structuring agent.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000264806300050 Publication Date 2009-03-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 58 Open Access  
  Notes Fwo; Iap; Esteem 026019 Approved Most recent IF: 13.858; 2009 IF: 8.580  
  Call Number UA @ lucian @ c:irua:76393 Serial 2767  
Permanent link to this record
 

 
Author Schröder, F.; Esken, D.; Cokoja, M.; van den Berg, M.W.E.; Lebedev, O.I.; Van Tendeloo, G.; Walaszek, B.; Buntkowsky, G.; Limbach, H.H.; Chaudret, B.; Fischer, R.A.; pdf  doi
openurl 
  Title Ruthenium nanoparticles inside porous (Zn40(bdC)(3)) by hydrogenolysis of adsorbed (Ru(cod)(cot)): a solid-state reference system for surfactant-stabilized ruthenium colloids Type A1 Journal article
  Year 2008 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 130 Issue 19 Pages 6119-6130  
  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 000255620200018 Publication Date 2008-04-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 272 Open Access  
  Notes Esteem 026019 Approved Most recent IF: 13.858; 2008 IF: 8.091  
  Call Number UA @ lucian @ c:irua:68851 Serial 2934  
Permanent link to this record
 

 
Author Quintana, M.; Grzelczak, M.; Spyrou, K.; Calvaresi, M.; Bals, S.; Kooi, B.; Van Tendeloo, G.; Rudolf, P.; Zerbetto, F.; Prato, M. doi  openurl
  Title A simple road for the transformation of few-layer graphene into MWNTs Type A1 Journal article
  Year 2012 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 134 Issue 32 Pages 13310-13315  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We report the direct formation of multiwalled carbon nanotubes (MWNT) by ultrasonication of graphite in dimethylformamide (DMF) upon addition of ferrocene aldehyde (Fc-CHO). The tubular structures appear exclusively at the edges of graphene layers and contain Fe clusters. Pc in conjunction with benzyl aldehyde, or other Fc derivatives, does not induce formation of NT. Higher amounts of Fc-CHO added to the dispersion do not increase significantly MWNT formation. Increasing the temperature reduces the amount of formation of MWNTs and shows the key role of ultrasound-induced cavitation energy. It is concluded that Fc-CHO first reduces the concentration of radical reactive species that slice graphene into small moieties, localizes itself at the edges of graphene, templates the rolling up of a sheet to form a nanoscroll, where it remains trapped, and finally accepts and donates unpaired electron to the graphene edges and converts the less stable scroll into a MWNT. This new methodology matches the long held notion that CNTs are rolled up graphene layers. The proposed mechanism is general and will lead to control the production of carbon nanostructures by simple ultrasonication treatments.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000307487200034 Publication Date 2012-05-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 56 Open Access  
  Notes This work was supported by the University of Trieste, the Italian Ministry of Education MIUR (cofin Prot. 20085M27SS), the European Union through the ERC grant No. 246791 – COUNTATOMS, the grant agreement for an Integrated Infrastructure Initiative N. 262348 ESMI, and the “Graphene-based electronics” research program of the Foundation for Fundamental Research on Matter (FOM). Approved Most recent IF: 13.858; 2012 IF: 10.677  
  Call Number UA @ lucian @ c:irua:101109 Serial 3003  
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