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Author (up) Serrano-Montes, A.B.; Langer, J.; Henriksen-Lacey, M.; Jimenez de Aberasturi, D.; Solís, D.M.; Taboada, J.M.; Obelleiro, F.; Sentosun, K.; Bals, S.; Bekdemir, A.; Stellacci, F.; Liz-Marzán, L.M.
Title Gold Nanostar-Coated Polystyrene Beads as Multifunctional Nanoprobes for SERS Bioimaging Type A1 Journal article
Year 2016 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 120 Issue 120 Pages 20860-20868
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Hybrid colloidal nanocomposites comprising polystyrene beads and plasmonic gold nanostars are reported as multifunctional optical nanoprobes. Such self-assembled structures are excellent Raman enhancers for bio-applications as they feature plasmon modes in the near infrared “first biological transparency window”. In this proof of concept study, we used 4- mercaptobenzoic acid as a Raman-active molecule to optimize the density of gold nanostars on polystyrene beads, improving SERS performance and thereby allowing in vitro cell culture imaging. Interestingly, intermediate gold nanostar loadings were found to yield higher SERS response, which was confirmed by electromagnetic modeling. These engineered hybrid nanostructures notably improve the possibilities of using gold nanostars as SERS tags. Additionally, when fluorescently labeled polystyrene bead are used as colloidal carriers, the composite particles can be applied as promising tools for multimodal bioimaging.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000384034600045 Publication Date 2016-05-22
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 64 Open Access OpenAccess
Notes Funding is acknowledged from the European Commission (Grant #310445-2 SAVVY), the European Research Council (ERC Advanced Grant #267867 Plasmaquo, and ERC Starting Grant #335078 Colouratom) and the Spanish MINECO (Project MAT2013-46101-R). We thank IKERLAT Polymers for the non-fluorescent PS beads and Prof. Juan Mareque, Prof. Soledad Penades and Dr. Sergio Moya (CIC biomagune) for borrowing various cell lines. D.M.S., J.M.T, and F.O. acknowledge funding from the European Regional Development Fund (ERDF) and the Spanish MINECO (Projects MAT2014-58201-C2-1-R, MAT2014- 58201-C2-2-R), from the ERDF and the Galician Regional Government under agreement for funding the Atlantic Research Center for Information and Communication Technologies (AtlantTIC), and from the ERDF and the Extremadura Regional Government (Junta de Extremadura) under Project IB13185. (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ; ECAS_Sara; Approved Most recent IF: 4.536
Call Number c:irua:133952 Serial 4082
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Author (up) Serrano-Sevillano, J.; Reynaud, M.; Saracibar, A.; Altantzis, T.; Bals, S.; van Tendeloo, G.; Casas-Cabanas, M.
Title Enhanced electrochemical performance of Li-rich cathode materials through microstructural control Type A1 Journal article
Year 2018 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 20 Issue 20 Pages 23112-23122
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The microstructural complexity of Li-rich cathode materials has so far hampered understanding the critical link between size, morphology and structural defects with both capacity and voltage fadings that this family of materials exhibits. Li2MnO3 is used here as a model material to extract reliable structure–property

relationships that can be further exploited for the development of high-performing and long-lasting Li-rich oxides. A series of samples with microstructural variability have been prepared and thoroughly characterized using the FAULTS software, which allows quantification of planar defects and extraction of

average crystallite sizes. Together with transmission electron microscopy (TEM) and density functional theory (DFT) results, the successful application of FAULTS analysis to Li2MnO3 has allowed rationalizing the synthesis conditions and identifying the individual impact of concurrent microstructural features on

both voltage and capacity fadings, a necessary step for the development of high-capacity Li-ion cathode materials with enhanced cycle life.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000445220500071 Publication Date 2018-08-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 36 Open Access OpenAccess
Notes This work was supported by the Spanish Ministerio de la Economı´a y de la Competitividad through the project IONSTORE (MINECO ref. ENE2016-81020-R). The research leading to these results has received funding from the European Union Seventh Framework Programme under Grant Agreement 312483 – ESTEEM2 (Integrated Infrastructure Initiative-I3). JSS and AS are grateful for computing time provided by the Spanish i2Basque Centers. MR acknowledges the Spanish State for its financial support through her post-doctoral grant Juan de la Cierva – Formacio´n (MINECO ref. FJCI-2014-19990) and her international mobility grant Jose´ Castillejos (MECD ref. CAS15/00354). S. B. acknowledges funding from the European Research Council (ERC starting grant #335078 Colouratom) and T. A. a postdoctoral grant from the Research Foundation Flanders (FWO). (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); ecas_sara Approved Most recent IF: 4.123
Call Number EMAT @ emat @c:irua:154782UA @ admin @ c:irua:154782 Serial 5062
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Author (up) Sevik, C.; Çakir, D.; Gulseren, O.; Peeters, F.M.
Title Peculiar piezoelectric properties of soft two-dimensional materials Type A1 Journal article
Year 2016 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 120 Issue 120 Pages 13948-13953
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Group II-VI semiconductor honeycomb monolayers have a noncentrosymmetric crystal structure and therefore are expected to be important for nano piezoelectric device applications. This motivated us to perform first principles calculations based on density functional theory to unveil the piezoelectric properties (i.e., piezoelectric stress (e(11)) and piezoelectric strain (d(11)) coefficients) of these monolayer materials with chemical formula MX (where M = Be, Mg, Ca, Sr, Ba, Zr, Cd and X = S, Se, Te). We found that these two-dimensional materials have peculiar piezoelectric properties with d(11) coefficients 1 order of magnitude larger than those of commercially utilized bulk materials. A clear trend in their piezoelectric properties emerges, which
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000379457000010 Publication Date 2016-06-09
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 39 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Methusalem foundation of the Flemish government and the Bilateral program FWO-TUBITAK between Flanders and Turkey. We acknowledge the support from the Scientific and Technological Research Council of Turkey (TUBITAK-115F024). Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (Cal-cUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. C.S. acknowledges the support from the Scientific and Technological Research Council of Turkey (TUBITAK-113F333) and the support from Anadolu University (BAP-1407F335, -1505F200), and the Turkish Academy of Sciences (TUBA-GEBIP). ; Approved Most recent IF: 4.536
Call Number UA @ lucian @ c:irua:134948 Serial 4222
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Author (up) Shariat, M.; Shokri, B.; Neyts, E.C.
Title On the low-temperature growth mechanism of single walled carbon nanotubes in plasma enhanced chemical vapor deposition Type A1 Journal article
Year 2013 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
Volume 590 Issue Pages 131-135
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Despite significant progress in single walled carbon nanotube (SWCNT) production by plasma enhanced chemical vapor deposition (PECVD), the growth mechanism in this method is not clearly understood. We employ reactive molecular dynamics simulations to investigate how plasma-based deposition allows growth at low temperature. We first investigate the SWCNT growth mechanism at low and high temperatures under conditions similar to thermal CVD and PECVD. We then show how ion bombardment during the nucleation stage increases the carbon solubility in the catalyst at low temperature. Finally, we demonstrate how moderate energy ions sputter amorphous carbon allowing for SWCNT growth at 500 K. (C) 2013 Elsevier B. V. All rights reserved.
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Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000327721000024 Publication Date 2013-10-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.815 Times cited 14 Open Access
Notes Approved Most recent IF: 1.815; 2013 IF: 1.991
Call Number UA @ lucian @ c:irua:112775 Serial 2439
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Author (up) Sheath, B.C.; Xu, X.; Manuel, P.; Hadermann, J.; Batuk, M.; O'Sullivan, J.; Bonilla, R.S.; Clarke, S.J.
Title Structures and magnetic ordering in layered Cr oxide arsenides Sr₂CrO₂Cr₂OAs₂ and Sr₂CrO₃CrAs Type A1 Journal article
Year 2022 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 61 Issue 31 Pages 10-12385
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Two novel chromium oxide arsenide materials have been synthesized, Sr2CrO2Cr2OAs2 (i.e., Sr2Cr3As2O3) and Sr2CrO3CrAs (i.e., Sr2Cr2AsO3), both of which contain chromium ions in two distinct layers. Sr2CrO2Cr2OAs2 was targeted following electron microscopy measurements on a related phase. It crystallizes in the space group P4/mmm and accommodates distorted CrO4As2 octahedra containing Cr2+ and distorted CrO(2)As(4 )octahedra containing Cr3+. In contrast, Sr2CrO3CrAs incorporates Cr3+ in CrO5 square-pyramidal coordination in [Sr2CrO3](+) layers and Cr2+ ions in CrAs(4 )tetrahedra in [CrAs](-) layers and crystallizes in the space group P4/nmm. Powder neutron diffraction data reveal antiferromagnetic ordering in both compounds. In Sr2CrO3CrAs the Cr2+ moments in the [CrAs](-) layers exhibit long-range ordering, while the Cr3+ moments in the [Sr2CrO3](+) layers only exhibit short-range ordering. However, in Sr2CrO2Cr2OAs2, both the Cr(2+ )moments in the CrO4As2 environments and the Cr3+ moments in the CrO2As4 polyhedra are long-range-ordered below 530(10) K. Above this temperature, only the Cr3+ moments are ordered with a Neel temperature slightly in excess of 600 K. A subtle structural change is evident in Sr2CrO2Cr2OAs2 below the magnetic ordering transitions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000841943600001 Publication Date 2022-07-27
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 4.6 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 4.6
Call Number UA @ admin @ c:irua:190007 Serial 7215
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Author (up) Shenderova, O.; Koscheev, A.; Zaripov, N.; Petrov, I.; Skryabin, Y.; Detkov, P.; Turner, S.; Van Tendeloo, G.
Title Surface chemistry and properties of ozone-purified detonation nanodiamonds Type A1 Journal article
Year 2011 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 115 Issue 20 Pages 9827-9837
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Nanodiamond from ozone purification (NDO) demonstrates very distinctive properties within the class of detonation nanodiamonds, namely very high acidity and high colloidal stability in a broad pH range. To understand the origin of these unusual properties of NDO, the nature of the surface functional groups formed during detonation soot oxidation by ozone needs to be revealed. In this work, thermal desorption mass spectrometry (TDMS) and IR spectroscopy were used for the identification of surface groups and it was concluded that carboxylic anhydride groups prevail on the NDO surface. On the basis of the temperature profiles of the desorbed volatile products and their mass balance, it is hypothesized that decomposition of carboxylic anhydride groups from NDO during heating proceeds by two different mechanisms. Other distinctive features of NDO in comparison with air-treated nanodiamond are also reported.
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Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000290652200001 Publication Date 2011-04-28
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 105 Open Access
Notes Esteem 026019; Fwo Approved Most recent IF: 4.536; 2011 IF: 4.805
Call Number UA @ lucian @ c:irua:89556 Serial 3394
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Author (up) Shenderova, O.A.; Vlasov, I.I.; Turner, S.; Van Tendeloo, G.; Orlinskii, S.B.; Shiryaev, A.A.; Khomich, A.A.; Sulyanov, S.N.; Jelezko, F.; Wrachtrup, J.
Title Nitrogen control in nanodiamond produced by detonation shock-wave-assisted synthesis Type A1 Journal article
Year 2011 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 115 Issue 29 Pages 14014-14024
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Development of efficient production methods of nanodiamond (ND) particles containing substitutional nitrogen and nitrogen-vacancy (NV) complexes remains an important goal in the nanodiamond community. ND synthesized from explosives is generally not among the preferred candidates for imaging applications owing to lack of optically active particles containing NV centers. In this paper, we have systematically studied representative classes of NDs produced by detonation shock wave conversion of different carbon precursor materials, namely, graphite and a graphite/hexogen mixture into ND, as well as ND produced from different combinations of explosives using different cooling methods (wet or dry cooling). We demonstrate that (i) the N content in nanodiamond particles can be controlled through a correct selection of the carbon precursor material (addition of graphite, explosives composition); (ii) particles larger than approximately 20 nm may contain in situ produced optically active NV centers, and (iii) in ND produced from explosives, NV centers are detected only in ND produced by wet synthesis. ND synthesized from a mixture of graphite/explosive contains the largest amount of NV centers formed during synthesis and thus deserves special attention.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000292892500009 Publication Date 2011-06-08
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 54 Open Access
Notes Esteem 026019; Fwo Approved Most recent IF: 4.536; 2011 IF: 4.805
Call Number UA @ lucian @ c:irua:91259 Serial 2342
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Author (up) Shetty, S.; Sinha, S.K.; Ahmad, R.; Singh, A.K.; Van Tendeloo, G.; Ravishankar, N.
Title Existence of Ti2+States on the Surface of Heavily Reduced SrTiO3Nanocubes Type A1 Journal article
Year 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume Issue Pages acs.chemmater.7b04113
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Using advanced electron microscopy, we demonstrate the presence of Ti2+ on the 001 surfaces of heavily reduced strontium titanate nanocubes. While high-angle annular dark field images show a clear difference between the surfaces of the unreduced and reduced samples, electron energy loss spectroscopy detects the presence of Ti2+ on the surface of the reduced cubes. Conventional reduction only leads to the formation of Ti3+ and involves the use of high temperatures. In our case, reduction is achieved at relatively lower temperatures in the solid state using sodium borohydride as the reducing agent. Our findings provide insights into the optical properties of the samples and provide a convenient method to produce highly reduced surfaces that could demonstrate a range of exotic physical phenomena
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000418206600005 Publication Date 2017-11-17
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 8 Open Access OpenAccess
Notes We thank Advanced Facility for Microscopy and Microanalysis (AFMM), IISc, Bangalore for providing the TEM facility. We also thank MNCF, CeNSE, IISc for providing the XPS and FT-IR facilities. We acknowledge the help from Prof. Anshu Pandey for providing the PL facility and Mr. Ashutosh Gupta for the help with measurements. SS and NR thank DST for providing the financial support. RA and AKS acknowledge Super Computing Education and Research Center (SERC) and Materials Research Center (MRC), at IISc for providing required computational facilities. RA acknowledges the financial support from INSPIRE fellowship, AORC.Science and Engineering Research Board; Federaal Wetenschapsbeleid; Department of Science and Technology, Ministry of Science and Technology; Approved Most recent IF: 9.466
Call Number UA @ lucian @c:irua:147191 Serial 4767
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Author (up) Shirazi, M.; Bogaerts, A.; Neyts, E.C.
Title A DFT study of H-dissolution into the bulk of a crystalline Ni(111) surface: a chemical identifier for the reaction kinetics Type A1 Journal article
Year 2017 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 19 Issue 19 Pages 19150-19158
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this study, we investigated the diffusion of H-atoms to the subsurface and their further diffusion into the bulk of a Ni(111) crystal by means of density functional theory calculations in the context of thermal and plasma-assisted catalysis. The H-atoms at the surface can originate from the dissociative adsorption of H2 or CH4 molecules, determining the surface H-coverage. When a threshold H-coverage is passed, corresponding to 1.00 ML for the crystalline Ni(111) surface, the surface-bound H-atoms start to diffuse to the subsurface. A similar threshold coverage is observed for the interstitial H-coverage. Once the interstitial sites are filled up with a coverage above 1.00 ML of H, dissolution of interstitial H-atoms to the layer below the interstitial sites will be initiated. Hence, by applying a high pressure or inducing a reactive plasma and high temperature, increasing the H-flux to the surface, a large amount of hydrogen can diffuse in a crystalline metal like Ni and can be absorbed. The formation of metal hydride may modify the entire reaction kinetics of the system. Equivalently, the H-atoms in the bulk can easily go back to the surface and release a large amount of heat. In a plasma process, H-atoms are formed in the plasma, and therefore the energy barrier for dissociative adsorption is dismissed, thus allowing achievement of the threshold coverage without applying a high pressure as in a thermal process. As a result, depending on the crystal plane and type of metal, a large number of H-atoms can be dissolved (absorbed) in the metal catalyst, explaining the high efficiency of plasma-assisted catalytic reactions. Here, the mechanism of H-dissolution is established as a chemical identifier for the investigation of the reaction kinetics of a chemical process.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000406334300034 Publication Date 2017-06-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 10 Open Access OpenAccess
Notes Financial support from the Reactive Atmospheric Plasma processIng – eDucation (RAPID) network, through the EU 7th Framework Programme (grant agreement no. 606889), is gratefully acknowledged. The calculations were performed 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 Universiteit Antwerpen. Approved Most recent IF: 4.123
Call Number PLASMANT @ plasmant @ c:irua:144794 Serial 4633
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Author (up) Shpanchenko, R.V.; Abakumov, A.M.; Antipov, E.V.; Nistor, L.; Van Tendeloo, G.; Amelinckx, S.
Title Structural study of the new complex oxides Ba5-ySryR2-xAl2Zr1+xO13+x/2 (R=Gd-Lu, Y, Sc) Type A1 Journal article
Year 1995 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 118 Issue Pages 180-192
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1995RN49200028 Publication Date 2002-10-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.133 Times cited 8 Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:13315 Serial 3263
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Author (up) Shpanchenko, R.V.; Chernaya, V.V.; Antipov, E.V.; Hadermann, J.; Kaul, E.E.; Geibel, C.
Title Synthesis, structure and magnetic properties of the new mixed-valence vanadate Na2SrV3O9 Type A1 Journal article
Year 2003 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 173 Issue Pages 244-250
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000183489700032 Publication Date 2003-03-15
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 5 Open Access
Notes Approved Most recent IF: 2.299; 2003 IF: 1.413
Call Number UA @ lucian @ c:irua:42055 Serial 3461
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Author (up) Shpanchenko, R.V.; Chyornaya, V.V.; Abakumov, A.M.; Antipov, E.V.; Hadermann, J.; Van Tendeloo, G.; Kaul, E.; Geibel, C.; Sheptyakov, D.; Balagurov, A.M.
Title Crystal structure and magnetic properties of novel reduced V(IV)-based oxide Pb2V5O12 Type A1 Journal article
Year 2001 Publication Zeitschrift für anorganische und allgemeine Chemie Abbreviated Journal Z Anorg Allg Chem
Volume 627 Issue Pages 2143-2150
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Leipzig Editor
Language Wos 000171339000023 Publication Date 2002-08-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0044-2313;1521-3749; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.144 Times cited 4 Open Access
Notes Approved Most recent IF: 1.144; 2001 IF: 1.165
Call Number UA @ lucian @ c:irua:36048 Serial 560
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Author (up) Shpanchenko, R.V.; Nistor, L.; Van Tendeloo, G.; Amelinckx, S.; Antipov, E.V.; Kovba, L.M.
Title High resolution electron microscopic study of Ba7Sc6Al2O19 and related phases Type A1 Journal article
Year 1994 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 113 Issue Pages 193-203
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1994PP02200027 Publication Date 2002-10-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.133 Times cited 3 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:10036 Serial 1443
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Author (up) Shpanchenko, R.V.; Nistor, L.; Van Tendeloo, G.; van Landuyt, J.; Amelinckx, S.
Title Structural studies on new ternary oxides Ba8Ta4Ti3O24 and Ba10Ta7.04Ti1.2O30 Type A1 Journal article
Year 1995 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 114 Issue 2 Pages 560-574
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The ternary oxides Ba8Ta4Ti3O24 and Ba10Ta7.04Ti1.2O30 were synthesized and their crystal structures and defects were studied by means of X-ray powder diffraction, electron diffraction, and high resolution electron microscopy. The crystal structure of Ba8Ta4Ti3O24 is based on the 8H (cchc)(2) close-packed stacking (a 10.0314 Angstrom, c = 18.869 Angstrom, SG P6(3)/mcm, Z = 3) and that of Ba10Ta7.04Ti1.2O30 and on the 10H (cchcc)(2) close-packed stacking (a = 5.7981 Angstrom, c = 23.755 Angstrom, SG P6(3)/mmc, Z = 1) of BaO3 layers. The structural refinements gave the following values for the R factors for Ba8Ta4Ti3O24 (Ba10Ta7.04Ti1.2O30) R(I) = 0.041 (0.039), R(P) = 0.108 (0.118), and R(wP) = 0.094 (0.099). The main feature of both structures is the presence of two types of face-sharing octahedra (FSO) with different occupancies by Ta atoms, Ti atoms, and vacancies, which results in the formation of a superstructure. It was shown that in the Ba8Ta4Ti3O24 structure these pairs of FSO occur in an ordered fashion and in the Ba10Ta7.04Ti1.2O30 structure in a disordered fashion. The existence of the wide range of solid solutions was shown to be also a consequence of the presence of one of the two types of face-sharing octahedra. (C) 1995 Academic Press, Inc,
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1995QH33100040 Publication Date 2002-10-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.133 Times cited 23 Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:13289 Serial 3261
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Author (up) Shpanchenko, R.V.; Panin, R.V.; Hadermann, J.; Bougerol, C.; Takayama-Muromachi, E.; Antipov, E.V.
Title Synthesis and structure investigation of the Pb3V(PO4)3 eulytite Type A1 Journal article
Year 2005 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 178 Issue 12 Pages 3715-3721
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000234442100016 Publication Date 2005-11-03
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 17 Open Access
Notes Rfbr; Icdd; Iap V-1 Approved Most recent IF: 2.299; 2005 IF: 1.725
Call Number UA @ lucian @ c:irua:55029 Serial 3441
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Author (up) Shpanchenko, R.V.; Tsirlin, A.A.; Hadermann, J.; Antipov, E.V.
Title Synthesis and crystal structure of new titanyl phosphate Sr2TiO(PO4)2 Type A1 Journal article
Year 2008 Publication Russian chemical bulletin Abbreviated Journal Russ Chem B+
Volume 57 Issue 3 Pages 552-556
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract New strontium titanyl phosphate Sr2TiO(PO4)2 (1) was synthesized and characterized by X-ray powder diffraction, electron diffraction, high-resolution electron microscopy, and band structure calculations. Titanyl phosphate 1 is isostructural with vanadyl phosphate Sr2VO(PO4)2 and has a layered structure. The titanium atoms are shifted from the centers of the TiO6 octahedra and form short (1.74 Å) titanyl bonds. The structure of 1 is an unusual example of the disordered orientation of the chains formed by TiO6 octahedra in complex titanium phosphates.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000263566900015 Publication Date 2009-03-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1066-5285;1573-9171; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.529 Times cited 2 Open Access
Notes Approved Most recent IF: 0.529; 2008 IF: 0.469
Call Number UA @ lucian @ c:irua:73712 Serial 3423
Permanent link to this record
 
 
Author (up) Shpanchenko, R.V.; Tsirlin, A.A.; Kondakova, E.S.; Antipov, E.V.; Bougerol, C.; Hadermann, J.; Van Tendeloo, G.; Sakurai, H.; Takayama-Muromachi, E.
Title New germanates RCrGeO5 (R=NdEr, Y): synthesis, structure, and properties Type A1 Journal article
Year 2008 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 181 Issue 9 Pages 2433-2441
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The new complex germanates RCrGeO5 (R=NdEr, Y) have been synthesized and investigated by means of X-ray powder diffraction, electron microscopy, magnetic susceptibility and specific heat measurements. All the compounds are isostructural and crystallize in the orthorhombic symmetry, space group Pbam, and Z=4. The crystal structure of RCrGeO5, as refined using X-ray powder diffraction data, includes infinite chains built by edge-sharing Cr+3O6 octahedra with two alternating Cr−Cr distances. The chains are combined into a three-dimensional framework by Ge2O8 groups consisting of two edge-linked square pyramids oriented in opposite directions. The resulting framework contains pentagonal channels where rare-earth elements are located. Thus, RCrGeO5 germanates present new examples of RMn2O5-type compounds and show ordering of Cr+3 and Ge+4 cations. Electron diffraction as well as high-resolution electron microscopy confirm the structure solution. Magnetic susceptibility data for R=Nd, Sm, and Eu are qualitatively consistent with the presence of isolated 3d (antiferromagnetically coupled Cr+3 cations) and 4f (R+3) spin subsystems in the RCrGeO5 compounds. NdCrGeO5 undergoes long-range magnetic ordering at 2.6 K, while SmCrGeO5 and EuCrGeO5 do not show any phase transitions down to 2 K.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000259415800047 Publication Date 2008-06-06
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
Notes Approved Most recent IF: 2.299; 2008 IF: 1.910
Call Number UA @ lucian @ c:irua:72948 Serial 2314
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Author (up) Simon, Q.; Barreca, D.; Gasparotto, A.; Maccato, C.; Montini, T.; Gombac, V.; Fornasiero, P.; Lebedev, O.I.; Turner, S.; Van Tendeloo, G.
Title Vertically oriented CuO/ZnO nanorod arrays : from plasma-assisted synthesis to photocatalytic H2 production Type A1 Journal article
Year 2012 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem
Volume 22 Issue 23 Pages 11739-11747
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract 1D CuO/ZnO nanocomposites were grown on Si(100) substrates by means of an original two-step synthetic strategy. ZnO nanorod (NR) arrays were initially deposited by plasma enhanced-chemical vapor deposition (PE-CVD) from an ArO2 atmosphere. Subsequently, tailored amounts of CuO were dispersed over zinc oxide matrices by radio frequency (RF)-sputtering of Cu from Ar plasmas, followed by thermal treatment in air. A thorough characterization of the obtained systems was carried out by X-ray photoelectron and X-ray excited-Auger electron spectroscopies (XPS and XE-AES), glancing incidence X-ray diffraction (GIXRD), field emission-scanning electron microscopy (FE-SEM), energy dispersive X-ray spectroscopy (EDXS), atomic force microscopy (AFM), transmission electron microscopy (TEM), electron diffraction (ED) and energy filtered-TEM (EF-TEM). Pure and highly oriented CuO/ZnO NR arrays, free from ternary ZnCuO phases and characterized by a copper(II) oxide content controllable as a function of the adopted RF-power, were successfully obtained. Interestingly, the structural relationships between the two oxides at the CuO/ZnO interface were found to depend on the overall CuO loading. The obtained nanocomposites displayed promising photocatalytic performances in H2 production by reforming of ethanolwater solutions under simulated solar illumination, paving the way to the sustainable conversion of solar light into chemical energy.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000304351400046 Publication Date 2012-04-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 74 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:98382 Serial 3840
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Author (up) Singh, S.K.; Costamagna, S.; Neek-Amal, M.; Peeters, F.M.
Title Melting of partially fluorinated graphene : from detachment of fluorine atoms to large defects and random coils 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 4460-4464
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract The melting of fluorographene is very unusual and depends strongly on the degree of fluorination. For temperatures below 1000 K, fully fluorinated graphene (FFG) is thermomechanically more stable than graphene but at T-m approximate to 2800 K FFG transits to random coils which is almost 2 times lower than the melting temperature of graphene, i.e., 5300 K. For fluorinated graphene up to 30% ripples causes detachment of individual F-atoms around 2000 K, while for 40%-60% fluorination large defects are formed beyond 1500 K and beyond 60% of fluorination F-atoms remain bonded to graphene until melting. The results agree with recent experiments on the dependence of the reversibility of the fluorination process on the percentage of fluorination.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000332188100069 Publication Date 2014-01-22
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 16 Open Access
Notes ; This work was supported by the EU-Marie Curie IIF postdoc Fellowship/299855 (for M.N.-A.), the ESF-Eurographene project CONGRAN, and the Flemish Science Foundation (FWO-VI). Financial support from the Collaborative program MINCyT (Argentina)-FWO(Belgium) is also acknowledged. ; Approved Most recent IF: 4.536; 2014 IF: 4.772
Call Number UA @ lucian @ c:irua:128874 Serial 4600
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Author (up) Singh, S.K.; Neek-Amal, M.; Peeters, F.M.
Title Electronic properties of graphene nano-flakes : energy gap, permanent dipole, termination effect, and Raman spectroscopy Type A1 Journal article
Year 2014 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume 140 Issue 7 Pages 074304-74309
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The electronic properties of graphene nano-flakes (GNFs) with different edge passivation are investigated by using density functional theory. Passivation with F and H atoms is considered: C-Nc X-Nx (X = F or H). We studied GNFs with 10 < N-c < 56 and limit ourselves to the lowest energy configurations. We found that: (i) the energy difference Delta between the highest occupied molecular orbital and the lowest unoccupied molecular orbital decreases with N-c, (ii) topological defects (pentagon and heptagon) break the symmetry of the GNFs and enhance the electric polarization, (iii) the mutual interaction of bilayer GNFs can be understood by dipole-dipole interaction which were found sensitive to the relative orientation of the GNFs, (iv) the permanent dipoles depend on the edge terminated atom, while the energy gap is independent of it, and (v) the presence of heptagon and pentagon defects in the GNFs results in the largest difference between the energy of the spin-up and spin-down electrons which is larger for the H-passivated GNFs as compared to F-passivated GNFs. Our study shows clearly the effect of geometry, size, termination, and bilayer on the electronic properties of small GNFs. This study reveals important features of graphene nano-flakes which can be detected using Raman spectroscopy. (C) 2014 AIP Publishing LLC.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000332039900020 Publication Date 2014-02-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9606;1089-7690; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.965 Times cited 30 Open Access
Notes ; This work was supported by the EU-Marie Curie IIF postdoctoral Fellowship/ 299855 (for M. N.-A.), the ESF-EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Foundation of the Flemish Government. ; Approved Most recent IF: 2.965; 2014 IF: 2.952
Call Number UA @ lucian @ c:irua:115857 Serial 1002
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Author (up) Siriwardane, E.M.D.; Demiroglu, I.; Sevik, C.; Peeters, F.M.; Çakir, D.
Title Assessment of sulfur-functionalized MXenes for li-ion battery applications Type A1 Journal article
Year 2020 Publication Journal Of Physical Chemistry C Abbreviated Journal J Phys Chem C
Volume 124 Issue 39 Pages 21293-21304
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract The surface termination of MXenes greatly determines the electrochemical properties and ion kinetics on their surfaces. So far, hydroxyl-, oxygen-, and fluorine-terminated MXenes have been widely studied for energy storage applications. Recently, sulfur-functionalized MXene structures, which possess low diffusion barriers, have been proposed as candidate materials to enhance battery performance. We performed first-principles calculations on the structural, stability, electrochemical, and ion dynamic properties of Li-adsorbed sulfur-functionalized groups 3B, 4B, 5B, and 6B transition-metal (M)-based MXenes (i.e., M2CS2 with M = Sc, Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, and W). We performed phonon calculations, which indicated that all of the above M2CS2 MXenes, except for Sc, are dynamically stable at T = 0 K. The ground-state structure of each M2CS2 monolayer depends on the type of M atom. For instance, while sulfur prefers to sit at the FCC site on Ti2CS2, it occupies the HCP site of Cr-based MXene. We determined the Li adsorption configurations at different concentrations using the cluster expansion method. The highest maximum open-circuit voltages were computed for the group 4B element (i.e., Ti, Zr, and Hf)-based M2CS2, which are larger than 2.1 V, while their average voltages are approximately 1 V. The maximum voltage for the group 6B element (i.e., Cr, Mo, W)-based M2CS2 is less than 1 V, and the average voltage is less than 0.71 V. We found that S functionalization is helpful for capacity improvements over the O-terminated MXenes. In this respect, the computed storage gravimetric capacity may reach up to 417.4 mAh/g for Ti2CS2 and 404.5 mAh/g for V2CS2. Ta-, Cr-, Mo-, and W-based M2CS2 MXenes show very low capacities, which are less than 100 mAh/g. The Li surface diffusion energy barriers for all of the considered MXenes are less than 0.22 eV, which is favorable for high charging and discharging rates. Finally, ab initio molecular dynamic simulations performed at 400 K and bond-length analysis with respect to Li concentration verify that selected promising systems are robust against thermally induced perturbations that may induce structural transformations or distortions and undesirable Li release.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000577151900008 Publication Date 2020-09-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 24 Open Access
Notes ; Computational resources were provided by the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules Foundation. This work was supported, in part, by The Scientific and Technological Research Council of Turkey (TUBITAK) under contract no. 118F512 and the Air Force Office of Scientific Research under award no. FA9550-19-1-7048. This work was performed in part at the Center for Nanoscale Materials, a U.S. Department of Energy Office of Science User. Use of the Center for Nanoscale Materials, an Office of Science user facility, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract no. DE-AC02-06CH11357. This work was supported, in part, by The Scientific and Technological Research Council of Turkey (TUBITAK) under contract no. 118C026. ; Approved Most recent IF: 3.7; 2020 IF: 4.536
Call Number UA @ admin @ c:irua:172693 Serial 6452
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Author (up) Sirotina, A.P.; Callaert, C.; Volykhov, A.A.; Frolov, A.S.; Sanchez-Barriga, J.; Knop-Gericke, A.; Hadermann, J.; Yashina, L.V.
Title Mechanistic studies of gas reactions with multicomponent solids : what can we learn by combining NAP XPS and atomic resolution STEM/EDX? Type A1 Journal article
Year 2019 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 123 Issue 43 Pages 26201-26210
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Rapid development of experimental techniques has enabled real time studies of solid gas reactions at the level reaching the atomic scale. In the present paper, we focus on a combination of atomic resolution STEM/EDX, which visualizes the reaction zone, and near ambient pressure (NAP) XPS, which collects information for a surface layer of variable thickness under reaction conditions. We compare the behavior of two affined topological insulators, Bi2Te3 and Sb2Te3. We used a simple reaction with molecular oxygen occurring at 298 K, which is of practical importance to avoid material degradation. Despite certain limitations, a combination of in situ XPS and ex situ cross-sectional STEM/EDX allowed us to obtain a self-consistent picture of the solid gas reaction mechanism for oxidation of Sb2Te3 and Bi2Te3 crystals, which includes component redistribution between the oxide and the subsurface layer and Te segregation with formation of a thin ordered layer at the interface. The process is multistep in case of both compounds. At the very beginning of the oxidation process the reactivity is determined by the energy benefit of the corresponding element oxygen bond formation. Further in the oxidation process, the behavior of these two compounds becomes similar and features component redistribution between the oxide and the subsurface layer.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000493865700019 Publication Date 2019-10-03
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 Open Access
Notes Approved Most recent IF: 4.536
Call Number UA @ admin @ c:irua:164664 Serial 6310
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Author (up) Sivek, J.; Leenaerts, O.; Partoens, B.; Peeters, F.M.
Title First-principles investigation of bilayer fluorographene 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 36 Pages 19240-19245
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Ab initio calculations within the density functional theory formalism are performed to investigate the stability and electronic properties of fluorinated bilayer graphene (bilayer fluorographene). A comparison is made to previously investigated graphane, bilayer graphane, and fluorographene. Bilayer fluorographene is found to be a much more stable material than bilayer graphane. Its electronic band structure is similar to that of monolayer fluorographene, but its electronic band gap is significantly larger (about 1 eV). We also calculate the effective masses around the Gamma-point for fluorographene and bilayer fluorographene and find that they are isotropic, in contrast to earlier reports. Furthermore, it is found that bilayer fluorographene is almost as strong as graphene, as its 2D Young's modulus is approximately 300 N m(-1).
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000308631300022 Publication Date 2012-08-21
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 39 Open Access
Notes ; This work is supported by the ESF-Eurocores program EuroGRAPHENE (project CONERAN) and the Flemish Science Foundation (FWO-V1). ; Approved Most recent IF: 4.536; 2012 IF: 4.814
Call Number UA @ lucian @ c:irua:101842 Serial 1211
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Author (up) Skaggs, C.M.; Kang, C.-J.; Perez, C.J.; Hadermann, J.; Emge, T.J.; Frank, C.E.; Pak, C.; Lapidus, S.H.; Walker, D.; Kotliar, G.; Kauzlarich, S.M.; Tan, X.; Greenblatt, M.
Title Ambient and high pressure CuNiSb₂ : metal-ordered and metal-disordered NiAs-type derivative pnictides Type A1 Journal article
Year 2020 Publication Inorganic Chemistry Abbreviated Journal Inorg Chem
Volume 59 Issue 19 Pages 14058-14069
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The mineral Zlatogorite, CuNiSb2, was synthesized in the laboratory for the first time by annealing elements at ambient pressure (CuNiSb2-AP). Rietveld refinement of synchrotron powder X-ray diffraction data indicates that CuNiSb2-AP crystallizes in the NiAs-derived structure (P (3) over bar m1, #164) with Cu and Ni ordering. The structure consists of alternate NiSb6 and CuSb6 octahedral layers via face-sharing. The formation of such structure instead of metal disordered NiAs-type structure (P6(3)/mmc, #194) is validated by the lower energy of the ordered phase by first-principle calculations. Interatomic crystal orbital Hamilton population, electron localization function, and charge density analysis reveal strong Ni-Sb, Cu-Sb, and Cu-Ni bonding and long weak Sb-Sb interactions in CuNiSb2-AP. The magnetic measurement indicates that CuNiSb2-AP is Pauli paramagnetic. First-principle calculations and experimental electrical resistivity measurements reveal that CuNiSb2-AP is a metal. The low Seebeck coefficient and large thermal conductivity suggest that CuNiSb2 is not a potential thermoelectric material. Single crystals were grown by chemical vapor transport. The high pressure sample (CuNiSb2-8 GPa) was prepared by pressing CuNiSb2-AP at 700 degrees C and 8 GPa. However, the structures of single crystal and CuNiSb2-8 GPa are best fit with a disordered metal structure in the P (3) over bar m1 space group, corroborated by transmission electron microscopy.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000580381700028 Publication Date 2020-09-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record
Impact Factor 4.6 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 4.6; 2020 IF: 4.857
Call Number UA @ admin @ c:irua:174331 Serial 6714
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Author (up) Skaltsas, T.; Ke, X.; Bittencourt, C.; Tagmatarchis, N.
Title Ultrasonication induces oxygenated species and defects onto exfoliated graphene 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 44 Pages 23272-23278
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The effect of ultrasonication parameters, such as time and power applied, to exfoliate graphite in o-dichlorobenzene (o-DCB) and N-methyl-1,2-pyrrolidone (NMP) was examined. It was found that the concentration of graphene was higher in o-DCB, while its dispersibility was increased when sonication was applied for a longer period and/or at higher power. However, spectroscopic examination by X-ray photoelectron spectroscopy (XPS) revealed that ultrasonication causes defects and induces oxygen functional groups in the form of carboxylic acids and ethers/epoxides onto the graphene lattice. Additional proof for the latter arose from Raman, IR, and thermogravimetry studies. The carboxylic acids and ethers/epoxides onto exfoliated graphene were derived from air during ultrasonication and found independent of the solvent used for the exfoliation and the power and/or time ultrasonication applied. Quantitative evaluation of the amount of oxygenated species present on exfoliated graphene as performed by high-resolution XPS revealed that the relative oxygen percentage was higher when exfoliation was performed in NMP. Finally, the sonication time and/or power affected the oxygen content on exfoliated graphene, since extended ultrasonication resulted in a decrease in the oxygen content on exfoliated graphene, with a simultaneous increase of defected sp(3) carbon atoms.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000326845400090 Publication Date 2013-10-03
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 65 Open Access
Notes Approved Most recent IF: 4.536; 2013 IF: 4.835
Call Number UA @ lucian @ c:irua:112710 Serial 3797
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Author (up) Slaets, J.; Aghaei, M.; Ceulemans, S.; Van Alphen, S.; Bogaerts, A.
Title CO2and CH4conversion in “real” gas mixtures in a gliding arc plasmatron: how do N2and O2affect the performance? Type A1 Journal article
Year 2020 Publication Green Chemistry Abbreviated Journal Green Chem
Volume 22 Issue 4 Pages 1366-1377
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this paper we study dry reforming of methane (DRM) in a gliding arc plasmatron (GAP) in the presence of N<sub>2</sub>and O<sub>2</sub>. N<sub>2</sub>is added to create a stable plasma at equal fractions of CO<sub>2</sub>and CH<sub>4</sub>, and because emissions from industrial plants typically contain N<sub>2</sub>, while O<sub>2</sub>is added to enhance the process. We test different gas mixing ratios to evaluate the conversion and energy cost. We obtain conversions between 31 and 52% for CO<sub>2</sub>and between 55 and 99% for CH<sub>4</sub>, with total energy costs between 3.4 and 5.0 eV per molecule, depending on the gas mixture. This is very competitive when benchmarked with the literature. In addition, we present a chemical kinetics model to obtain deeper insight in the underlying plasma chemistry. This allows determination of the major reaction pathways to convert CO<sub>2</sub>and CH<sub>4</sub>, in the presence of O<sub>2</sub>and N<sub>2</sub>, into CO and H<sub>2</sub>. We show that N<sub>2</sub>assists in the CO<sub>2</sub>conversion, but part of the applied energy is also wasted in N<sub>2</sub>excitation. Adding O<sub>2</sub>enhances the CH<sub>4</sub>conversion, and lowers the energy cost, while the CO<sub>2</sub>conversion remains constant, and only slightly drops at the highest O<sub>2</sub>fractions studied, when CH<sub>4</sub>is fully oxidized into CO<sub>2</sub>.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000518034000032 Publication Date 2020-01-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9262 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.8 Times cited Open Access OpenAccess
Notes H2020 European Research Council, 810182 ; Fonds Wetenschappelijk Onderzoek, GoF9618n 12M7118N ; We acknowledge financial support from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No 810182 – SCOPE ERC Synergy project), the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023), and the FWO postdoctoral fellowship of M. A. (Grant number 12M7118N). This work was carried out 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. Approved Most recent IF: 9.8; 2020 IF: 9.125
Call Number PLASMANT @ plasmant @c:irua:167136 Serial 6339
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Author (up) Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R.
Title On the relative stabilities of the linear and triangular forms of B3N Type A1 Journal article
Year 1993 Publication Chemical physics Abbreviated Journal Chem Phys
Volume 178 Issue Pages 77-82
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1993MP94200006 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0301-0104; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.652 Times cited 9 Open Access
Notes Approved CHEMISTRY, MULTIDISCIPLINARY 65/163 Q2 # CRYSTALLOGRAPHY 10/26 Q2 #
Call Number UA @ lucian @ c:irua:6150 Serial 2453
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Author (up) Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R.
Title The structure, energetics, and harmonic vibrations of B3N Type A1 Journal article
Year 1993 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
Volume 201 Issue Pages 54-58
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1993KF37900010 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.897 Times cited 20 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:6145 Serial 3302
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Author (up) Sleegers, N.; van Nuijs, A.L.N.; van den Berg, M.; De Wael, K.
Title Cephalosporin antibiotics : electrochemical fingerprints and core structure reactions investigated by LC-MSMS Type A1 Journal article
Year 2019 Publication Analytical chemistry Abbreviated Journal Anal Chem
Volume 91 Issue 3 Pages 2035-2041
Keywords A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre
Abstract Electrochemistry and exploiting electrochemical fingerprints is a potent approach to address newly emerging surveillance needs, for instance for antibiotics. However, a comprehensive insight in the electrochemical oxidation behaviour and mechanism is re-quired for this sensing strategy. To address the lack in knowledge of the voltammetric behaviour of the cephalosporins antibiotics, a selection of cephalosporin antibiotics and two main intermediates were subjected to an electrochemical study of their redox behaviour by means of pulsed voltammetric techniques and small-scale electrolysis combined with HPLC-MS/MS analyses. Sur-prisingly, the detected oxidation products did not fit the earlier suggested oxidation of the sulfur group to the corresponding sul-foxide. The influence of different side chains, both at the three and the seven position of the β-lactam core structure on the elec-trochemical fingerprint were investigated. Additional oxidation signals at lower potentials were elucidated and linked to different side chains. These signals were further exploited to allow simultaneous detection of different cephalosporins in one voltammetric sweep. These fundamental insights can become the building blocks for an new on-site screening method.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000458220300055 Publication Date 2019-01-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.32 Times cited 6 Open Access
Notes ; The authors acknowledge financial support from the Fund for Scientific Research (FWO) Flanders, Grant 1S 37658 17N. ; Approved Most recent IF: 6.32
Call Number UA @ admin @ c:irua:156046 Serial 5497
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Author (up) Sleegers, N.; van Nuijs, A.L.N.; van den Berg, M.; De Wael, K.
Title Electrochemistry of intact versus degraded cephalosporin antibiotics facilitated by LC–MS analysis Type A1 Journal article
Year 2021 Publication Analytical Chemistry Abbreviated Journal Anal Chem
Volume 93 Issue 4 Pages 2394-2402
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre
Abstract The electrochemical detection of cephalosporins is a promising approach for the monitoring of cephalosporin levels in process waters. However, this class of antibiotics, like penicillins, is composed of chemically active molecules and susceptible to hydrolysis and aminolysis of the four membered β-lactam ring present. In order to develop a smart monitoring strategy for cephalosporins, the influence of degradation (hydrolysis and aminolysis) on the electrochemical fingerprint has to be taken into account. Therefore, an investigation was carried out to understand the changes of the voltammetric fingerprints upon acidic and alkaline degradation. Changes in fingerprints were correlated to the degradation pathways through the combination of square wave voltammetry and liquid chromatography quadrupole time-of-flight analysis. The characteristic electrochemical signals of the β-lactam ring disappeared upon hydrolysis. Additional oxidation signals that appeared after degradation were elucidated and linked to different degradation products, and therefore, enrich the voltammetric fingerprints with information of the state of the cephalosporins. The applicability of the electrochemical monitoring system was explored by the analysis of the intact and degraded industrial process waters containing the key intermediate 7-aminodeacetoxycephalosporanic acid (7-ADCA). Clearly, the intact process samples exhibited the expected core signals of 7-ADCA and could be quantified, while the degraded samples only showed the newly formed degradation products.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000618089100063 Publication Date 2021-01-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.32 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 6.32
Call Number UA @ admin @ c:irua:176206 Serial 7864
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