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Author Abdullah, H.M.; Bahlouli, H.; Peeters, F.M.; Van Duppen, B.
Title Confined states in graphene quantum blisters Type A1 Journal article
Year 2018 Publication Journal of physics : condensed matter Abbreviated Journal (down) J Phys-Condens Mat
Volume 30 Issue 38 Pages 385301
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Bilayer graphene samples may exhibit regions where the two layers are locally delaminated forming a so-called quanttun blister in the graphene sheet. Electron and hole states can be confined in this graphene quantum blisters (GQB) by applying a global electrostatic bias. We scrutinize the electronic properties of these confined states under the variation of interlayer bias, coupling, and blister's size. The spectra display strong anti-crossings due to the coupling of the confined states on upper and lower layers inside the blister. These spectra are layer localized where the respective confined states reside on either layer or equally distributed. For finite angular momentum, this layer localization can be at the edge of the blister and corresponds to degenerate modes of opposite momenta. Furthermore, the energy levels in GQB exhibit electron-hole symmetry that is sensitive to the electrostatic bias. Finally, we demonstrate that confinement in GQB persists even in the presence of a variation in the interlayer coupling.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000443135000001 Publication Date 2018-08-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 6 Open Access
Notes ; HMA and HB acknowledge the Saudi Center for Theoretical Physics (SCTP) for their generous support and the support of KFUPM under physics research group projects RG1502-1 and RG1502-2. This work is supported by the Flemish Science Foundation (FWO-Vl) by a post-doctoral fellowship (BVD). ; Approved Most recent IF: 2.649
Call Number UA @ lucian @ c:irua:153620UA @ admin @ c:irua:153620 Serial 5086
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Author Khalilov, U.; Bogaerts, A.; Hussain, S.; Kovacevic, E.; Brault, P.; Boulmer-Leborgne, C.; Neyts, E.C.
Title Nanoscale mechanisms of CNT growth and etching in plasma environment Type A1 Journal article
Year 2017 Publication Journal of physics: D: applied physics Abbreviated Journal (down) J Phys D Appl Phys
Volume 50 Issue 50 Pages 184001
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Plasma-enhanced chemical deposition (PECVD) of carbon nanotubes has already been shown to allow chirality control to some extent. In PECVD, however, etching may occur simultaneously with the growth, and the occurrence of intermediate processes further significantly complicates the growth process.

We here employ a computational approach with experimental support to study the plasma-based formation of Ni nanoclusters, Ni-catalyzed CNT growth and subsequent etching processes, in order to understand the underpinning nanoscale mechanisms. We find that hydrogen is the dominant factor in both the re-structuring of a Ni film and the subsequent appearance of Ni nanoclusters, as well as in the CNT nucleation and etching processes. The obtained results are compared with available theoretical and experimental studies and provide a deeper understanding of the occurring nanoscale mechanisms in plasma-assisted CNT nucleation and growth.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000398300900001 Publication Date 2017-04-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.588 Times cited 6 Open Access OpenAccess
Notes UK gratefully acknowledges financial support from the Research Foundation – Flanders (FWO), Belgium (Grant No. 12M1315N). The work was carried out in part using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Centre VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the Universiteit Antwerpen. The authors also thank Prof A C T van Duin for sharing the ReaxFF code. Approved Most recent IF: 2.588
Call Number PLASMANT @ plasmant @ c:irua:141918 Serial 4533
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Author Kumar, N.; Attri, P.; Dewilde, S.; Bogaerts, A.
Title Inactivation of human pancreatic ductal adenocarcinoma with atmospheric plasma treated media and water: a comparative study Type A1 Journal article
Year 2018 Publication Journal of physics: D: applied physics Abbreviated Journal (down) J Phys D Appl Phys
Volume 51 Issue 25 Pages 255401
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In recent years, the interest in treating cancer cells with plasma treated media (PTM) and plasma treated water (PTW) has increased tremendously. However, the actions of PTM and PTW are still not entirely understood. For instance, it is not clear whether the action of PTM is due to a modification in proteins/amino acids after plasma treatment of the media, or due to reactive oxygen and nitrogen species (RONS) generated from the plasma, or a combination of both effects. To differentiate between the actions of RONS and modified proteins/amino acids on the treatment of cancer cells, we compared the effects of PTM and PTW on two different pancreatic ductal adenocarcinomas (MiaPaca-2, BxPc3) and pancreatic stellate cells

(PSCs) (hPSC128-SV). PSCs closely interact with cancer cells to create a tumor-promoting environment that stimulates local tumor progression and metastasis. We treated culture media and deionized water with a cold atmospheric plasma (CAP) jet, and subsequently applied this PTM/PTW at various ratios to the pancreatic cancer and PSC cell lines. We evaluated cell death, intracellular ROS concentrations and the mRNA expression profiles of four oxidative stress-related genes, i.e. Mitogen-activated protein kinase 7 (MAPK7), B-cell lymphoma 2 (BCL2), Checkpoint kinase 1 (CHEK1) and DNA damage-inducible transcript 3, also known as C/EBP homologous protein (CHOP). Our findings demonstrate that PTM and PTW have a similar efficacy to kill pancreatic cancer cells, while PTW is slightly more effective in killing PSCs, as compared to PTM. Furthermore, we observed an enhancement of the intracellular ROS concentrations in both pancreatic cancer cells and PSCs. Thus, it is likely that under our experimental conditions, the anti-cancer activity of PTM can be attributed more to the RONS present in the treated liquid, than to the modification of proteins/amino acids in the media. Furthermore, the fact that the chemo-resistant PSCs were killed by PTM/PTW may offer possibilities for new anti-cancer therapies for pancreatic cancer cells, including PSCs.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000434266900001 Publication Date 2018-06-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.588 Times cited 6 Open Access OpenAccess
Notes We gratefully acknowledge financial support from the Research Foundation—Flanders (FWO) (grant number 12J5617N) and from the European Marie Skłodowska–Curie Individual Fellowship ‘Anticancer-PAM’ within Horizon2020 (grant number 743546). We also thank Atsushi Masamune (Division of Gastroenterology, Tohoku University Graduate School of Medicine, Sendai, Miyagi Prefecture, Japan) for providing us with human PSCs (hPSC128-SV) for this study. Approved Most recent IF: 2.588
Call Number PLASMANT @ plasmant @c:irua:151962 Serial 4997
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Author Khalili, M.; Daniels, L.; Lin, A.; Krebs, F.C.; Snook, A.E.; Bekeschus, S.; Bownel, W.B.; Miller, V.
Title Non-thermal plasma-induced immunogenic cell death in cancer Type A1 Journal article
Year 2019 Publication Journal of physics: D: applied physics Abbreviated Journal (down) J Phys D Appl Phys
Volume 52 Issue 42 Pages 423001
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Recent advances in biomedical research in cancer immunotherapy have identified the use of an oxidative stress-based approach to treat cancers, which works by inducing immunogenic cell death (ICD) in cancer cells. Since the anti-cancer effects of non-thermal plasma (NTP) are largely attributed to the reactive oxygen and nitrogen species that are delivered to and generated inside the target cancer cells, it is reasonable to postulate that NTP would be an effective modality for ICD induction. NTP treatment of tumors has been shown to destroy cancer cells rapidly and, under specific treatment regimens, this leads to systemic tumorspecific immunity. The translational benefit of NTP for treatment of cancer relies on its ability to enhance the interactions between NTP-exposed minor cells and local immune cells which initiates subsequent protective immune responses. This review discusses results from recent investigations of NTP application to induce ICD in cancer cells. With further optimization of clinical devices and treatment protocols, NTP can become an essential part of the therapeutic armament against cancer.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000479103100001 Publication Date 2019-07-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.588 Times cited 6 Open Access
Notes Approved Most recent IF: 2.588
Call Number UA @ admin @ c:irua:161774 Serial 6313
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Author Phung, Q.M.; Vancoillie, S.; Pourtois, G.; Swerts, J.; Pierloot, K.; Delabie, A.
Title Atomic layer deposition of ruthenium on a titanium nitride surface : a density functional theory study Type A1 Journal article
Year 2013 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal (down) J Phys Chem C
Volume 117 Issue 38 Pages 19442-19453
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Because of its excellent properties in nanotechnology applications, atomic layer deposition of ruthenium (Ru) has been the subject of numerous experimental studies. Recently, two different Ru precursors were compared for plasma-enhanced atomic layer deposition (PEALD) of Ru, and their reactivity was found to be different. Inhibition was observed for bis(ethylcyclopentadienyl)ruthenium (Ru(EtCp)(2)), while nearly linear growth behavior was observed for (methylcyclopentadienyl-pyrrolyl)ruthenium (Ru(MeCp)Py). To understand this difference in reactivity, we investigate the adsorption of RuCp, and RuCpPy (i.e., without substituents) on a TiN surface using calculations based on periodic boundary conditions density functional theory (DFT) combined with experiments based on Rutherford backscattering spectroscopy (RBS). The calculations demonstrate that the RuCpPy precursor chemisorbs on the TiN(100) surface while the RuCp2 precursor only physisorbs. We propose a reaction mechanism for the chemisorption of RuCpPy. The area density of the calculated RuCpPy surface species is compared with the experimental values from RBS. The impact of a H-plasma is also investigated. The DFT calculations and experimental results from RBS provide insight into the adsorption processes of the RuCpPy and RuCp2 precursors on the TiN(100) surface.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000330162500022 Publication Date 2013-08-28
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 6 Open Access
Notes Approved Most recent IF: 4.536; 2013 IF: 4.835
Call Number UA @ lucian @ c:irua:114855 Serial 170
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Author Heijkers, S.; Bogaerts, A.
Title CO2Conversion in a Gliding Arc Plasmatron: Elucidating the Chemistry through Kinetic Modeling Type A1 Journal article
Year 2017 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal (down) J Phys Chem C
Volume 121 Issue 41 Pages 22644-22655
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract By means of chemical kinetics modeling, it is possible to elucidate the main dissociation mechanisms of CO2 in a gliding arc plasmatron (GAP). We obtain good agreement between the calculated and experimental conversions and energy efficiencies, indicating that the model can indeed be used to study the underlying mechanisms. The calculations predict that vibration-induced dissociation is the main dissociation mechanism of CO2, but it occurs mainly from the lowest vibrational levels because of fast thermalization of the vibrational distribution. Based on these findings, we propose ideas for improving the performance of the GAP, but testing of these ideas in the simulations reveals that they do not always lead to significant enhancement, because of other side effects, thus illustrating the complexity of the process. Nevertheless, the model allows more insight into the underlying mechanisms to be obtained and limitations to be identified.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000413617900007 Publication Date 2017-10-19
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 6 Open Access OpenAccess
Notes Federaal Wetenschapsbeleid, IAP/7 ; Fonds Wetenschappelijk Onderzoek, G.0383.16N ; Approved Most recent IF: 4.536
Call Number PLASMANT @ plasmant @c:irua:147436 Serial 4801
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Author Sanchez-Iglesias, A.; Jenkinson, K.; Bals, S.; Liz-Marzan, L.M.
Title Kinetic regulation of the synthesis of pentatwinned gold nanorods below room temperature Type A1 Journal article
Year 2021 Publication Journal Of Physical Chemistry C Abbreviated Journal (down) J Phys Chem C
Volume 125 Issue 43 Pages 23937-23944
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The synthesis of gold nanorods requires the presence of symmetry-breaking and shape-directing additives, among which bromide ions and quaternary ammonium surfactants have been reported as essential. As a result, hexadecyltrimethylammonium bromide (CTAB) has been selected as the most efficient surfactant to direct anisotropic growth. One of the difficulties arising from this selection is the low solubility of CTAB in water at room temperature, and therefore the seeded growth of gold nanorods is usually performed at 25 degrees C or above, which has restricted so far the analysis of kinetic effects derived from lower temperatures. We report a systematic study of the synthesis of gold nanorods from pentatwinned seeds using hexadecyltrimethylammonium chloride (CTAC) as the principal surfactant and a low concentration of bromide as shape-directing agent. Under these conditions, the synthesis can be performed at temperatures as low as 8 degrees C, and the corresponding kinetic effects can be studied, resulting in temperature-controlled aspect ratio tunability.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000716453300038 Publication Date 2021-10-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 6 Open Access OpenAccess
Notes realnano; sygmaSB; This work was supported by the National Science Foundation (NSF) under award NSF CHE-1808502 (P.C. and I.J.). This work made use of the EPIC facility of Northwestern University's NUANCE Center, which has received support from the SHyNE Resource (NSF ECCS-2025633), the IIN, and Northwestern's MRSEC program (NSF DMR-1720139). D.A E. and S.B. acknowledge funding from the European Research Council under the European Union's Horizon 2020 research and innovation program (ERC Consolidator Grants No. 815128 REALNANO and Grant Agreement No. 731019 EUSMI). Approved Most recent IF: 4.536
Call Number UA @ admin @ c:irua:184104 Serial 6868
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Author Gregory, C.; Gijbels, R.; Jacob, W.; Geuens, I.; van Roost, C.; de Keyzer, R.
Title Evaluation of characterization methods for thin sections of silver halide microcrystals by analytical electron microscopy Type A1 Journal article
Year 1997 Publication Journal of microscopy Abbreviated Journal (down) J Microsc-Oxford
Volume 188 Issue Pages 79-87
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos A1997YF51000009 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-2720 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.692 Times cited 6 Open Access
Notes Approved Most recent IF: 1.692; 1997 IF: 1.083
Call Number UA @ lucian @ c:irua:20461 Serial 1086
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Author Goncalves, W.C.; Sardella, E.; Becerra, V.F.; Milošević, M.V.; Peeters, F.M.
Title Numerical solution of the time dependent Ginzburg-Landau equations for mixed (d plus s)-wave superconductors Type A1 Journal article
Year 2014 Publication Journal of mathematical physics Abbreviated Journal (down) J Math Phys
Volume 55 Issue 4 Pages 041501
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The time-dependent Ginzburg-Landau formalism for (d + s)-wave superconductors and their representation using auxiliary fields is investigated. By using the link variable method, we then develop suitable discretization of these equations. Numerical simulations are carried out for a mesoscopic superconductor in a homogeneous perpendicular magnetic field which revealed peculiar vortex states. (C) 2014 AIP Publishing LLC.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000336084100001 Publication Date 2014-04-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-2488;1089-7658; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.077 Times cited 6 Open Access
Notes ; We thank the Brazilian Agency FAPESP and Flemish Science Foundation (FSF) (FWO-Vlaanderen) for financial support. M. V. M. acknowledges support from the CAPES-PVE program. ; Approved Most recent IF: 1.077; 2014 IF: 1.243
Call Number UA @ lucian @ c:irua:117728 Serial 2407
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Author Struzzi, C.; Erbahar, D.; Scardamaglia, M.; Amati, M.; Gregoratti, L.; Lagos; Van Tendeloo, G.; Snyders, R.; Ewels, C.; Bittencourt, C.
Title Selective decoration of isolated carbon nanotubes by potassium evaporation : scanning photoemission microscopy and density functional theory Type A1 Journal article
Year 2015 Publication Journal of materials chemistry C : materials for optical and electronic devices Abbreviated Journal (down) J Mater Chem C
Volume 3 Issue 3 Pages 2518-2527
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Site selective doping of aligned carbon nanostructures represents a promising approach for their implementation in actual devices. In the present work we report on alkali metals decoration on low density vertically aligned carbon nanotubes, disclosing the possibility of engineering site selective depositions of potassium atoms on the carbon systems. Photoemission measurements were combined with microscopy demonstrating the effective spatial control of alkali deposition. The changes of electronic structures of locally doped carbon regions were studied by exploiting the ability of the scanning photoemission microscopy technique. From the analysis of experimental data supported by theoretical calculations, we show the tuning of the charge transfer from potassium to carbon atoms belonging to neighboring nanotubes or along the same tube structure.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000350984200011 Publication Date 2014-12-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7526;2050-7534; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.256 Times cited 6 Open Access
Notes Approved Most recent IF: 5.256; 2015 IF: 4.696
Call Number c:irua:125496 Serial 2963
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Author Trolliard, G.; Benmechta, R.; Mercurio, D.; Lebedev, O.I.
Title The determination of the interface structure between ionocovalent compounds: the general case study of the Al2O3/ZrO2 large mis-fit system Type A1 Journal article
Year 2006 Publication Journal of materials chemistry Abbreviated Journal (down) J Mater Chem
Volume 16 Issue 36 Pages 3640-3650
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000240501100009 Publication Date 2006-08-23
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 6 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:60793 Serial 677
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Author Khazzan, S.; Bessais, L.; Van Tendeloo, G.; Mliki, N.
Title Correlation between the nanocrystalline Sm(Fe,Mo)12 and its out of equilibrium phase Sm(Fe,Mo)10 Type A1 Journal article
Year 2014 Publication Journal of magnetism and magnetic materials Abbreviated Journal (down) J Magn Magn Mater
Volume 363 Issue Pages 125-132
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Nanostructured Sm-Fe-Mo semi-hard magnetic material exhibiting enhanced magnetic properties can be produced by ball milling followed by recrystallization. Milled samples were annealed for 30 min in a vacuum at different temperatures (T-A) between 700 and 1190 degrees C. The effects of heat treatment and Mo content on structural and magnetic property changes have been investigated by means of X-ray diffraction using the Rietvekl method, transmission electron microscopy and magnetic measurements. For samples annealed at T-A > 900 degrees C the tetragonal ThMn12-type structure is identified, while for 700 < T-A < 900 degrees C a new out of equilibrium P6/mmm type structure was found as the major phase. This novel nanocrystalline phase has never been synthesized before. The correspondent stoichiometry is determined on the basis of the vacancy model. The Rietveld analysis gives a stoichiometry ratio equal to 1:10, for the out of equilibrium hexagonal phase, which is described with three crystallographic transition metal sites: 3g is fully occupied, 61 occupation is limited to hexagons surrounding the Fe dumbbell pairs 2e. We have performed a magnetic and structural study of nanocrystalline metastable P6/mrnm Sm(Fe1-xMo)(10), correlated with structural transformation towards its equilibrium derivative 14/mrnm Sm(Fe1-xMo)(12). A maximum of the coercive field H-C (H-C > 5 kOe) has been observed for the new hexagonal P6/rnmm phase suggesting that nanocrystalline Sm(Fe,Mo)(10), is a semi hard material, and is potential candidate for magnetic recording. (C) 2014 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000335393900021 Publication Date 2014-04-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-8853; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.63 Times cited 6 Open Access
Notes Approved Most recent IF: 2.63; 2014 IF: 1.970
Call Number UA @ lucian @ c:irua:117139 Serial 524
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Author Buschmann, V.; Rodewald, M.; Fuess, H.; Van Tendeloo, G.; Schaffer, C.
Title Hetero-epitaxial growth of CoSi2 thin films on Si(100) : template effects and epitaxial orientations Type A1 Journal article
Year 1998 Publication Journal of crystal growth Abbreviated Journal (down) J Cryst Growth
Volume 191 Issue 3 Pages 430-438
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract This HREM investigation focuses on the influence of point defects on the final epitaxial relation and atomic interface configuration in a CoSi2/Si(1 0 0) heterostructure. A two-step SPE-MBE grown CoSi2/Si(1 0 0) system is used and, by altering the number of deposited Co monolayers in the template layer, the point defect behavior is studied. We propose a film growth model in which the knowledge about the reconstructed (2 x 1) : Si(1 0 0) surface, the point defect behavior in the presence of an interface, especially a silicide interface, the migration of point defects through a lattice by formation of [1 0 0]-split interstitial (dumbbell) atomic configurations, and a new type of extended defect configurations in diamond type materials will all amalgamate. (C) 1998 Published by Elsevier Science B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000075032500017 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-0248; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.751 Times cited 6 Open Access
Notes Approved Most recent IF: 1.751; 1998 IF: 1.307
Call Number UA @ lucian @ c:irua:102930 Serial 1418
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Author Berthelot, A.; Bogaerts, A.
Title Pinpointing energy losses in CO 2 plasmas – Effect on CO 2 conversion Type A1 Journal article
Year 2018 Publication Journal of CO2 utilization Abbreviated Journal (down) J Co2 Util
Volume 24 Issue Pages 479-499
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Plasma technology is gaining increasing interest for CO2 conversion, but to maximize the energy efficiency, it is important to track the different energy transfers taking place in the plasma. In this paper, we study these mechanisms by a 0D chemical kinetics model, including the vibrational kinetics, for different conditions of reduced electric field, gas temperature and ionization degree, at a pressure of 100 mbar. Our model predicts a maximum conversion and energy efficiency of 32% and 47%, respectively, at conditions that are particularly beneficial for energy efficient CO2 conversion, i.e. a low reduced electric field (10 Td) and a low gas temperature (300 K). We study the effect of the efficiency by which the vibrational energy is used to dissociate CO2, as well as of the activation energy of the reaction CO2+O→CO+O2, to elucidate the theoretical limitations to the energy

efficiency. Our model reveals that these parameters are mainly responsible for the limitations in the energy efficiency. By varying these parameters, we can reach a maximum conversion and energy efficiency of 86%. Finally, we derive an empirical formula to estimate the maximum possible energy efficiency that can be reached under the assumptions of the model.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000428234500054 Publication Date 2018-03-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2212-9820 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.292 Times cited 6 Open Access Not_Open_Access: Available from 16.03.2020
Notes We acknowledge financial support from the European Union's Seventh Framework Program for research, technological development and demonstration under grant agreement no. 606889. The calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. We would also like to thank Prof. Richard van de Sanden (DIFFER) for the interesting talks. Approved Most recent IF: 4.292
Call Number PLASMANT @ plasmant @c:irua:149645 Serial 4912
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Author Sóti, V.; Lenaerts, S.; Cornet, I.
Title Of enzyme use in cost-effective high solid simultaneous saccharification and fermentation processes Type A1 Journal article
Year 2018 Publication Journal of biotechnology Abbreviated Journal (down) J Biotechnol
Volume 270 Issue 270 Pages 70-76
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Biochemical Wastewater Valorization & Engineering (BioWaVE)
Abstract Enzyme cost is considered to be one of the most significant factors defining the final product price in lignocellulose hydrolysis and fermentation. Enzyme immobilization and recycling can be a tool to decrease costs. However, high solid loading is a key factor towards high product titers, and recovery of immobilized enzymes from this thick liquid is often overlooked. This paper aims to evaluate the economic feasibility of immobilized enzymes in simultaneous saccharification and fermentation (SSF) of lignocellulose biomass in general, as well as the recuperation of magnetic immobilized enzymes (m-CLEAs) during high solid loading in simultaneous saccharification, detoxification and fermentation processes (SSDF) of lignocellulose biomass. Enzyme prices were obtained from general cost estimations by Klein-Marcuschamer et al. [Klein-Marcuschamer et al. (2012) Biotechnol. Bioeng. 109, 10831087]. During enzyme cost analysis, the influence of inoculum recirculation as well as a shortened fermentation time was explored. Both resulted in 15% decrease of final enzyme product price. Enzyme recuperation was investigated experimentally and 99.5 m/m% of m-CLEAs was recovered from liquid medium in one step, while 88 m/m% could still be recycled from a thick liquid with high solid concentrations (SSF fermentation broth). A mathematical model was constructed to calculate the cost of immobilized and free enzyme utilization and showed that, with current process efficiencies and commercial enzyme prices, the cost reduction obtained by enzyme immobilization can reach around 60% compared to free enzyme utilization, while lower enzyme prices will result in a lower percentage of immobilization related savings, but overall enzyme costs will decrease significantly. These results are applied in a case study, estimating the viability of shifting from sugar to lignocellulose substrate for a 100 t lactic acid fermentation batch. It was concluded that it will only be economically feasible if the enzymes are produced at the most optimistic variable cost and either the activity of the immobilized catalyst or the recovery efficiency is further increased.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000427556400009 Publication Date 2018-02-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0168-1656 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.599 Times cited 6 Open Access
Notes ; This research is financed by the University of Antwerp [project number 15 FA100 002]. ; Approved Most recent IF: 2.599
Call Number UA @ admin @ c:irua:149006 Serial 5974
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Author Bekaert, J.; Saniz, R.; Partoens, B.; Lamoen, D.
Title First-principles study of carbon impurities in CuInSe2 and CuGaSe2, present in non-vacuum synthesis methods Type A1 Journal article
Year 2015 Publication Journal of applied physics Abbreviated Journal (down) J Appl Phys
Volume 117 Issue 117 Pages 015104
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract A first-principles study of the structural and electronic properties of carbon impurities in CuInSe2 and CuGaSe2 is presented. Carbon is present in organic molecules in the precursor solutions used in non-vacuum growth methods for CuInSe2 and CuGaSe2 based photovoltaic cells. These growth methods make more efficient use of material, time, and energy than traditional vacuum methods. The formation energies of several carbon impurities are calculated using the hybrid HSE06 functional. C Cu acts as a shallow donor, CIn and interstitial C yield deep donor levels in CuInSe2, while in CuGaSe2 CGa and interstitial C act as deep amphoteric defects. So, these defects reduce the majority carrier (hole) concentration in p-type CuInSe2 and CuGaSe2 by compensating the acceptor levels. The deep defects are likely to act as recombination centers for the photogenerated charge carriers and are thus detrimental for the performance of the photovoltaic cells. On the other hand, the formation energies of the carbon impurities are high, even under C-rich growth conditions. Thus, few C impurities will form in CuInSe2 and CuGaSe2 in thermodynamic equilibrium. However, the deposition of the precursor solution in non-vacuum growth methods presents conditions far from thermodynamic equilibrium. In this case, our calculations show that C impurities formed in non-equilibrium tend to segregate from CuInSe2 and CuGaSe2 by approaching thermodynamic equilibrium, e.g., via thorough annealing.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000347958600055 Publication Date 2015-01-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979;1089-7550; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 6 Open Access
Notes FWO G015013; Hercules Approved Most recent IF: 2.068; 2015 IF: 2.183
Call Number c:irua:122064 Serial 1215
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Author Buschmann, V.; Rodewald, M.; Fuess, H.; Van Tendeloo, G.; Schäffer, C.
Title High resolution electron microscopy study of molecular beam epitaxy grown CoSi2/Si1-xGex/Si(100) heterostructurs Type A1 Journal article
Year 1999 Publication Journal of applied physics Abbreviated Journal (down) J Appl Phys
Volume 85 Issue 4 Pages 2119-2123
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Two CoSi2/Si1-xGex/Si(100) heterostructures, with different Ge content, made by molecular beam epitaxy are characterized by high resolution electron microscopy. In general, the interface between the CoSi2 thin film and the Si1-xGex layer is of a high structural quality and the strained Si1-xGex layer exhibits few defects. For both samples, different interface structures are present, although the dominant interfacial configuration is similar to the unreconstructed interface present at the CoSi2/Si(100) interface. Only occasionally (2x1) reconstructed interface regions are found which are just a few nanometers in length. Phenomena such as Ge segregation and the introduction of defects are also observed in the Si1-xGex layer. We attribute the minimal presence of the reconstructed interface to both the (2x8):Si1-xGex(100) surface reconstruction and the Ge segregation that takes place. (C) 1999 American Institute of Physics. [S0021-8979(99)02104-0].
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000078403000017 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 6 Open Access
Notes Approved Most recent IF: 2.068; 1999 IF: 2.275
Call Number UA @ lucian @ c:irua:103977 Serial 1455
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Author Bernaerts, D.; Van Tendeloo, G.; Amelinckx, S.; Hevesi, K.; Gensterblum, G.; Yu, L.M.; Pireaux, J.J.; Grey, F.; Bohr, J.
Title Structural defects and epitaxial rotation of C60 and C70 (111) films on GeS(001) Type A1 Journal article
Year 1996 Publication Journal of applied physics Abbreviated Journal (down) J Appl Phys
Volume 80 Issue 6 Pages 3310-3318
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A transmission electron microscopy study of epitaxial C-60 and C-70 films grown on a GeS (001) surface is presented. The relationship between the orientation of the substrate and the films and structural defects in the films, such as grain boundaries, unknown in bulk C-60 and C-70 crystals, are studied. Small misalignments of the overlayers with respect to the orientation of the substrate, so-called epitaxial rotations, exist mainly in C-70 films, but also sporadically in the C-60 overlayers. A simple symmetry model, previously used to predict the rotation of hexagonal overlayers on hexagonal substrates, is numerically tested and applied to the present situation. Some qualitative conclusions concerning the substrate-film interaction are deduced. (C) 1996 American Institute of Physics.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos A1996VG68100027 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.183 Times cited 6 Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:95233 Serial 3229
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Author Van de Put, M.L.; Vandenberghe, W.G.; Sorée, B.; Magnus, W.; Fischetti, M.V.
Title Inter-ribbon tunneling in graphene: An atomistic Bardeen approach Type A1 Journal article
Year 2016 Publication Journal of applied physics Abbreviated Journal (down) J Appl Phys
Volume 119 Issue 119 Pages 214306
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A weakly coupled system of two crossed graphene nanoribbons exhibits direct tunneling due to the overlap of the wavefunctions of both ribbons. We apply the Bardeen transfer Hamiltonian formalism, using atomistic band structure calculations to account for the effect of the atomic structure on the tunneling process. The strong quantum-size confinement of the nanoribbons is mirrored by the one-dimensional character of the electronic structure, resulting in properties that differ significantly from the case of inter-layer tunneling, where tunneling occurs between bulk two-dimensional graphene sheets. The current-voltage characteristics of the inter-ribbon tunneling structures exhibit resonance, as well as stepwise increases in current. Both features are caused by the energetic alignment of one-dimensional peaks in the density-of-states of the ribbons. Resonant tunneling occurs if the sign of the curvature of the coupled energy bands is equal, whereas a step-like increase in the current occurs if the signs are opposite. Changing the doping modulates the onset-voltage of the effects as well as their magnitude. Doping through electrostatic gating makes these structures promising for application towards steep slope switching devices. Using the atomistic empirical pseudopotentials based Bardeen transfer Hamiltonian method, inter-ribbon tunneling can be studied for the whole range of two-dimensional materials, such as transition metal dichalcogenides. The effects of resonance and of step-like increases in the current we observe in graphene ribbons are also expected in ribbons made from these alternative two-dimensional materials, because these effects are manifestations of the one-dimensional character of the density-of-states. Published by AIP Publishing.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000378923100022 Publication Date 2016-06-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 6 Open Access
Notes ; ; Approved Most recent IF: 2.068
Call Number UA @ lucian @ c:irua:134652 Serial 4198
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Author Mohammed, M.; Verhulst, A.S.; Verreck, D.; Van de Put, M.; Simoen, E.; Sorée, B.; Kaczer, B.; Degraeve, R.; Mocuta, A.; Collaert, N.; Thean, A.; Groeseneken, G.
Title Electric-field induced quantum broadening of the characteristic energy level of traps in semiconductors and oxides Type A1 Journal article
Year 2016 Publication Journal of applied physics Abbreviated Journal (down) J Appl Phys
Volume 120 Issue 120 Pages 245704
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The trap-assisted tunneling (TAT) current in tunnel field-effect transistors (TFETs) is one of the crucial factors degrading the sub-60 mV/dec sub-threshold swing. To correctly predict the TAT currents, an accurate description of the trap is required. Since electric fields in TFETs typically reach beyond 10(6) V/cm, there is a need to quantify the impact of such high field on the traps. We use a quantum mechanical implementation based on the modified transfer matrix method to obtain the trap energy level. We present the qualitative impact of electric field on different trap configurations, locations, and host materials, including both semiconductors and oxides. We determine that there is an electric-field related trap level shift and level broadening. We find that these electric-field induced quantum effects can enhance the trap emission rates. Published by AIP Publishing.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000392174000028 Publication Date 2016-12-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 6 Open Access
Notes ; This work was supported by imec's Industrial Affiliation Program. D. Verreck acknowledges the support of a PhD stipend from IWT-Vlaanderen. ; Approved Most recent IF: 2.068
Call Number UA @ lucian @ c:irua:141481 Serial 4593
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Author Held, A.; Taylor, P.; Ingelbrecht, C.; de Bièvre, P.; Broekaert, J.; van Straaten, M.; Gijbels, R.
Title Determination of scandium in high-purity titanium using inductively coupled plasma mass spectrometry and glow discharge mass spectrometry as part of its certification as a reference material Type A1 Journal article
Year 1995 Publication Journal of analytical atomic spectrometry Abbreviated Journal (down) J Anal Atom Spectrom
Volume 10 Issue Pages 849-852
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1995TB75500024 Publication Date 2004-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0267-9477;1364-5544; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.466 Times cited 6 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:12265 Serial 671
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Author Simon, P.; Bogaerts, A.
Title Vibrational level population of nitrogen impurities in low-pressure argon glow discharges Type A1 Journal article
Year 2011 Publication Journal of analytical atomic spectrometry Abbreviated Journal (down) J Anal Atom Spectrom
Volume 26 Issue 4 Pages 804-810
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The vibrational level populations of the electronic ground state of the nitrogen molecule have been calculated for typical glow discharge conditions in argonnitrogen mixtures with nitrogen concentrations between 0.1 and 1%. Stationary solutions of the master equations of the vibrational levels have been obtained using numerical methods. The main mechanisms responsible for the population and depopulation of the vibrational levels, and for the overall shape of the vibrational distribution function are pointed out. It has been found that vibrationvibration collisions play only a minor role and therefore the population of the vibrational levels is basically determined by the electron temperature.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000288703300012 Publication Date 2010-12-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0267-9477;1364-5544; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.379 Times cited 6 Open Access
Notes Approved Most recent IF: 3.379; 2011 IF: 3.220
Call Number UA @ lucian @ c:irua:87530 Serial 3842
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Author Zhang, S.; Sahin, H.; Torun, E.; Peeters, F.; Martien, D.; DaPron, T.; Dilley, N.; Newman, N.
Title Fundamental mechanisms responsible for the temperature coefficient of resonant frequency in microwave dielectric ceramics Type A1 Journal article
Year 2017 Publication Journal of the American Ceramic Society Abbreviated Journal (down) J Am Ceram Soc
Volume 100 Issue 100 Pages 1508-1516
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The temperature coefficient of resonant frequency ((f)) of a microwave resonator is determined by three materials parameters according to the following equation: (f)=-(1/2 (epsilon) + 1/2 + (L)), where (L), (epsilon), and are defined as the linear temperature coefficients of the lattice constant, dielectric constant, and magnetic permeability, respectively. We have experimentally determined each of these parameters for Ba(Zn1/3Ta2/3)O-3, 0.8 at.% Ni-doped Ba(Zn1/3Ta2/3)O-3, and Ba(Ni1/3Ta2/3)O-3 ceramics. These results, in combination with density functional theory calculations, have allowed us to develop a much improved understanding of the fundamental physical mechanisms responsible for the temperature coefficient of resonant frequency, (f).
Address
Corporate Author Thesis
Publisher Place of Publication Columbus, Ohio Editor
Language Wos 000399610800034 Publication Date 2017-02-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0002-7820 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.841 Times cited 6 Open Access
Notes ; ; Approved Most recent IF: 2.841
Call Number UA @ lucian @ c:irua:143682 Serial 4597
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Author Li, J.; Zhao, C.; Yang, Y.; Li, C.; Hollenkamp, T.; Burke, N.; Hu, Z.-Y.; Van Tendeloo, G.; Chen, W.
Title Synthesis of monodispersed CoMoO4 nanoclusters on the ordered mesoporous carbons for environment-friendly supercapacitors Type A1 Journal article
Year 2019 Publication Journal of alloys and compounds Abbreviated Journal (down) J Alloy Compd
Volume 810 Issue 810 Pages 151841
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Binary metal oxides with superior charge capacity and electrochemical activity have gained great interests. In this work, monodispersed CoMoO4 nanoclusters on the ordered mesoporous carbons were fabricated by a facile self-developed impregnation method. The synthesized hybrids possess improved wettability, high specific surface area (> 700m(2)/g) and regular mesoporous channels (similar to 4 nm), resulting in improved electrochemical performance for supercapacitors. These well-dispersed CoMoO4 nanoclusters exhibit a significant specific capacitance up to 367 F/g in the aqueous KNO3 electrolyte and good reversibility with a cycling efficiency of 99.8%. It is proposed that the mesoporous structure can facilitate the diffusion of electrolyte ions and then accelerate the electrochemical utilization of CoMoO4 nanoclusters. The results demonstrate that the produced binary metal oxide nanoclusters with excellent capacitance and good retention can be used as promising electrodes for the environment-friendly supercapacitors. (C) 2019 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000486596000030 Publication Date 2019-08-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0925-8388 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.133 Times cited 6 Open Access
Notes ; Financial support by the National Key R&D Program of China (2016YB0303900) and the Fundamental Research Funds for the Central Universities (WUT: 2019III012GX) are gratefully acknowledged. The authors extend their appreciation to the support by CSIRO. ; Approved Most recent IF: 3.133
Call Number UA @ admin @ c:irua:162759 Serial 5398
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Author Verberck, B.; Michel, K.H.
Title Nanotube field of C60 and C70 molecules in carbon nanotubes Type A1 Journal article
Year 2007 Publication International journal of quantum chemistry Abbreviated Journal (down) Int J Quantum Chem
Volume 107 Issue 13 Pages 2294-2319
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000249459800002 Publication Date 2007-02-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-7608;1097-461X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.92 Times cited 6 Open Access
Notes Approved Most recent IF: 2.92; 2007 IF: 1.368
Call Number UA @ lucian @ c:irua:65785 Serial 2282
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Author van Dyck, D.; Van Aert, S.; Croitoru, M.
Title Atomic resolution electron tomography: a dream? Type A1 Journal article
Year 2006 Publication International journal of materials research Abbreviated Journal (down) Int J Mater Res
Volume 97 Issue 7 Pages 872-879
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Vision lab
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000239916700003 Publication Date 2013-12-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1862-5282;2195-8556; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.681 Times cited 6 Open Access
Notes Approved Most recent IF: 0.681; 2006 IF: NA
Call Number UA @ lucian @ c:irua:60965 Serial 176
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Author Batuk, M.; Turner, S.; Abakumov, A.M.; Batuk, D.; Hadermann, J.; Van Tendeloo, G.
Title Atomic structure of defects in anion-deficient perovskite-based ferrites with a crystallographic shear structure Type A1 Journal article
Year 2014 Publication Inorganic chemistry Abbreviated Journal (down) Inorg Chem
Volume 53 Issue 4 Pages 2171-2180
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Crystallographic shear (CS) planes provide a new structure-generation mechanism in the anion-deficient perovskites containing lone-pair cations. Pb2Sr2Bi2Fe6O16, a new n = 6 representative of the AnBnO3n2 homologous series of the perovskite-based ferrites with the CS structure, has been synthesized using the solid-state technique. The structure is built of perovskite blocks with a thickness of four FeO6 octahedra spaced by double columns of FeO5 edge-sharing distorted tetragonal pyramids, forming 1/2[110](101)p CS planes (space group Pnma, a = 5.6690(2) Å, b = 3.9108(1) Å, c = 32.643(1) Å). Pb2Sr2Bi2Fe6O16 features a wealth of microstructural phenomena caused by the flexibility of the CS planes due to the variable ratio and length of the constituting fragments with {101}p and {001}p orientation. This leads to the formation of waves, hairpins, Γ-shaped defects, and inclusions of the hitherto unknown layered anion-deficient perovskites Bi2(Sr,Pb)Fe3O8.5 and Bi3(Sr,Pb)Fe4O11.5. Using a combination of diffraction, imaging, and spectroscopic transmission electron microscopy techniques this complex microstructure was fully characterized, including direct determination of positions, chemical composition, and coordination number of individual atomic species. The complex defect structure makes these perovskites particularly similar to the CS structures in ReO3-type oxides. The flexibility of the CS planes appears to be a specific feature of the Sr-based system, related to the geometric match between the SrO perovskite layers and the {100}p segments of the CS planes.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000332144100039 Publication Date 2014-01-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 6 Open Access
Notes Countatoms; FWO Approved Most recent IF: 4.857; 2014 IF: 4.762
Call Number UA @ lucian @ c:irua:113507 Serial 198
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Author Batuk, M.; Batuk, D.; Tsirlin, A.A.; Rozova, M.G.; Antipov, E.V.; Hadermann, J.; Van Tendeloo, G.
Title Homologous series of layered perovskites An+1BnO3n-1Cl : crystal and magnetic structure of a new oxychloride Pb4BiFe4O11Cl Type A1 Journal article
Year 2013 Publication Inorganic chemistry Abbreviated Journal (down) Inorg Chem
Volume 52 Issue 4 Pages 2208-2218
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The nuclear and magnetic structure of a novel oxychloride Pb4BiFe4O11Cl has been studied over the temperature range 1.5700 K using a combination of transmission electron microscopy and synchrotron and neutron powder diffraction [space group P4/mbm, a = 5.5311(1) Å, c = 19.586(1) Å, T = 300 K]. Pb4BiFe4O11Cl is built of truncated (Pb,Bi)3Fe4O11 quadruple perovskite blocks separated by CsCl-type (Pb,Bi)2Cl slabs. The perovskite blocks consist of two layers of FeO6 octahedra located between two layers of FeO5 tetragonal pyramids. The FeO6 octahedra rotate about the c axis, resulting in a √2ap × √2ap × c superstructure. Below TN = 595(17) K, Pb4BiFe4O11Cl adopts a G-type antiferromagnetic structure with the iron magnetic moments confined to the ab plane. The ordered magnetic moments at 1.5 K are 3.93(3) and 3.62(4) μB on the octahedral and square-pyramidal iron sites, respectively. Pb4BiFe4O11Cl can be considered a member of the perovskite-based An+1BnO3n1Cl homologous series (A = Pb/Bi; B = Fe) with n = 4. The formation of a subsequent member of the series with n = 5 is also demonstrated.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000315255200067 Publication Date 2013-02-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 6 Open Access
Notes Countatoms Approved Most recent IF: 4.857; 2013 IF: 4.794
Call Number UA @ lucian @ c:irua:106185 Serial 1486
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Author Cassidy, S.J.; Batuk, M.; Batuk, D.; Hadermann, J.; Woodruff, D.N.; Thompson, A.L.; Clarke, S.J.
Title Complex Microstructure and Magnetism in Polymorphic CaFeSeO Type A1 Journal article
Year 2016 Publication Inorganic chemistry Abbreviated Journal (down) Inorg Chem
Volume 55 Issue 55 Pages 10714-10726
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The structural complexity of the antiferromagnetic oxide selenide CaFeSeO is described. The compound contains puckered FeSeO layers composed of FeSe2O2 tetrahedra sharing all their vertexes. Two polymorphs coexist that can be derived from an archetype BaZnSO structure by cooperative tilting of the FeSe2O2 tetrahedra. The polymorphs differ in the relative arrangement of the puckered layers of vertex-linked FeSe2O2 tetrahedra. In a noncentrosymmetric Cmc21 polymorph (a = 3.89684(2) A, b = 13.22054(8) A, c = 5.93625(2) A) the layers are related by the C-centering translation, while in a centrosymmetric Pmcn polymorph, with a similar cell metric (a = 3.89557(6) A, b = 13.2237(6) A, c = 5.9363(3) A), the layers are related by inversion. The compound shows long-range antiferromagnetic order below a Neel temperature of 159(1) K with both polymorphs showing antiferromagnetic coupling via Fe-O-Fe linkages and ferromagnetic coupling via Fe-Se-Fe linkages within the FeSeO layers. The magnetic susceptibility also shows evidence for weak ferromagnetism which is modeled in the refinements of the magnetic structure as arising from an uncompensated spin canting in the noncentrosymmetric polymorph. There is also a spin glass component to the magnetism which likely arises from the disordered regions of the structure evident in the transmission electron microscopy.
Address Department of Chemistry, Inorganic Chemistry Laboratory, University of Oxford , South Parks Road, Oxford OX1 3QR, United Kingdom
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000385785700085 Publication Date 2016-10-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 6 Open Access
Notes We acknowledge the financial support of the EPSRC (Grants EP/I017844/1 and EP/M020517/1), the Leverhulme Trust (RPG-2014-221), and the Diamond Light Source (studentship support for S. J. Cassidy). We thank the ESTEEM2 network for enabling the electron microscopy investigations and the ISIS facility and the Diamond Light Source Ltd. for the award of beam time. We thank Dr. P. Manuel for assistance on WISH, Dr. R. I. Smith for assistance on GEM and POLARIS, and Dr. C. Murray and Dr. A. Baker for assistance on I11. Approved Most recent IF: 4.857
Call Number EMAT @ emat @ c:irua:136823 Serial 4312
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Author Tang, Y.; Hunter, E.C.; Battle, P.D.; Hendrickx, M.; Hadermann, J.; Cadogan, J.M.
Title Ferrimagnetism as a consequence of unusual cation ordering in the Perovskite SrLa2FeCoSbO9 Type A1 Journal article
Year 2018 Publication Inorganic chemistry Abbreviated Journal (down) Inorg Chem
Volume 57 Issue 12 Pages 7438-7445
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A polycrystalline sample of SrLa2FeCoSbO9 has been prepared in a solid-state reaction and studied by a combination of electron microscopy, magnetometry, Mossbauer spectroscopy, X-ray diffraction, and neutron diffraction. The compound adopts a monoclinic (space group P2(1)/n; a = 5.6218(6), b = 5.6221(6), c = 7.9440(8) angstrom, beta = 90.050(7)degrees at 300 K) perovskite-like crystal structure with two crystallographically distinct six-coordinate sites. One of these sites is occupied by 2/3 Co-2(+),1/3 Fe3+ and the other by 2/3 Sb5+, 1/3 Fe3+. This pattern of cation ordering results in a transition to a ferrimagnetic phase at 215 K. The magnetic moments on nearest-neighbor, six-coordinate cations align in an antiparallel manner, and the presence of diamagnetic Sb5+ on only one of the two sites results in a nonzero remanent magnetization of similar to 1 mu(B) per formula unit at 5 K.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000436023800073 Publication Date 2018-05-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 6 Open Access Not_Open_Access
Notes ; PDB, ECH, and JH acknowledge support from EPSRC under grant EP/M0189954/1. We would like to thank the STFC for the award of beamtime at the ISIS Neutron and Muon Source (RB 1610100), and we thank Dr. I. da Silva for the assistance provided. We also thank Dr. R Paria Sena for help with the HAADF-STEM and STEM-EDX experiments. ; Approved Most recent IF: 4.857
Call Number UA @ lucian @ c:irua:152485 Serial 5103
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