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Author (up) Paolella, A.; Turner, S.; Bertoni, G.; Hovington, P.; Flacau, R.; Boyer, C.; Feng, Z.; Colombo, M.; Marras, S.; Prato, M.; Manna, L.; Guerfi, A.; Demopoulos, G.P.; Armand, M.; Zaghib, K.;
Title Accelerated removal of Fe-antisite defects while nanosizing hydrothermal LiFePO4 with Ca2+ Type A1 Journal article
Year 2016 Publication Nano letters Abbreviated Journal Nano Lett
Volume 16 Issue 16 Pages 2692-2697
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Based on neutron powder diffraction (NPD) and high angle annular dark field scanning transmission electron microscopy (HAADF-STEM), we show that calcium ions help eliminate the Fe-antisite defects by controlling the nucleation and evolution of the LiFePO4 particles during their hydrothermal synthesis. This Ca-regulated formation of LiFePO4 particles has an overwhelming impact on the removal of their iron antisite defects during the subsequent carbon coating step since (i) almost all the Fe-antisite defects aggregate at the surface of the LiFePO4 crystal when the crystals are small enough and (ii) the concomitant increase of the surface area, which further exposes the Fe-antisite defects. Our results not only justify a low-cost, efficient and reliable hydrothermal synthesis method for LiFePO4 but also provide a promising alternative viewpoint on the mechanism controlling the nanosizing of LiFePO4, which leads to improved electrochemical performances.
Address
Corporate Author Thesis
Publisher Place of Publication Washington Editor
Language Wos 000374274600084 Publication Date 2016-03-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.712 Times cited 30 Open Access
Notes Approved Most recent IF: 12.712
Call Number UA @ lucian @ c:irua:133600 Serial 4134
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Author (up) Bafekry, A.
Title Graphene-like BC₆N single-layer: tunable electronic and magnetic properties via thickness, gating, topological defects, and adatom/molecule Type A1 Journal article
Year 2020 Publication Physica E-Low-Dimensional Systems & Nanostructures Abbreviated Journal Physica E
Volume 118 Issue Pages 113850-15
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract By using density functional theory-based first-principles calculations, we investigate the structural, electronic, optical, and transport properties of pristine single-layer BC6N. Under different external actions and functionalization. Increasing the thickness of the structure results in a decrease of the band gap. Applying a perpendicular electric field decreases the band gap and a semiconductor-to-topological insulator transition is revealed. Uniaxial and biaxial strains of +8% result in a semiconductor-to-metal transition. Nanoribbons of BC6N having zigzag edge with even (odd) values of widths, become metal (semiconductor), while the armchair edge nanoribbons exhibit robust semiconducting behavior. In addition, we systematically investigate the effect of surface adatom and molecule, substitutional impurity and defect engineering on the electronic properties of single-layer BC6N and found transitions from metal to half-metal, to ferromagnetic metal, to dilute magnetic semiconductor, and even to spin-glass semiconductor. Furthermore we found that, topological defects including vacancies and Stone–Wales type, induce magnetism in single-layer BC6N.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000515321700032 Publication Date 2019-12-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1386-9477 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.3 Times cited 30 Open Access
Notes ; ; Approved Most recent IF: 3.3; 2020 IF: 2.221
Call Number UA @ admin @ c:irua:169750 Serial 6530
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Author (up) Barreca, D.; Carraro, G.; Gasparotto, A.; Maccato, C.; Altantzis, T.; Sada, C.; Kaunisto, K.; Ruoko, T.-P.; Bals, S.
Title Vapor Phase Fabrication of Nanoheterostructures Based on ZnO for Photoelectrochemical Water Splitting Type A1 Journal article
Year 2017 Publication Advanced Materials Interfaces Abbreviated Journal Adv Mater Interfaces
Volume 4 Issue 4 Pages 1700161
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Nanoheterostructures based on metal oxide semiconductors have emerged

as promising materials for the conversion of sunlight into chemical energy.

In the present study, ZnO-based nanocomposites have been developed by

a hybrid vapor phase route, consisting in the chemical vapor deposition

of ZnO systems on fluorine-doped tin oxide substrates, followed by the

functionalization with Fe2O3 or WO3 via radio frequency-sputtering. The

target systems are subjected to thermal treatment in air both prior and after

sputtering, and their properties, including structure, chemical composition,

morphology, and optical absorption, are investigated by a variety of characterization

methods. The obtained results evidence the formation of highly

porous ZnO nanocrystal arrays, conformally covered by an ultrathin Fe2O3

or WO3 overlayer. Photocurrent density measurements for solar-triggered

water splitting reveal in both cases a performance improvement with respect

to bare zinc oxide, that is mainly traced back to an enhanced separation of

photogenerated charge carriers thanks to the intimate contact between the

two oxides. This achievement can be regarded as a valuable result in view of

future optimization of similar nanoheterostructured photoanodes.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000411525700007 Publication Date 2017-05-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2196-7350 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.279 Times cited 30 Open Access OpenAccess
Notes The authors kindly acknowledge the financial support under Padova University ex-60% 2013–2016, P-DiSC #SENSATIONAL BIRD2016- UNIPD projects and the post-doc fellowship ACTION. S.B. acknowledges financial support from the European Research Council (Starting Grant No. COLOURATOM 335078) and T.A. acknowledges funding from the Research Foundation Flanders (FWO, Belgium) through a postdoctoral grant. Many thanks are also due to Dr. Rosa Calabrese (Department of Chemistry, Padova University, Italy) for experimental assistance. (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); saraecas; ECAS_Sara; Approved Most recent IF: 4.279
Call Number EMAT @ emat @c:irua:146104UA @ admin @ c:irua:146104 Serial 4731
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Author (up) Béché, A.; Juchtmans, R.; Verbeeck, J.
Title Efficient creation of electron vortex beams for high resolution STEM imaging Type A1 Journal article
Year 2017 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 178 Issue 178 Pages 12-19
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The recent discovery of electron vortex beams carrying quantised angular momentum in the TEM has led to an active field of research, exploring a variety of potential applications including the possibility of mapping magnetic states at the atomic scale. A prerequisite for this is the availability of atomic sized electron vortex beams at high beam current and mode purity. In this paper we present recent progress showing that by making use of the Aharonov-Bohm effect near the tip of a long single domain ferromagnetic Nickel needle, a very efficient aperture for the production of electron vortex beams can be realised. The aperture transmits more than 99% of all electrons and provides a vortex mode purity of up to 92%. Placing this aperture in the condenser plane of a state of the art Cs corrected microscope allows us to demonstrate atomic resolution HAADF STEM images with spatial resolution better than 1 Angstrom, in agreement with theoretical expectations and only slightly inferior to the performance of a non-vortex probe on the same instrument.
Address EMAT, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp, Belgium
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000403862900003 Publication Date 2016-05-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.843 Times cited 30 Open Access OpenAccess
Notes A.B. and J.V. acknowledge funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant No. 278510 VORTEX. J.V. acknowledges funding from FWO project G.0044.13N ('Charge ordering').; ECASJO_; Approved Most recent IF: 2.843
Call Number c:irua:134085 c:irua:134085UA @ admin @ c:irua:134085 Serial 4094
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Author (up) Benetti, G.; Caddeo, C.; Melis, C.; Ferrini, G.; Giannetti, C.; Winckelmans, N.; Bals, S.; J Van Bael, M.; Cavaliere, E.; Gavioli, L.; Banfi, F.
Title Bottom-Up Mechanical Nanometrology of Granular Ag Nanoparticles Thin Films Type A1 Journal article
Year 2017 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 121 Issue 121 Pages 22434-22441
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Ultrathin metal nanoparticles coatings, synthesized by gas-phase deposition, are emerging as go-to materials in a variety of fields ranging from pathogens control, sensing to energy storage. Predicting their morphology and mechanical properties beyond a trial-and-error approach is a crucial issue limiting their exploitation in real-life applications. The morphology and mechanical properties of Ag nanoparticles ultrathin films, synthesized by supersonic cluster beam deposition, are here assessed adopting a bottom-up, multi-technique approach. A virtual film model is proposed merging high resolution scanning transmission electron microscopy, supersonic cluster beam dynamics and molecular dynamics simulations. The model is validated against mechanical nanometrology measurements and is readily extendable to metals other than Ag. The virtual film is shown to be a flexible and reliable predictive tool to access morphology-dependent properties such as mesoscale gas-dynamics and elasticity of ultrathin films synthesized by gas-phase deposition.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000413131700072 Publication Date 2017-09-11
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 30 Open Access OpenAccess
Notes ; All authors thank Prof. Dr. Luciano Colombo for enlightening discussions. C.C. and F.B. acknowledge financial support from the MIUR Futuro in ricerca 2013 Grant in the frame of the ULTRANANO Project (Project No. RBFR13NEA4). F.B., G.F., and C.G. acknowledge support from Universita Cattolica del Sacro Cuore through D.2.2 and D.3.1 grants. F.B. acknowledges financial support from Fondazione E.U.L.O. The authors acknowledge financial support from the European Union through the seventh Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative (Reference No. 312483 ESTEEM2). ; Approved Most recent IF: 4.536
Call Number EMAT @ emat @c:irua:145828UA @ admin @ c:irua:145828 Serial 4706
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Author (up) Blommaerts, N.; Asapu, R.; Claes, N.; Bals, S.; Lenaerts, S.; Verbruggen, S.W.
Title Gas phase photocatalytic spiral reactor for fast and efficient pollutant degradation Type A1 Journal article
Year 2017 Publication Chemical engineering journal Abbreviated Journal Chem Eng J
Volume 316 Issue 316 Pages 850-856
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL)
Abstract Photocatalytic reactors for the degradation of gaseous organic pollutants often suffer from major limitations such as small reaction area, sub-optimal irradiation conditions and thus limited reaction rate. In this work, an alternative solution is presented that involves a glass tube coated on the inside with (silvermodified) TiO2 and spiraled around a UVA lamp. First, the spiral reactor is coated from the inside with TiO2 using an experimentally verified procedure that is optimized toward UV light transmission. This procedure is kept as simple as possible and involves a single casting step of a 1 wt% suspension of TiO2 in ethanol through the spiral. This results in a coated tube that absorbs nearly all incident UV light under the experimental conditions used. The optimized coated spiral reactor is then benchmarked to a conventional annular photoreactor of the same outer dimensions and total catalyst loading over a broad range of experimental conditions. Although residence time distribution experiments indicate slightly longer dwelling of molecules in the spiral reactor, no significant difference in by-passing of gas between the spiral reactor and the annular reactor can be claimed. Acetaldehyde degradation efficiency of 100% is obtained with the spiral reactor for a residence time as low as 60 s, whereas the annular reactor could not achieve full degradation even at 1000 s residence time. In a final case study, addition of long-term stable silver nanoparticles, protected by an ultra-thin polymer shell applied via the layer-by-layer (LbL) method, to the spiral reactor coating is shown to double the degradation efficiency and provides an interesting strategy to cope with higher pollutant concentrations without changing the overall dimensions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000398985200089 Publication Date 2017-02-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1385-8947 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.216 Times cited 30 Open Access OpenAccess
Notes N.B. wishes to thank the University of Antwerp – Belgium for financial support. N.C. and S.B. acknowledge financial support from European Research Council (ERC Starting Grant #335078- COLOURATOM). S.W.V. acknowledges the Research Foundation – Flanders (FWO) for a postdoctoral fellowship. (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); ecas_sara Approved Most recent IF: 6.216
Call Number EMAT @ emat @ c:irua:140925UA @ admin @ c:irua:140925 Serial 4481
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Author (up) Bugani, S.; Modugno, F.; Lucejko, J.J.; Giachi, G.; Cagno, S.; Cloetens, P.; Janssens, K.; Morselli, L.
Title Study on the impregnation of archaeological waterlogged wood with consolidation treatments using synchrotron radiation microtomography Type A1 Journal article
Year 2009 Publication Analytical and bioanalytical chemistry Abbreviated Journal Anal Bioanal Chem
Volume 395 Issue 7 Pages 1977-1985
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract In favourable conditions of low temperature and low oxygen concentration, archaeological waterlogged wooden artefacts, such as shipwrecks, can survive with a good state of preservation. Nevertheless, anaerobic bacteria can considerably degrade waterlogged wooden objects with a significant loss in polysaccharidic components. Due to these decay processes, wood porosity and water content increase under ageing. In such conditions, the conservation treatments of archaeological wooden artefacts often involve the replacement of water with substances which fill the cavities and help to prevent collapse and stress during drying. The treatments are very often expensive and technically difficult, and their effectiveness very much depends on the chemical and physical characteristics of the substances used for impregnation. Also important are the degree of cavity-filling, penetration depth and distribution in the structure of the wood. In this study, the distribution in wood cavities of some mixtures based on polyethylene glycols and colophony, used for the conservation of waterlogged archaeological wood, was investigated using synchrotron radiation X-ray computed microtomography (SR-A mu CT). This non-destructive imaging technique was useful for the study of the degraded waterlogged wood and enabled us to visualise the morphology of the wood and the distribution of the materials used in the wood treatments. The study has shown how deposition is strictly related to the dimension of the wooden cavities. The work is currently proceeding with the comparison of synchrotron observations with the data of the solutions viscosity and with those of the properties imparted to the wood by the treatments.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000272017000005 Publication Date 2009-09-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1618-2642 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.431 Times cited 30 Open Access
Notes Approved Most recent IF: 3.431; 2009 IF: 3.480
Call Number UA @ admin @ c:irua:94493 Serial 5853
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Author (up) Burgin, J.; Langot, P.; Arbouet, A.; Margueritat, J.; Gonzalo, J.; Afonso, C.N.; Vallee, F.; Mlayah, A.; Rossell, M.D.; Van Tendeloo, G.
Title Acoustic vibration modes and electron-lattice coupling in self-assembled silver nanocolumns Type A1 Journal article
Year 2008 Publication Nano letters Abbreviated Journal Nano Lett
Volume 8 Issue 5 Pages 1296-1302
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Washington Editor
Language Wos 000255906400006 Publication Date 2008-04-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1530-6984;1530-6992; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.712 Times cited 30 Open Access
Notes Approved Most recent IF: 12.712; 2008 IF: 10.371
Call Number UA @ lucian @ c:irua:69135 Serial 53
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Author (up) da Pieve, F.; Hogan, C.; Lamoen, D.; Verbeeck, J.; Vanmeert, F.; Radepont, M.; Cotte, M.; Janssens, K.; Gonze, X.; Van Tendeloo, G.
Title Casting light on the darkening of colors in historical paintings Type A1 Journal article
Year 2013 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 111 Issue 20 Pages 208302-208305
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract The degradation of colors in historical paintings affects our cultural heritage in both museums and archeological sites. Despite intensive experimental studies, the origin of darkening of one of the most ancient pigments known to humankind, vermilion (α-HgS), remains unexplained. Here, by combining many-body theoretical spectroscopy and high-resolution microscopic x-ray diffraction, we clarify the composition of the damaged paint work and demonstrate possible physicochemical processes, induced by illumination and exposure to humidity and air, that cause photoactivation of the original pigment and the degradation of the secondary minerals. The results suggest a new path for the darkening process which was never considered by previous studies and prompt a critical examination of their findings.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000327244500003 Publication Date 2013-11-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited 30 Open Access
Notes Vortex; ERC FP7; COUNTATOMS; ECASJO_; Approved Most recent IF: 8.462; 2013 IF: 7.728
Call Number UA @ lucian @ c:irua:111396UA @ admin @ c:irua:111396 Serial 287
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Author (up) Danthurebandara, M.; Van Passel, S.; Vanderreydt, I.; Van Acker, K.
Title Assessment of environmental and economic feasibility of Enhanced Landfill Mining Type A1 Journal article
Year 2015 Publication Waste Management Abbreviated Journal Waste Manage
Volume 45 Issue Pages 434-447
Keywords A1 Journal article; Economics; Engineering Management (ENM)
Abstract This paper addresses the environmental and economic performance of Enhanced Landfill Mining (ELFM). Based on life cycle assessment and life cycle costing, a detailed model is developed and is applied to a case study, i.e. the first ELFM project in Belgium. The environmental and economic analysis is performed in order to study the valorisation of different waste types in the landfill, such as municipal solid waste, industrial waste and total waste. We found that ELFM is promising for the case study landfill as greater environmental benefits are foreseen in several impact categories compared to the landfills current situation (the Do-nothing scenario). Among the considered processes, the thermal treatment process dominates both the environmental and economic performances of ELFM. Improvements in the electrical efficiency of thermal treatment process, the calorific value of refuse derived fuel and recovery efficiencies of different waste fractions lead the performance of ELFM towards an environmentally sustainable and economically feasible direction. Although the environmental and economic profiles of ELFM will differ from case to case, the results of this analysis can be used as a benchmark for future ELFM projects.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000364796800048 Publication Date 2015-02-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0956-053x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.03 Times cited 30 Open Access
Notes ; The authors would like to acknowledge the funding of this study by the IWT-O&O ELFM project 'Closing the Circle & Enhanced Landfill Mining as part of the Transition to Sustainable Materials Management' and the valuable discussions with Group Machiels (Belgium). ; Approved Most recent IF: 4.03; 2015 IF: 3.220
Call Number UA @ admin @ c:irua:129878 Serial 6156
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Author (up) Farias, G.A.; da Costa, W.B.; Peeters, F.M.
Title Acoustical polarons and bipolarons in two dimensions Type A1 Journal article
Year 1996 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 54 Issue Pages 12835-12840
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1996VT68200039 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.736 Times cited 30 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:15790 Serial 54
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Author (up) Francesconi, M.G.; Kirbyshire, A.L.; Greaves, C.; Richard, O.; Van Tendeloo, G.
Title Synthesis and structure of Bi14O20(SO4), a new bismuth oxide sulfate Type A1 Journal article
Year 1998 Publication Chem. mater. Abbreviated Journal Chem Mater
Volume 10 Issue Pages 626-632
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000072146800027 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 30 Open Access
Notes Approved Most recent IF: 9.466; 1998 IF: 3.359
Call Number UA @ lucian @ c:irua:25660 Serial 3442
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Author (up) Govaerts, K.; Park, K.; De Beule, C.; Partoens, B.; Lamoen, D.
Title Effect of Bi bilayers on the topological states of Bi2Se3 : a first-principles study Type A1 Journal article
Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 90 Issue 15 Pages 155124
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract Bi2Se3 is a three-dimensional topological insulator which has been extensively studied because it has a single Dirac cone on the surface, inside a relatively large bulk band gap. However, the effect of two-dimensional topological insulator Bi bilayers on the properties of Bi2Se3 and vice versa, has not been explored much. Bi bilayers are often present between the quintuple layers of Bi2Se3, since (Bi2)n(Bi2Se3)m form stable ground-state structures. Moreover, Bi2Se3 is a good substrate for growing ultrathin Bi bilayers. By first-principles techniques, we first show that there is no preferable surface termination by either Bi or Se. Next, we investigate the electronic structure of Bi bilayers on top of, or inside a Bi2Se3 slab. If the Bi bilayers are on top, we observe a charge transfer to the quintuple layers that increases the binding energy of the surface Dirac cones. The extra states, originating from the Bi bilayers, were declared to form a topological Dirac cone, but here we show that these are ordinary Rashba-split states. This result, together with the appearance of a new Dirac cone that is localized slightly deeper, might necessitate the reinterpretation of several experimental results. When the Bi bilayers are located inside the Bi2Se3 slab, they tend to split the slab into two topological insulators with clear surface states. Interface states can also be observed, but an energy gap persists because of strong coupling between the neighboring quintuple layers and the Bi bilayers.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000343773200001 Publication Date 2014-10-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 30 Open Access
Notes ; We gratefully acknowledge financial support from the Research Foundation – Flanders (FWO-Vlaanderen). K.G. thanks the University of Antwerp for a Ph.D. fellowship. C.D.B. is an aspirant of the Flemish Science Foundation. This work was carried out using the HPC infrastructure at the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC, supported financially by the Hercules Foundation and the Flemish Government (EWI Department). K.P. was supported by U.S. National Science Foundation Grant No. DMR-1206354. ; Approved Most recent IF: 3.836; 2014 IF: 3.736
Call Number UA @ lucian @ c:irua:119527 Serial 800
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Author (up) Guerrero, A.; Heidari, H.; Ripolles, T.S.; Kovalenko, A.; Pfannmöller, M.; Bals, S.; Kauffmann, L.-D.; Bisquert, J.; Garcia-Belmonte, G.
Title Shelf life degradation of bulk heterojunction solar cells : intrinsic evolution of charge transfer complex Type A1 Journal article
Year 2015 Publication Laser physics review Abbreviated Journal Adv Energy Mater
Volume 5 Issue 5 Pages 1401997
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Achievement of long-term stability of organic photovoltaics is currently one of the major topics for this technology to reach maturity. Most of the techniques used to reveal degradation pathways are destructive and/or do not allow for real-time measurements in operating devices. Here, three different, nondestructive techniques able to provide real-time information, namely, film absorbance, capacitance-voltage (C-V), and impedance spectroscopy (IS), are combined over a period of 1 year using non-accelerated intrinsic degradation conditions. It is discerned between chemical modifications in the active layer, physical processes taking place in the bulk of the blend from those at the active layer/contact interfaces. In particular, it is observed that during the ageing experiment, the main source for device performance degradation is the formation of donor-acceptor charge-transfer complex (P3HT(center dot+)-PCBM center dot-) that acts as an exciton quencher. Generation of these radical species diminishes photocurrent and reduces open-circuit voltage by the creation of electronic defect states. Conclusions extracted from absorption, C-V, and IS measurements will be further supported by a range of other techniques such as atomic force microscopy, X-ray diffraction, and dark-field imaging of scanning transmission electron microscopy on ultrathin cross-sections.
Address
Corporate Author Thesis
Publisher Place of Publication S.l. Editor
Language Wos 000352708600013 Publication Date 2014-12-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1614-6832; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 16.721 Times cited 30 Open Access OpenAccess
Notes 287594 Sunflower; 335078 Colouratom; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 16.721; 2015 IF: 16.146
Call Number c:irua:126000 Serial 2994
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Author (up) Hamelet, S.; Casas-Cabanas, M.; Dupont, L.; Davoisne, C.; Tarascon, J.M.; Masquelier, C.
Title Existence of superstructures due to large amounts of Fe vacancies in the LiFePO4-type framework Type A1 Journal article
Year 2011 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 23 Issue 1 Pages 32-38
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract LiFePO4 has been under intense scrutiny over the past decade because it stands as an attractive positive electrode material for the next generation of Li-ion batteries to power electric vehicles and hybrid electric vehicles, hence the importance of its thermal behavior. The reactivity of LiFePO4 with air at moderate temperatures is shown to be dependent on its particle size. For nanosized materials, a progressive displacement of Fe from the core structure leading to a composite made of nanosize Fe2O3 and highly defective, oxidized LixFeyPO4 compositions, among which the “ideal” formula LiFe2/3PO4. Herein we report, from both temperature-controlled X-ray diffraction and electronic diffraction microscopy, that these off-stoichiometry olivine-type compounds show a defect ordering resulting in the formation of a superstructure. Such a finding shows striking similarities with the temperature-driven oxidation of fayalite Fe2SiO4 (another olivine) to structurally defective laihunite, reported in the literature three decades ago.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000285726900007 Publication Date 2010-12-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 30 Open Access
Notes Approved Most recent IF: 9.466; 2011 IF: 7.286
Call Number UA @ lucian @ c:irua:105605 Serial 1130
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Author (up) Huijben, M.; Liu, Y.; Boschker, H.; Lauter, V.; Egoavil, R.; Verbeeck, J.; te Velthuis, S.G.E.; Rijnders, G.; Koster, G.
Title Enhanced local magnetization by interface engineering in perovskite-type correlated oxide heterostructures Type A1 Journal article
Year 2015 Publication Advanced Materials Interfaces Abbreviated Journal Adv Mater Interfaces
Volume 2 Issue 2 Pages 1400416
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000349916000001 Publication Date 2015-01-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2196-7350; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.279 Times cited 30 Open Access
Notes Hercules; 246791 COUNTATOMS; 278510 VORTEX; 246102 IFOX; 312483 ESTEEM2; FWO G004413N; esteem2jra3 ECASJO; Approved Most recent IF: 4.279; 2015 IF: NA
Call Number c:irua:125333 c:irua:125333UA @ admin @ c:irua:125333 Serial 1052
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Author (up) Huvé, M.; Renard, C.; Abraham, F.; Van Tendeloo, G.; Amelinckx, S.
Title Electron microscopy of a family of hexagonal perovskites: one-dimensional structures related to Sr4Ni3O9 Type A1 Journal article
Year 1998 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 135 Issue Pages 1-16
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000072523100001 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 2.299 Times cited 30 Open Access
Notes Approved Most recent IF: 2.299; 1998 IF: 1.432
Call Number UA @ lucian @ c:irua:25656 Serial 958
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Author (up) Khalil-Allafi, J.; Amin-Ahmadi, B.
Title The effect of chemical composition on enthalpy and entropy changes of martensitic transformations in binary NiTi shape memory alloys Type P3 Proceeding
Year 2009 Publication Journal Of Alloys And Compounds Abbreviated Journal J Alloy Compd
Volume 487 Issue Pages 363-366
Keywords P3 Proceeding; Condensed Matter Theory (CMT)
Abstract In the present research work the binary NiTi alloys with various compositions in the range of 50.351 at.% Ni were used. Samples have been annealed at 850 °C for 15 min and then quenched in water. In order to characterize transformation temperatures and enthalpy changes of the forward and the reverse martensitic transformation, Differential Scanning Calorimetric (DSC) experiments were performed. The enthalpy and entropy changes as a function of Ni atomic content have been thermodynamically investigated. Results show that enthalpy and entropy changes of martensitic transformation decrease when Ni atomic content increases. The variation of enthalpy and entropy of martensitic transformation with Ni content in binary NiTi alloys were explained by thermodynamic parameters and electron concentration of alloy (e/a) respectively.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000272521900073 Publication Date 2009-07-31
Series Editor Series Title Abbreviated Series Title Proceedings of the 22nd International Conference on the Physics of Semiconductors
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 30 Open Access
Notes Approved Most recent IF: 3.133; 2009 IF: 2.135
Call Number UA @ lucian @ c:irua:122040 Serial 804
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Author (up) Kirschhock, C.E.A.; Liang, D.; Van Tendeloo, G.; Fécant, A.; Hastoye, G.; Vanbutsele, G.; Bats, N.; Guillon, E.; Martens, J.A.
Title Ordered end-member of ZSM-48 zeolite family Type A1 Journal article
Year 2009 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 21 Issue 2 Pages 371-380
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract ZSM-48 and related zeolites are considered to be highly disordered structures. Different polytypes can be clearly distinguished by simulation of high-resolution electron microscopy images. Synthesis of phase-pure polytypes was attempted. One of the investigated samples crystallized via seeding designated as COK-8 consisted of nanoscopic, needlelike crystals with a very large length/width ratio, growing along the pore direction. These specimens are phase-pure polytype 6 (PT6, numbering according to Lobo and van Koningsveld). Aggregates of these nanoneedles occasionally contained a second polytype: PT1. The latter polytype occurred more abundantly in larger crystal rods in an IZM-1 sample crystallized in ethylene glycol. Here too, the isolated crystallites mainly consist of large, defect-free regions of PT6. A simulation of polytype lattice energies offers a rational explanation for the observed polytypical intergrowth formation.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000262605200026 Publication Date 2008-12-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 30 Open Access
Notes Fwo; Goa Approved Most recent IF: 9.466; 2009 IF: 5.368
Call Number UA @ lucian @ c:irua:76032 Serial 2503
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Author (up) Li, L.L.; Peeters, F.M.
Title Quantum transport in defective phosphorene nanoribbons : effects of atomic vacancies Type A1 Journal article
Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 97 Issue 7 Pages 075414
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Defects are almost inevitably present in realistic materials and defective materials are expected to exhibit very different properties than their nondefective (perfect) counterparts. Here, using a combination of the tight-binding approach and the scattering matrix formalism, we investigate the electronic transport properties of defective phosphorene nanoribbons (PNRs) containing atomic vacancies. We find that for both armchair PNRs (APNRs) and zigzag PNRs (ZPNRs), single vacancies can create quasilocalized states, which can affect their conductance. With increasing vacancy concentration, three different transport regimes are identified: ballistic, diffusive, and Anderson localized ones. In particular, ZPNRs that are known to be metallic due to the presence of edge states become semiconducting: edge conductance vanishes and transport gap appears due to Anderson localization. Moreover, we find that for a fixed vacancy concentration, both APNRs and ZPNRs of narrower width and/or longer length are more sensitive to vacancy disorder than their wider and/or shorter counterparts, and that for the same ribbon length and width, ZPNRs are more sensitive to vacancy disorder than APNRs.
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos 000424901800006 Publication Date 2018-02-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 30 Open Access
Notes ; This work was financially supported by the Flemish Science Foundation (FWO-Vl), the FLAG-ERA TRANS 2D TMD, and by the Chinese Academy of Sciences (CAS). ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:149255UA @ admin @ c:irua:149255 Serial 4946
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Author (up) Maignan, A.; Martin, C.; Van Tendeloo, G.; Hervieu, M.; Raveau, B.
Title Ferromagnetism and magnetoresistance in monolayered manganites Ca2-xLnxMnO4 Type A1 Journal article
Year 1998 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem
Volume 8 Issue 11 Pages 2411-2416
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000076974900019 Publication Date 2002-07-26
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 30 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:25684 Serial 1182
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Author (up) Misko, V.R.; Peeters, F.M.
Title Dynamics of vortex shells in mesoscopic superconducting Corbino disks Type A1 Journal article
Year 2006 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 74 Issue 17 Pages Artn 174507
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000242409000113 Publication Date 2006-11-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 30 Open Access
Notes Approved Most recent IF: 3.836; 2006 IF: 3.107
Call Number UA @ lucian @ c:irua:61926 Serial 786
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Author (up) Mourdikoudis, S.; Altantzis, T.; Liz-Marzan, L.M.; Bals, S.; Pastoriza-Santos, I.; Perez-Juste, J.
Title Hydrophilic Pt nanoflowers: synthesis, crystallographic analysis and catalytic performance Type A1 Journal article
Year 2016 Publication CrystEngComm Abbreviated Journal Crystengcomm
Volume 18 Issue 18 Pages 3422-3427
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Water-soluble Pt nanoflowers (NFs) were prepared by a diethylene glycol-mediated reduction of Pt acetylacetonate

(Pt(acac)2) in the presence of polyethyleneimine. Advanced electron microscopy analysis showed that NFs consist of

multiple branches with truncated cubic morphology and different crystallographic orientations. We demonstrate that the

nature of the solvent strongly influences the resulting morphology. The catalytic performance of Pt NFs in 4–nitrophenol

reduction was found to be superior to that of other nanoparticle-based catalysts. Additionally, Pt NFs display good

catalytic reusability with no loss of activity after five consecutive cycles.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000375697800012 Publication Date 2016-04-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1466-8033 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.474 Times cited 30 Open Access OpenAccess
Notes The authors would like to thank J. Millos for the XRD experiments and R. Lomba for ICP-OES elemental analysis measurements at the CACTI institute in Vigo. S. Rodal-Cedeira is acknowledged for the FTIR measurement. This research project was implemented within the framework of the Action «Supporting Postdoctoral Researchers» of the Operational Program “Education and Lifelong Learning” (Action’s Beneficiary: General Secretariat for Research and Technology of Greece) and is co-financed by the European Social Fund (ESF) and the Greek State [project code PE4(1546)]. This work has been also supported by the Spanish MINECO (grant MAT2013-45168-R) and by the Xunta de Galicia/FEDER (Grant No. GPC2013-006; INBIOMED/FEDER “Unha maneira de facer Europa”). S.B. acknowledges funding from the European Research Council under the Seventh Framework Program (FP7), ERC Grant No. 335078 COLOURATOMS.; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 3.474
Call Number c:irua:133670 Serial 4067
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Author (up) Nelissen, K.; Partoens, B.; Peeters, F.M.
Title Bubble, stripe, and ring phases in a two-dimensional cluster with competing interactions Type A1 Journal article
Year 2005 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E
Volume 71 Issue Pages 066204,1-11
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000230275000049 Publication Date 2005-06-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.366 Times cited 30 Open Access
Notes Approved Most recent IF: 2.366; 2005 IF: 2.418
Call Number UA @ lucian @ c:irua:62446 Serial 258
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Author (up) Rehor, I.; Lee, K.L.; Chen, K.; Hajek, M.; Havlik, J.; Lokajova, J.; Masat, M.; Slegerova, J.; Shukla, S.; Heidari, H.; Bals, S.; Steinmetz, N.F.; Cigler, P.
Title Plasmonic nanodiamonds : targeted coreshell type nanoparticles for cancer cell thermoablation Type A1 Journal article
Year 2015 Publication Advanced healthcare materials Abbreviated Journal Adv Healthc Mater
Volume 4 Issue 4 Pages 460-468
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Targeted biocompatible nanostructures with controlled plasmonic and morphological parameters are promising materials for cancer treatment based on selective thermal ablation of cells. Here, coreshell plasmonic nanodiamonds consisting of a silica-encapsulated diamond nanocrystal coated in a gold shell are designed and synthesized. The architecture of particles is analyzed and confirmed in detail using electron tomography. The particles are biocompatibilized using a PEG polymer terminated with bioorthogonally reactive alkyne groups. Azide-modified transferrin is attached to these particles, and their high colloidal stability and successful targeting to cancer cells overexpressing the transferrin receptor are demonstrated. The particles are nontoxic to the cells and they are readily internalized upon binding to the transferrin receptor. The high plasmonic cross section of the particles in the near-infrared region is utilized to quantitatively ablate the cancer cells with a short, one-minute irradiation by a pulse 750-nm laser.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000349961600014 Publication Date 2015-02-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2192-2640; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.11 Times cited 30 Open Access OpenAccess
Notes 335078 Colouratom; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 5.11; 2015 IF: 5.797
Call Number c:irua:125375 Serial 2647
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Author (up) Sena, S.H.R.; Pereira, J.M.; Peeters, F.M.; Farias, G.A.
Title Landau levels in asymmetric graphene trilayer Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 84 Issue 20 Pages 205448-205448,7
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The electronic spectrum of three coupled graphene layers (graphene trilayers) is investigated in the presence of an external magnetic field. We obtain analytical expressions for the Landau level spectrum for both the ABA and ABC type of stacking, which exhibit very different dependence on the magnetic field. We show that layer asymmetry and an external gate voltage can strongly influence the properties of the system.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000297295400018 Publication Date 2011-11-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 30 Open Access
Notes ; This work was supported by the Brazilian Council for Research (CNPq), the National Council for the Improvement of Higher Education (CAPES), the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the bilateral projects between Flanders and Brazil and the CNPq and FWO-Vl. ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:94026 Serial 1773
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Author (up) Shanenko, A.A.; Croitoru, M.D.; Mints, R.G.; Peeters, F.M.
Title New Andreev-type states in superconducting nanowires Type A1 Journal article
Year 2007 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 99 Issue Pages 067007,1-4
Keywords A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000248664700056 Publication Date 2007-08-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited 30 Open Access
Notes Fwo -Vi; Bof-Top; Iap Approved Most recent IF: 8.462; 2007 IF: 6.944
Call Number UA @ lucian @ c:irua:69664 Serial 2304
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Author (up) Shenderova, O.; Hens, S.; Vlasov, I.; Turner, S.; Lu, Y.-G.; Van Tendeloo, G.; Schrand, A.; Burikov, S.A.; Dolenko, T.A.
Title Carbon-dot-decorated nanodiamonds Type A1 Journal article
Year 2014 Publication Particle and particle systems characterization Abbreviated Journal Part Part Syst Char
Volume 31 Issue 5 Pages 580-590
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The synthesis of a new class of fluorescent carbon nanomaterials, carbon-dot-decorated nanodiamonds (CDD-ND), is reported. These CDD-NDs are produced by specific acid treatment of detonation soot, forming tiny rounded sp2 carbon species (carbon dots), 12 atomic layers thick and 12 nm in size, covalently attached to the surface of the detonation diamond nanoparticles. A combination of nanodiamonds bonded with a graphitic phase as a starting material and the application of graphite intercalated acids for oxidation of the graphitic carbon is necessary for the successful production of CDD-ND. The CDD-ND photoluminescence (PL) is stable, 20 times more intense than the intrinsic PL of well-purified NDs and can be tailored by changing the oxidation process parameters. Carbon-dot-decorated DNDs are shown to be excellent probes for bioimaging applications and inexpensive additives for PL nanocomposites.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000335518900008 Publication Date 2014-01-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0934-0866; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.474 Times cited 30 Open Access
Notes Fwo; 262348 Esmi; 246791 Countatoms Approved Most recent IF: 4.474; 2014 IF: 3.081
Call Number UA @ lucian @ c:irua:117332 Serial 280
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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) Terzano, R.; Santoro, A.; Spagnuolo, M.; Vekemans, B.; Medici, L.; Janssens, K.; Göttlicher, J.; Denecke, M.A.; Mangold, S.; Ruggiero, P.
Title Solving mercury (Hg) speciation in soil samples by synchrotron X-ray microspectroscopic techniques Type A1 Journal article
Year 2010 Publication Environmental pollution Abbreviated Journal Environ Pollut
Volume 158 Issue 8 Pages 2702-2709
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Direct mercury (Hg) speciation was assessed for soil samples with a Hg concentration ranging from 7 up to 240 mg kg1. Hg chemical forms were identified and quantified by sequential extractions and bulkand micro-analytical techniques exploiting synchrotron generated X-rays. In particular, microspectroscopic techniques such as m-XRF, m-XRD and m-XANES were necessary to solve bulk Hg speciation, in both soil fractions <2 mm and <2 mm. The main Hg-species found in the soil samples were metacinnabar (b-HgS), cinnabar (a-HgS), corderoite (Hg3S2Cl2), and an amorphous phase containing Hg bound to chlorine and sulfur. The amount of metacinnabar and amorphous phases increased in the fraction <2 mm. No interaction among Hg-species and soil components was observed. All the observed Hgspecies originated from the slow weathering of an inert Hg-containing waste material (K106, U.S. EPA) dumped in the area several years ago, which is changing into a relatively more dangerous source of pollution.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000280571500026 Publication Date 2010-06-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0269-7491 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.099 Times cited 30 Open Access
Notes ; This research was partially financed by the MIUR (COFIN 2005) project “Innovative chemical, physical, and biological methods to characterize and remediate soils polluted by heavy metals (MICROS)”. Synchrotron experiments at HASYLAB were financially supported by the European Community-Research Infrastructure Action under the FP6 “Structuring the European Research Area” Program I(Integrating Activity on Synchrotron and Free Electron Laser Science; project: contract RII3-CT-2004-506008). This research was also performed as part of the “Interuniversity Attraction Poles” (IAP6) Program financed by the Belgian government. We thank Gerald Falkenberg and Karen Rickers-Appel for their scientific and technical support in obtaining the experimental data at Beam line L (HASYLAB, DESY, Hamburg, Germany). ; Approved Most recent IF: 5.099; 2010 IF: 3.395
Call Number UA @ admin @ c:irua:84050 Serial 5835
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