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Author | Van Havenbergh, K.; Turner, S.; Driesen, K.; Bridel, J.-S.; Van Tendeloo, G. | ||||
Title | Solidelectrolyte interphase evolution of carbon-coated silicon nanoparticles for lithium-ion batteries monitored by transmission electron microscopy and impedance spectroscopy | Type | A1 Journal article | ||
Year | 2015 | Publication | Energy technology | Abbreviated Journal | Energy Technol-Ger |
Volume | 3 | Issue | 3 | Pages | 699-708 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | The main drawbacks of silicon as the most promising anode material for lithium-ion batteries (theoretical capacity=3572 mAh g−1) are lithiation-induced volume changes and the continuous formation of a solidelectrolyte interphase (SEI) upon cycling. A recent strategy is to focus on the influence of coatings and composite materials. To this end, the evolution of the SEI, as well as an applied carbon coating, on nanosilicon electrodes during the first electrochemical cycles is monitored. Two specific techniques are combined: Transmission Electron Microscopy (TEM) is used to study the surface evolution of the nanoparticles on a very local scale, whereas electrochemical impedance spectroscopy (EIS) provides information on the electrode level. A TEMEELS fingerprint signal of carbonate structures from the SEI is discovered, which can be used to differentiate between the SEI and a graphitic carbon matrix. Furthermore, the shielding effect of the carbon coating and the thickness evolution of the SEI are described. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000357869100003 | Publication Date | 2015-06-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2194-4288; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.789 | Times cited | Open Access | ||
Notes | IWT Flanders | Approved | Most recent IF: 2.789; 2015 IF: 2.824 | ||
Call Number | c:irua:126676 | Serial | 3051 | ||
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Author | van Laer, K.; Bogaerts, A. | ||||
Title | Improving the Conversion and Energy Efficiency of Carbon Dioxide Splitting in a Zirconia-Packed Dielectric Barrier Discharge Reactor | Type | A1 Journal article | ||
Year | 2015 | Publication | Energy technology | Abbreviated Journal | Energy Technol-Ger |
Volume | 3 | Issue | 3 | Pages | 1038-1044 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The use of plasma technology for CO2 splitting is gaining increasing interest, but one of the major obstacles to date for industrial implementation is the considerable energy cost. We demonstrate that the introduction of a packing of dielectric zirconia (ZrO2) beads into a dielectric barrier discharge (DBD) plasma reactor can enhance the CO2 conversion and energy efficiency up to a factor 1.9 and 2.2, respectively, compared to that in a normal (unpacked) DBD reactor. We obtained a maximum conversion of 42 % and a maximum energy efficiency of 9.6 %. However, it is the ability of the packing to almost double both the conversion and the energy efficiency simultaneously at certain input parameters that makes it very promising. The improved conversion and energy efficiency can be explained by the higher values of the local electric field and electron energy near the contact points of the beads and the lower breakdown voltage, demonstrated by 2 D fluid modeling. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000362913600006 | Publication Date | 2015-08-19 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2194-4288 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.789 | Times cited | 59 | Open Access | |
Notes | This research was carried out in the framework of the network on Physical Chemistry of Plasma-Surface Interactions—Interuniversity Attraction Poles, phase VII (http://psiiap7.ulb.ac.be/), and supported by the Belgian Science Policy Office (BELSPO). K.V.L. is indebted to the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT Flanders) for financial support | Approved | Most recent IF: 2.789; 2015 IF: 2.824 | ||
Call Number | c:irua:128224 | Serial | 3992 | ||
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Author | De Schepper, E.; Lizin, S.; Durlinger, B.; Azadi, H.; Van Passel, S. | ||||
Title | Economic and environmental performances of small-scale rural PV solar projects under the clean development mechanism : the case of Cambodia | Type | A1 Journal article | ||
Year | 2015 | Publication | Energies | Abbreviated Journal | Energies |
Volume | 8 | Issue | 9 | Pages | 9892-9914 |
Keywords | A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) | ||||
Abstract | The two core objectives of the Clean Development Mechanism (CDM) are cost-effective emission reduction and sustainable development. Despite the potential to contribute to both objectives, solar projects play a negligible role under the CDM. In this research, the greenhouse gas mitigation cost is used to evaluate the economic and environmental performances of small-scale rural photovoltaic solar projects. In particular, we compare the use of absolute and relative mitigation costs to evaluate the attractiveness of these projects under the CDM. We encourage the use of relative mitigation costs, implying consideration of baseline costs that render the projects profitable. Results of the mitigation cost analysis are dependent on the baseline chosen. To overcome this drawback, we complement the analysis with a multi-objective optimization approach, which allows quantifying the trade-off between economic and environmental performances of the optimal technologies without requiring a baseline. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000362553000046 | Publication Date | 2015-09-15 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1996-1073 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.262 | Times cited | 6 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 2.262; 2015 IF: 2.072 | ||
Call Number | UA @ admin @ c:irua:129426 | Serial | 6187 | ||
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Author | Lybaert, J.; Maes, B.U.W.; Tehrani, K.A.; De Wael, K. | ||||
Title | The electrochemistry of tetrapropylammonium perruthenate, its role in the oxidation of primary alcohols and its potential for electrochemical recycling | Type | A1 Journal article | ||
Year | 2015 | Publication | Electrochimica acta | Abbreviated Journal | Electrochim Acta |
Volume | 182 | Issue | Pages | 693-698 | |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Organic synthesis (ORSY) | ||||
Abstract | The search for strategies aiming at more sustainable (oxidation) reactions has led to the application of electrochemistry for recycling the spent catalyst. In this work, an electrochemical study of the tetrapropylammonium perruthenate catalyst (TPAP) and its activity towards a primary alcohol, n-butanol, has been carried out as well as a control study with tert-butanol. The redox chemistry of TPAP and the transition between the perruthenate anion and ruthenium tetroxide in a non-aqueous solvent have been, for the first time, investigated in depth. The oxidation reaction of n-butanol in the presence of TPAP has been electrochemically elucidated by performing potentiostatic experiments and registration of the corresponding oxidation current. Furthermore, it was shown that, by applying a specific potential, the reoxidized TPAP is able to oxidize/convert the primary alcohol, paving the way for practical applications using TPAP in electrochemical synthesis. The conversion of n-butanol into n-butanal was proven by the use of GC-MS. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000365075800084 | Publication Date | 2015-09-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0013-4686 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.798 | Times cited | 2 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 4.798; 2015 IF: 4.504 | ||
Call Number | UA @ admin @ c:irua:127676 | Serial | 5599 | ||
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Author | Pilehvar, S.; Jambrec, D.; Gebala, M.; Schuhmann, W.; De Wael, K. | ||||
Title | Intercalation of proflavine in ssDNA aptamers : effect on binding of the specific target chloramphenicol | Type | A1 Journal article | ||
Year | 2015 | Publication | Electroanalysis | Abbreviated Journal | Electroanal |
Volume | 27 | Issue | 8 | Pages | 1836-1841 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | The structural modification of ssDNA-based aptamers upon specific binding of its target molecule leads to changes of the charge-transfer resistance (Rct) of a negatively-charged free-diffusing redox probe. The aptamer adopts a structure due to self-hybridization which is stabilized using profalvine as intercalator. The pre-organized aptamer structure is used to detect chloramphenicol (CAP) requiring a substantial change of the aptamer structure indicated by a CAP concentration dependent increase in the Rct values. Pre-incubation of the aptamer-modified electrode with an intercalator allows for the modulation of the aptamer/target interaction and hence for a modulation of the CAP-dependent variation of the Rct values. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000359737500006 | Publication Date | 2015-06-12 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1040-0397 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.851 | Times cited | 5 | Open Access | |
Notes | ; D. J., M. G., W. S. are grateful for financial support to the Deutsch-Israelische Projektkooperation (DIP) in the framework of the project “Nanoengineered optoelectronics with biomaterials and bioinspired assemblies” funded by the Deutsche Forschungsgemeinschaft. S. P. and K. D. W. are thankful to UA for DOCPRO financial support. ; | Approved | Most recent IF: 2.851; 2015 IF: 2.138 | ||
Call Number | UA @ admin @ c:irua:126494 | Serial | 5666 | ||
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Author | Sankaran, K.; Clima, S.; Mees, M.; Pourtois, G. | ||||
Title | Exploring alternative metals to Cu and W for interconnects applications using automated first-principles simulations | Type | A1 Journal article | ||
Year | 2015 | Publication | ECS journal of solid state science and technology | Abbreviated Journal | Ecs J Solid State Sc |
Volume | 4 | Issue | 4 | Pages | N3127-N3133 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The bulk properties of elementary metals and copper based binary alloys have been investigated using automated first-principles simulations to evaluate their potential to replace copper and tungsten as interconnecting wires in the coming CMOS technology nodes. The intrinsic properties of the screened candidates based on their cohesive energy and on their electronic properties have been used as a metrics to reflect their resistivity and their sensitivity to electromigration. Using these values, the 'performances' of the alloys have been benchmarked with respect to the Cu and W ones. It turns out that for some systems, alloying Cu with another element leads to a reduced tendency to electromigration. This is however done at the expense of a decrease of the conductivity of the alloy with respect to the bulk metal. (C) 2014 The Electrochemical Society. All rights reserved. | ||||
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Publisher | Electrochemical society | Place of Publication | Pennington (N.J.) | Editor | |
Language | Wos | 000349547900018 | Publication Date | 2014-11-19 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 2162-8769;2162-8777; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.787 | Times cited | 19 | Open Access | |
Notes | Approved | Most recent IF: 1.787; 2015 IF: 1.558 | |||
Call Number | c:irua:125296 | Serial | 1150 | ||
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Author | Kaminsky, F.V.; Ryabchikov, I.D.; McCammon, C.A.; Longo, M.; Abakumov, A.M.; Turner, S.; Heidari, H. | ||||
Title | Oxidation potential in the Earth's lower mantle as recorded by ferropericlase inclusions in diamond | Type | A1 Journal article | ||
Year | 2015 | Publication | Earth and planetary science letters | Abbreviated Journal | Earth Planet Sc Lett |
Volume | 417 | Issue | 417 | Pages | 49-56 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Ferropericlase (fPer) inclusions from kimberlitic lower-mantle diamonds recovered in the Juina area, Mato Grosso State, Brazil were analyzed with transmission electron microscopy, electron energy-loss spectroscopy and the flank method. The presence of exsolved non-stoichiometric Fe3+-enriched clusters, varying in size from 1-2 nm to 10-15 nm and comprising similar to 3.64 vol.% of fPer was established. The oxidation conditions necessary for fPer formation within the uppermost lower mantle (P = 25 GPa, T = 1960 K) vary over a wide range: Delta log f(o2) (IW) from 1.58 to 7.76 (Delta = 6.2), reaching the fayalite-magnetite-quartz (FMQ) oxygen buffer position. This agrees with the identification of carbonates and free silica among inclusions within lower-mantle Juina diamonds. On the other hand, at the base of the lower mantle Delta log f(o2) values may lie at and below the iron-wustite (IW) oxygen buffer. Hence, the variations of Delta log f(o2) values within the entire sequence of the lower mantle may reach ten logarithmic units, varying from the IW buffer to the FMQ buffer values. The similarity between lower- and upper-mantle redox conditions supports whole mantle convection, as already suggested on the basis of nitrogen and carbon isotopic compositions in lower- and upper-mantle diamonds. The mechanisms responsible for redox differentiation in the lower mantle may include subduction of oxidized crustal material, mechanical separation of metallic phase(s) and silicate-oxide mineral assemblages enriched in ferric iron, as well as transfer of fused silicate-oxide material presumably also enriched in ferric iron through the mantle. (C) 2015 Elsevier B.V. All rights reserved. | ||||
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Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000351799400006 | Publication Date | 2015-03-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0012-821X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.409 | Times cited | 23 | Open Access | |
Notes | Approved | Most recent IF: 4.409; 2015 IF: 4.734 | |||
Call Number | c:irua:125451 | Serial | 2539 | ||
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Author | Anaf, W.; Schalm, O.; Janssens, K.; De Wael, K. | ||||
Title | Understanding the (in)stability of semiconductor pigments by a thermodynamic approach | Type | A1 Journal article | ||
Year | 2015 | Publication | Dyes and pigments | Abbreviated Journal | Dyes Pigments |
Volume | 113 | Issue | Pages | 409-415 | |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES) | ||||
Abstract | Several artists pigments are semiconductors. Some of these materials appear stable over time, whereas others already show remarkable signs of degradation after limited time periods. The (in)stability of these pigments can be understood using a thermodynamic approach. For several pigment-related materials, the thermodynamic oxidation and reduction potential (ϕox and ϕred) were determined and evaluated considering the absolute energy positions of the valence and conduction band edges and the water redox potentials. The positions of ϕox and ϕred can be used in a fast screening of the stability of semiconductor pigments towards photoinduced corrosion in an aqueous/humid environment. This theoretical approach corresponds well with experimental data on pigment permanence and degradation phenomena found in literature. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000346543200052 | Publication Date | 2014-09-16 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 0143-7208 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.473 | Times cited | 14 | Open Access | |
Notes | ; The authors acknowledge the funding from the Belspo S2-ART project (Belgian Federal Government) SD/RI/04A. ; | Approved | Most recent IF: 3.473; 2015 IF: 3.966 | ||
Call Number | UA @ admin @ c:irua:118875 | Serial | 5885 | ||
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Author | Tyablikov, O.A.; Batuk, D.; Tsirlin, A.A.; Batuk, M.; Verchenko, V.Y.; Filimonov, D.S.; Pokholok, K.V.; Sheptyakov, D.V.; Rozova, M.G.; Hadermann, J.; Antipov, E.V.; Abakumov, A.M.; | ||||
Title | {110}-Layered B-cation ordering in the anion-deficient perovskite Pb2.4Ba2.6Fe2Sc2TiO13 with the crystallographic shear structure | Type | A1 Journal article | ||
Year | 2015 | Publication | Journal of the Chemical Society : Dalton transactions | Abbreviated Journal | Dalton T |
Volume | 44 | Issue | 44 | Pages | 10753-10762 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | A novel anion-deficient perovskite-based compound, Pb2.4Ba2.6Fe2Sc2TiO13, was synthesized via the citrate-based route. This compound is an n = 5 member of the A(n)B(n)O(3n-2) homologous series with unit-cell parameters related to the perovskite subcell a(p) approximate to 4.0 angstrom as a(p)root 2 x a(p) x 5a(p)root 2. The crystal structure of Pb2.4Ba2.6Fe2Sc2TiO13 consists of quasi-2D perovskite blocks with a thickness of three octahedral layers separated by the 1/2[110]((1) over bar 01)(p) crystallographic shear (CS) planes, which are parallel to the {110} plane of the perovskite subcell. The CS planes transform the corner-sharing octahedra into chains of edge-sharing distorted tetragonal pyramids. Using a combination of neutron powder diffraction, Fe-57 Mossbauer spectroscopy and atomic resolution electron energy-loss spectroscopy we demonstrate that the B-cations in Pb2.4Ba2.6Fe2Sc2TiO13 are ordered along the {110} perovskite layers with Fe3+ in distorted tetragonal pyramids along the CS planes, Ti4+ preferentially in the central octahedra of the perovskite blocks and Sc3+ in the outer octahedra of the perovskite blocks. Magnetic susceptibility and Mossbauer spectroscopy indicate a broadened magnetic transition around T-N similar to 45 K and the onset of local magnetic fields at low temperatures. The magnetic order is probably reminiscent of that in other A(n)B(n)O(3n-2) homologues, where G-type AFM order within the perovskite blocks has been observed. | ||||
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Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000355701000026 | Publication Date | 2015-01-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1477-9226;1477-9234; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.029 | Times cited | 1 | Open Access | |
Notes | Approved | Most recent IF: 4.029; 2015 IF: 4.197 | |||
Call Number | c:irua:127001 | Serial | 22 | ||
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Author | Lin, F.; Meng; Kukueva, E.; Altantzis, T.; Mertens, M.; Bals, S.; Cool, P.; Van Doorslaer, S. | ||||
Title | Direct-synthesis method towards copper-containing periodic mesoporous organosilicas : detailed investigation of the copper distribution in the material | Type | A1 Journal article | ||
Year | 2015 | Publication | Journal of the Chemical Society : Dalton transactions | Abbreviated Journal | Dalton T |
Volume | 44 | Issue | 44 | Pages | 9970-9979 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) | ||||
Abstract | Three-dimensional cubic Fm (3) over barm mesoporous copper-containing ethane-bridged PMO materials have been prepared through a direct-synthesis method at room temperature in the presence of cetyltrimethylammonium bromide as surfactant. The obtained materials have been unambiguously characterized in detail by several sophisticated techniques, including XRD, UV-Vis-Dr, TEM, elemental mapping, continuous- wave and pulsed EPR spectroscopy. The results show that at lower copper loading, the Cu2+ species are well dispersed in the Cu-PMO materials, and mainly exist as mononuclear Cu2+ species. At higher copper loading amount, Cu2+ clusters are observed in the materials, but the distribution of the Cu2+ species is still much better in the Cu-PMO materials prepared through the direct-synthesis method than in a Cu-containing PMO material prepared through an impregnation method. Moreover, the evolution of the copper incorporation during the PMO synthesis has been followed by EPR. The results show that the immobilization of the Cu2+ ion/complex and the formation of the PMO materials are taking place simultaneously. The copper ions are found to be situated on the inner surface of the mesopores of the materials and are accessible, which will be beneficial for the catalytic applications. | ||||
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Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000355000700028 | Publication Date | 2015-04-28 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1477-9226;1477-9234; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.029 | Times cited | 11 | Open Access | OpenAccess |
Notes | Goa-Bof; 335078 Colouratom; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); | Approved | Most recent IF: 4.029; 2015 IF: 4.197 | ||
Call Number | c:irua:126422 | Serial | 725 | ||
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Author | Charkin, D.O.; Akinfiev, V.S.; Alekseeva, A.M.; Batuk, M.; Abakumov, A.M.; Kazakov, S.M. | ||||
Title | Synthesis and cation distribution in the new bismuth oxyhalides with the Sillen-Aurivillius intergrowth structures | Type | A1 Journal article | ||
Year | 2015 | Publication | Journal of the Chemical Society : Dalton transactions | Abbreviated Journal | Dalton T |
Volume | 44 | Issue | 44 | Pages | 20568-20576 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | About 20 new compounds with the Sillen-Aurivillius intergrowth structure, (MeMeBi3Nb2O11X)-Me-1-Bi-2 (Me-1 = Pb, Sr, Ba; Me-2 = Ca, Sr, Ba; X = Cl, Br, I), have been prepared. They are composed of stacking of [ANb(2)O(7)] perovskite blocks, fluorite-type [M2O2] blocks and halogen sheets. The cation distribution between the fluorite and perovskite layers has been studied for Ba2Bi3Nb2O11I, Ca1.25Sr0.75Bi3Nb2O11Cl, BaCaBi3Nb2O11Br and Sr2Bi3Nb2O11Cl. The smaller Me cations tend to reside in the perovskite block while the larger ones are situated in the fluorite-type block. The distribution of the elements was confirmed for BaCaBi3Nb2O11Br using energy dispersive X-ray analysis combined with scanning transmission electron microscopy (STEM-EDX). An electron diffraction study of this compound reveals a local symmetry lowering caused by weakly correlated rotation of NbO6 octahedra. Based on our findings, we suggest a new stability criterion for mixed-layer structures, which is that net charges of any two consecutive layers do not compensate for each other and only the whole layer sequence is electroneutral. | ||||
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Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000365411500036 | Publication Date | 2015-10-30 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 0300-9246; 1477-9226; 1472-7773 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.029 | Times cited | 5 | Open Access | |
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ lucian @ c:irua:130330 | Serial | 4256 | ||
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Author | Barreca, D.; Carraro, G.; Warwick, M.E.A.; Kaunisto, K.; Gasparotto, A.; Gombac, V.; Sada, C.; Turner, S.; Van Tendeloo, G.; Maccato, C.; Fornasiero, P.; | ||||
Title | Fe2O3-TiO2 nanosystems by a hybrid PE-CVD/ALD approach : controllable synthesis, growth mechanism, and photocatalytic properties | Type | A1 Journal article | ||
Year | 2015 | Publication | CrystEngComm | Abbreviated Journal | Crystengcomm |
Volume | 17 | Issue | 17 | Pages | 6219-6226 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Supported Fe2O3–TiO2 nanocomposites are fabricated by an original vapor phase synthetic strategy, consisting of the initial growth of Fe2O3 nanosystems on fluorine-doped tin oxide substrates by plasma enhanced-chemical vapor deposition, followed by atomic layer deposition of TiO2 overlayers with variable thickness, and final thermal treatment in air. A thorough characterization of the target systems is carried out by X-ray diffraction, atomic force microscopy, field emission-scanning electron microscopy, energy dispersive X-ray spectroscopy, transmission electron microscopy, and X-ray photoelectron spectroscopy. High purity nanomaterials characterized by the co-presence of Fe2O3 (hematite) and TiO2 (anatase), with an intimate Fe2O3–TiO2 contact, are successfully obtained. In addition, photocatalytic tests demonstrate that, whereas both single-phase oxides do not show appreciable activity, the composite systems are able to degrade methyl orange aqueous solutions under simulated solar light, and even visible light, with an efficiency directly dependent on TiO2 overlayer thickness. This finding opens attractive perspectives for eventual applications in wastewater treatment. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000358915300018 | Publication Date | 2015-07-23 | |
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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 | 25 | Open Access | |
Notes | The research leading to these results has received funding from the FP7 project “SOLAROGENIX” IJNMP4-SL-2012- 310333), as well as from Padova University ex-60% 2012–2015 projects, grant no. CPDR132937/13 (SOLLEONE), and Regione Lombardia-INSTM ATLANTE projects. S. T. acknowledges the FWO Flanders for a post-doctoral scholarship. Thanks are also due to Prof. S. Mathur and Dr. Y. Gönüllü (Department of Chemistry, Cologne University, Germany) for their precious help and assistance in ALD depositions, and to Prof. E. Bontempi (Chemistry for Technologies Laboratory, Brescia University, Italy) for XRD analyses. | Approved | Most recent IF: 3.474; 2015 IF: 4.034 | ||
Call Number | c:irua:127237 | Serial | 3531 | ||
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Author | Arsoski, V.V.; Čukarić, N.A.; Tadic, M.Z.; Peeters, F.M. | ||||
Title | An efficient finite-difference scheme for computation of electron states in free-standing and core-shell quantum wires | Type | A1 Journal article | ||
Year | 2015 | Publication | Computer physics communications | Abbreviated Journal | Comput Phys Commun |
Volume | 197 | Issue | 197 | Pages | 17-26 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | The electron states in axially symmetric quantum wires are computed by means of the effective-mass Schrodinger equation, which is written in cylindrical coordinates phi, rho, and z. We show that a direct discretization of the Schrodinger equation by central finite differences leads to a non-symmetric Hamiltonian matrix. Because diagonalization of such matrices is more complex it is advantageous to transform it in a symmetric form. This can be done by the Liouville-like transformation proposed by Rizea et al. (2008), which replaces the wave function psi(rho) with the function F(rho) = psi(rho)root rho and transforms the Hamiltonian accordingly. Even though a symmetric Hamiltonian matrix is produced by this procedure, the computed wave functions are found to be inaccurate near the origin, and the accuracy of the energy levels is not very high. In order to improve on this, we devised a finite-difference scheme which discretizes the Schrodinger equation in the first step, and then applies the Liouville-like transformation to the difference equation. Such a procedure gives a symmetric Hamiltonian matrix, resulting in an accuracy comparable to the one obtained with the finite element method. The superior efficiency of the new finite-difference scheme (FDM) is demonstrated for a few p-dependent one-dimensional potentials which are usually employed to model the electron states in free-standing and core shell quantum wires. The new scheme is compared with the other FDM schemes for solving the effective-mass Schrodinger equation, and is found to deliver energy levels with much smaller numerical error for all the analyzed potentials. It also gives more accurate results than the scheme of Rizea et al., except for the ground state of an infinite rectangular potential in freestanding quantum wires. Moreover, the PT symmetry is invoked to explain similarities and differences between the considered FDM schemes. (C) 2015 Elsevier B.V. All rights reserved. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000362919500003 | Publication Date | 2015-08-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0010-4655 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.936 | Times cited | 4 | Open Access | |
Notes | ; This work was supported by the Ministry of Education, Science, and Technological Development of Serbia (project III 45003) and the Fonds Wetenschappelijk Onderzoek (Belgium). ; | Approved | Most recent IF: 3.936; 2015 IF: 3.112 | ||
Call Number | UA @ lucian @ c:irua:129412 | Serial | 4139 | ||
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Author | Ercolani, G.; Gorle, C.; Garcia Sánchez, C.; Corbari, C.; Mancini, M. | ||||
Title | RAMS and WRF sensitivity to grid spacing in large-eddy simulations of the dry convective boundary layer | Type | A1 Journal article | ||
Year | 2015 | Publication | Computers and fluids | Abbreviated Journal | Comput Fluids |
Volume | 123 | Issue | 123 | Pages | 54-71 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Large-eddy simulations (LESS) are frequently used to model the planetary boundary layer, and the choice of the grid cell size, numerical schemes and sub grid model can significantly influence the simulation results. In the present paper the impact of grid spacing on LES of an idealized atmospheric convective boundary layer (CBL), for which the statistics and flow structures are well understood, is assessed for two mesoscale models: the Regional Atmospheric Modeling System (RAMS) and the Weather Research and Forecasting model (WRF). Nine simulations are performed on a fixed computational domain (6 x 6 x 2 km), combining three different horizontal (120, 60, 30 m) and vertical (20, 10, 5 m) spacings. The impact of the cell size on the CBL is investigated by comparing turbulence statistics and velocity spectra. The results demonstrate that both WRF and RAMS can perform LES of the CBL under consideration without requiring extremely high computational loads, but they also indicate the importance of adopting a computational grid that is adequate for the numerical schemes and subgrid models used. In both RAMS and WRF a horizontal cell size of 30 m is required to obtain a suitable turbulence reproduction throughout the CBL height. Considering the vertical grid spacing, WRF produced similar results for all the three tested values, while in RAMS it should be ensured that the aspect ratio of the cells does not exceed a value of 3. The two models were found to behave differently in function of the grid resolution, and they have different shortcomings in their prediction of CBL turbulence. WRF exhibits enhanced damping at the smallest scales, while RAMS is prone to the appearance of spurious fluctuations in the flow when the grid aspect ratio is too high. (C) 2015 Elsevier Ltd. All rights reserved. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Oxford | Editor | ||
Language | Wos | 000365367500006 | Publication Date | 2015-10-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0045-7930 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.313 | Times cited | 3 | Open Access | |
Notes | Approved | Most recent IF: 2.313; 2015 IF: 1.619 | |||
Call Number | UA @ lucian @ c:irua:130200 | Serial | 4236 | ||
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Author | Chaves, A.; Farias, G.A.; Peeters, F.M.; Ferreira, R. | ||||
Title | The Split-operator technique for the study of spinorial wavepacket dynamics | Type | A1 Journal article | ||
Year | 2015 | Publication | Communications in computational physics | Abbreviated Journal | Commun Comput Phys |
Volume | 17 | Issue | 17 | Pages | 850-866 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | The split-operator technique for wave packet propagation in quantum systems is expanded here to the case of propagatingwave functions describing Schrodinger particles, namely, charge carriers in semiconductor nanostructures within the effective mass approximation, in the presence of Zeeman effect, as well as of Rashba and Dresselhaus spin-orbit interactions. We also demonstrate that simple modifications to the expanded technique allow us to calculate the time evolution of wave packets describing Dirac particles, which are relevant for the study of transport properties in graphene. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000353695400010 | Publication Date | 2015-03-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1815-2406;1991-7120; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.004 | Times cited | 24 | Open Access | |
Notes | ; The authors gratefully acknowledge fruitful discussions with J. M. Pereira Jr. and R. N. Costa Filho. This work was financially supported by CNPq through the INCT-NanoBioSimes and the Science Without Borders programs (contract 402955/ 2012-9), PRONEX/FUNCAP, CAPES, the Bilateral programme between Flanders and Brazil, and the Flemish Science Foundation (FWO-Vl). ; | Approved | Most recent IF: 2.004; 2015 IF: 1.943 | ||
Call Number | c:irua:126028 | Serial | 3593 | ||
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Author | Semkina, A.; Abakumov, M.; Grinenko, N.; Abakumov, A.; Skorikov, A.; Mironova, E.; Davydova, G.; Majouga, A.G.; Nukolova, N.; Kabanov, A.; Chekhonin, V.; | ||||
Title | Core-shell-corona doxorubicin-loaded superparamagnetic Fe3O4 nanoparticles for cancer theranostics | Type | A1 Journal article | ||
Year | 2015 | Publication | Colloids and surfaces: B : biointerfaces | Abbreviated Journal | Colloid Surface B |
Volume | 136 | Issue | 136 | Pages | 1073-1080 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Superparamagnetic iron oxide magnetic nanoparticles (MNPs) are successfully used as contrast agents in magnetic-resonance imaging. They can be easily functionalized for drug delivery functions, demonstrating great potential for both imaging and therapeutic applications. Here we developed new pH-responsive theranostic core-shell-corona nanoparticles consisting of superparamagentic Fe3O4 core that displays high T2 relaxivity, bovine serum albumin (BSA) shell that binds anticancer drug, doxorubicin (Dox) and poly(ethylene glycol) (PEG) corona that increases stability and biocompatibility. The nanoparticles were produced by adsorption of the BSA shell onto the Fe3O4 core followed by crosslinking of the protein layer and subsequent grafting of the PEG corona using monoamino-terminated PEG via carbodiimide chemistry. The hydrodynamic diameter, zeta-potential, composition and T2 relaxivity of the resulting nanoparticles were characterized using transmission electron microscopy, dynamic light scattering, thermogravimetric analysis and T2-relaxometry. Nanoparticles were shown to absorb Dox molecules, possibly through a combination of electrostatic and hydrophobic interactions. The loading capacity (LC) of the nanoparticles was 8 wt.%. The Dox loaded nanoparticles release the drug at a higher rate at pH 5.5 compared to pH 7.4 and display similar cytotoxicity against C6 and HEK293 cells as the free Dox. (C) 2015 Elsevier B.V. All rights reserved. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000367408100131 | Publication Date | 2015-11-10 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0927-7765 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.887 | Times cited | 37 | Open Access | |
Notes | Approved | Most recent IF: 3.887; 2015 IF: 4.152 | |||
Call Number | UA @ lucian @ c:irua:131075 | Serial | 4157 | ||
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Author | Aerts, R.; Somers, W.; Bogaerts, A. | ||||
Title | Carbon dioxide splitting in a dielectric barrier discharge plasma : a combined experimental and computational study | Type | A1 Journal article | ||
Year | 2015 | Publication | Chemsuschem | Abbreviated Journal | Chemsuschem |
Volume | 8 | Issue | 8 | Pages | 702-716 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Plasma technology is gaining increasing interest for the splitting of CO2 into CO and O2. We have performed experiments to study this process in a dielectric barrier discharge (DBD) plasma with a wide range of parameters. The frequency and dielectric material did not affect the CO2 conversion and energy efficiency, but the discharge gap can have a considerable effect. The specific energy input has the most important effect on the CO2 conversion and energy efficiency. We have also presented a plasma chemistry model for CO2 splitting, which shows reasonable agreement with the experimental conversion and energy efficiency. This model is used to elucidate the critical reactions that are mostly responsible for the CO2 conversion. Finally, we have compared our results with other CO2 splitting techniques and we identified the limitations as well as the benefits and future possibilities in terms of modifications of DBD plasmas for greenhouse gas conversion in general. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Weinheim | Editor | ||
Language | Wos | 000349954400019 | Publication Date | 2015-01-16 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1864-5631; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 7.226 | Times cited | 131 | Open Access | |
Notes | Approved | Most recent IF: 7.226; 2015 IF: 7.657 | |||
Call Number | c:irua:123930 | Serial | 279 | ||
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Author | Schutyser, W.; Van den Bosch, S.; Dijkmans, J.; Turner, S.; Meledina, M.; Van Tendeloo, G.; Debecker, D.P.; Sels, B.F. | ||||
Title | Selective nickel-catalyzed conversion of model and lignin-derived phenolic compounds to cyclohexanone-based polymer building blocks | Type | A1 Journal article | ||
Year | 2015 | Publication | Chemsuschem | Abbreviated Journal | Chemsuschem |
Volume | 8 | Issue | 8 | Pages | 1805-1818 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Valorization of lignin is essential for the economics of future lignocellulosic biorefineries. Lignin is converted into novel polymer building blocks through four steps: catalytic hydroprocessing of softwood to form 4-alkylguaiacols, their conversion into 4-alkylcyclohexanols, followed by dehydrogenation to form cyclohexanones, and Baeyer-Villiger oxidation to give caprolactones. The formation of alkylated cyclohexanols is one of the most difficult steps in the series. A liquid-phase process in the presence of nickel on CeO2 or ZrO2 catalysts is demonstrated herein to give the highest cyclohexanol yields. The catalytic reaction with 4-alkylguaiacols follows two parallel pathways with comparable rates: 1) ring hydrogenation with the formation of the corresponding alkylated 2-methoxycyclohexanol, and 2) demethoxylation to form 4-alkylphenol. Although subsequent phenol to cyclohexanol conversion is fast, the rate is limited for the removal of the methoxy group from 2-methoxycyclohexanol. Overall, this last reaction is the rate-limiting step and requires a sufficient temperature (> 250 degrees C) to overcome the energy barrier. Substrate reactivity (with respect to the type of alkyl chain) and details of the catalyst properties (nickel loading and nickel particle size) on the reaction rates are reported in detail for the Ni/CeO2 catalyst. The best Ni/CeO2 catalyst reaches 4-alkylcyclohexanol yields over 80 %, is even able to convert real softwood-derived guaiacol mixtures and can be reused in subsequent experiments. A proof of principle of the projected cascade conversion of lignocellulose feedstock entirely into caprolactone is demonstrated by using Cu/ZrO2 for the dehydrogenation step to produce the resultant cyclohexanones (approximate to 80%) and tin-containing beta zeolite to form 4-alkyl-e-caprolactones in high yields, according to a Baeyer-Villiger-type oxidation with H2O2. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Weinheim | Editor | ||
Language | Wos | 000355220300020 | Publication Date | 2015-04-16 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1864-5631; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 7.226 | Times cited | 71 | Open Access | |
Notes | Fwo | Approved | Most recent IF: 7.226; 2015 IF: 7.657 | ||
Call Number | c:irua:126406 | Serial | 2967 | ||
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Author | Zhong, R.; Peng, L.; de Clippel, F.; Gommes, C.; Goderis, B.; Ke, X.; Van Tendeloo, G.; Jacobs, P.A.; Sels, B.F. | ||||
Title | An eco-friendly soft template synthesis of mesostructured silica-carbon nanocomposites for acid catalysis | Type | A1 Journal article | ||
Year | 2015 | Publication | ChemCatChem | Abbreviated Journal | Chemcatchem |
Volume | 7 | Issue | 7 | Pages | 3047-3058 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The synthesis of ordered mesoporous silica-carbon composites was explored by employing TEOS and sucrose as the silica and carbon precursor respectively, and the triblock copolymer F127 as a structure-directing agent via an evaporation-induced self-assembly (EISA) process. It is demonstrated that the synthesis procedures allow for control of the textural properties and final composition of these silica-carbon nanocomposites via adjustment of the effective SiO2/C weight ratio. Characterization by SAXS, N-2 physisorption, HRTEM, TGA, and C-13 and Si-29 solid-state MAS NMR show a 2D hexagonal mesostructure with uniform large pore size ranging from 5.2 to 7.6nm, comprising of separate carbon phases in a continuous silica phase. Ordered mesoporous silica and non-ordered porous carbon can be obtained by combustion of the pyrolyzed nanocomposites in air or etching with HF solution, respectively. Sulfonic acid groups can be readily introduced to such kind of silica-carbon nanocomposites by a standard sulfonation procedure with concentrated sulfuric acid. Excellent acid-catalytic activities and selectivities for the dimerization of styrene to produce 1,3-diphenyl-1-butene and dimerization of -methylstyrene to unsaturated dimers were demonstrated with the sulfonated materials. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000361189400037 | Publication Date | 2015-09-03 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1867-3880; 1867-3899 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.803 | Times cited | 13 | Open Access | |
Notes | Approved | Most recent IF: 4.803; 2015 IF: 4.556 | |||
Call Number | UA @ lucian @ c:irua:127836 | Serial | 4138 | ||
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Author | Cabana, L.; Gonzalez-Campo, A.; Ke, X.; Van Tendeloo, G.; Nunez, R.; Tobias, G. | ||||
Title | Efficient Chemical Modification of Carbon Nanotubes with Metallacarboranes | Type | A1 Journal article | ||
Year | 2015 | Publication | Chemistry: a European journal | Abbreviated Journal | Chem-Eur J |
Volume | 21 | Issue | 21 | Pages | 16792-16795 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | As-produced single-walled carbon nanotubes (SWCNTs) tend to aggregate in bundles due to pi-pi interactions. Several approaches are nowadays available to debundle, at least partially, the nanotubes through surface modification by both covalent and noncovalent approaches. Herein, we explore different strategies to afford an efficient covalent functionalization of SWCNTs with cobaltabisdicarbollide anions. Aberration-corrected HRTEM analysis reveals the presence of metallacarboranes along the walls of the SWCNTs. This new family of materials presents an outstanding water dispersibility that facilitates its processability for potential applications. | ||||
Address | Institut de Ciencia de Materials de Barcelona (ICMAB-CSIC), Campus Universitari de la UAB. 08193, Bellaterra (Spain). gerard.tobias@icmab.es | ||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000366501600011 | Publication Date | 2015-10-06 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0947-6539; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 5.317 | Times cited | 5 | Open Access | |
Notes | The research leading to these results received financial support from MINECO (MAT2014-53500-R; CTQ2013-44670-R), Generalitat de Catalunya (2014/SGR/149), and from the European Commission under the FP7 ITN Marie-Curie Network programme RADDEL (grant agreement 290023), the Integrated Infrastructure Initiative No. 262348 European Soft Matter Infrastructure (ESMI) and the European Research Council, ERC Grant No 246791-COUNTATOMS. A.G.C. thanks the CSIC for the JAE-DOC grant. | Approved | Most recent IF: 5.317; 2015 IF: 5.731 | ||
Call Number | c:irua:129215 | Serial | 3964 | ||
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Author | Sun, Z.; Madej, E.; Wiktor; Sinev, I.; Fischer, R.A.; Van Tendeloo, G.; Muhler, M.; Schuhmann, W.; Ventosa, E. | ||||
Title | One-pot synthesis of carbon-coated nanostructured iron oxide on few-layer graphene for lithium-ion batteries | Type | A1 Journal article | ||
Year | 2015 | Publication | Chemistry: a European journal | Abbreviated Journal | Chem-Eur J |
Volume | 21 | Issue | 21 | Pages | 16154-16161 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Nanostructure engineering has been demonstrated to improve the electrochemical performance of iron oxide based electrodes in Li-ion batteries (LIBs). However, the synthesis of advanced functional materials often requires multiple steps. Herein, we present a facile one-pot synthesis of carbon-coated nanostructured iron oxide on few-layer graphene through high-pressure pyrolysis of ferrocene in the presence of pristine graphene. The ferrocene precursor supplies both iron and carbon to form the carbon-coated iron oxide, while the graphene acts as a high-surface-area anchor to achieve small metal oxide nanoparticles. When evaluated as a negative-electrode material for LIBs, our composite showed improved electrochemical performance compared to commercial iron oxide nanopowders, especially at fast charge/discharge rates. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Weinheim | Editor | ||
Language | Wos | 000363890700036 | Publication Date | 2015-09-11 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0947-6539 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 5.317 | Times cited | 8 | Open Access | |
Notes | Approved | Most recent IF: 5.317; 2015 IF: 5.731 | |||
Call Number | UA @ lucian @ c:irua:129510 | Serial | 4218 | ||
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Author | Lieberman, C.M.; Filatov, A.S.; Wei, Z.; Rogachev, A.Y.; Abakumov, A.M.; Dikarev, E.V. | ||||
Title | Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors | Type | A1 Journal article | ||
Year | 2015 | Publication | Chemical science | Abbreviated Journal | Chem Sci |
Volume | 6 | Issue | 6 | Pages | 2835-2842 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | A novel series of mixed-valent, heteroleptic transition metal diketonates that can be utilized as prospective single-source precursors for the low-temperature preparation of oxide materials are reported. The first mixed-valent iron beta-diketonates with different Fe-III/Fe-II ratios have been synthesized by applying the mixed-ligand approach. Based on nearly quantitative reaction yields and analysis of iron-oxygen bonds, these compounds were formulated as [Fe-III(acac)(3)][Fe-II(hfac)(2)] (1) and [Fe-II(hfac)(2)][Fe-III(acac)(3)][Fe-II(hfac)(2)] (2). In the above heteroleptic complexes, the Lewis acidic, coordinatively unsaturated Fe-II centers chelated by two hfac (hexafluoroacetylacetonate) ligands with electron-withdrawing substituents maintain bridging interactions with oxygen atoms of electron-donating acac (acetylacetonate) groups that chelate the neighboring Fe-III atoms. Switching the ligands on Fe-III and Fe-II atoms in starting reagents resulted in the instant ligand exchange between iron centers and in yet another polynuclear homometallic diketonate [Fe-II(hfac)(2)][Fe-III(acac)(2)(hfac)][Fe-II(hfac)(2)] (3) that adheres to the same bonding pattern as in complexes 1 and 2. The proposed synthetic methodology has been extended to design heterometallic diketonates with different M : M' ratios. Homometallic parent molecules have been used as templates to obtain heterometallic mixed-valent [Fe-III(acac)(3)][Mn-II(hfac)(2)] (4) and [Ni-II(hfac)(2)] – [Fe-III(acac)(3)][Ni-II(hfac)(2)] (5) complexes. The combination of two different diketonate ligands with electron-donating and electron-withdrawing substituents was found to be crucial for maintaining the above mixed-valent heterometallic assemblies. Theoretical investigation of two possible “isomers”, [Fe-III(acac)(3)][Mn-II(hfac)(2)] (4) and [Mn-III(acac)(3)][Fe-II(hfac)(2)] (40) provided an additional support for the metal site assignment giving a preference of 9.78 kcal mol(-1) for the molecule 4. Heterometallic complexes obtained in the course of this study have been found to act as effective single-source precursors for the synthesis of mixed-transition metal oxide materials MxM2-xO3 and MxMi-xO. The title highly volatile precursors can be used for the low-temperature preparation of both amorphous and crystalline heterometallic oxides in the form of thin films or nanosized particles that are known to operate as efficient catalysts in oxygen evolution reaction. | ||||
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Corporate Author | Thesis | ||||
Publisher | Royal Society of Chemistry | Place of Publication | Cambridge | Editor | |
Language | Wos | 000353223100021 | Publication Date | 2015-02-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2041-6520;2041-6539; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 8.668 | Times cited | 13 | Open Access | |
Notes | Approved | Most recent IF: 8.668; 2015 IF: 9.211 | |||
Call Number | c:irua:126031 | Serial | 2092 | ||
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Author | Neyts, E.C.; Ostrikov, K.K.; Sunkara, M.K.; Bogaerts, A. | ||||
Title | Plasma Catalysis: Synergistic Effects at the Nanoscale | Type | A1 Journal article | ||
Year | 2015 | Publication | Chemical reviews | Abbreviated Journal | Chem Rev |
Volume | 115 | Issue | 115 | Pages | 13408-13446 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Thermal-catalytic gas processing is integral to many current industrial processes. Ever-increasing demands on conversion and energy efficiencies are a strong driving force for the development of alternative approaches. Similarly, synthesis of several functional materials (such as nanowires and nanotubes) demands special processing conditions. Plasma catalysis provides such an alternative, where the catalytic process is complemented by the use of plasmas that activate the source gas. This combination is often observed to result in a synergy between plasma and catalyst. This Review introduces the current state-of-the-art in plasma catalysis, including numerous examples where plasma catalysis has demonstrated its benefits or shows future potential, including CO2 conversion, hydrocarbon reforming, synthesis of nanomaterials, ammonia production, and abatement of toxic waste gases. The underlying mechanisms governing these applications, as resulting from the interaction between the plasma and the catalyst, render the process highly complex, and little is known about the factors leading to the often-observed synergy. This Review critically examines the catalytic mechanisms relevant to each specific application. | ||||
Address | Department of Chemistry, Research Group PLASMANT, Universiteit Antwerpen , Universiteitsplein 1, 2610 Wilrijk-Antwerp, Belgium | ||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | English | Wos | 000367563000006 | Publication Date | 2015-11-30 |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0009-2665 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 47.928 | Times cited | 204 | Open Access | |
Notes | ECN and AB gratefully acknowledge financial support from the Fund of Scientific Research Flanders (FWO), Belgium, Grant Number G.0217.14N. KO acknowledges partial support by the Australian Research Council and CSIRO’s OCE Science Leaders Program. MKS acknowledges partial support from US National Science Foundation through grants DMS 1125909 and EPSCoR 1355448 and also PhD students Babajide Ajayi, Apolo Nambo and Maria Carreon for their help. | Approved | Most recent IF: 47.928; 2015 IF: 46.568 | ||
Call Number | c:irua:130001 | Serial | 3993 | ||
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Author | Kerkhofs, S.; Willhammar, T.; Van Den Noortgate, H.; Kirschhock, C.E.A.; Breynaert, E.; Van Tendeloo, G.; Bals, S.; Martens, J.A. | ||||
Title | Self-Assembly of Pluronic F127—Silica Spherical Core–Shell Nanoparticles in Cubic Close-Packed Structures | Type | A1 Journal article | ||
Year | 2015 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 27 | Issue | 27 | Pages | 5161-5169 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | A new ordered mesoporous silica material (COK-19) with cubic symmetry is synthesized by silicate polycondensation in a citric acid/citrate buffered micellar solution of Pluronic F127 triblock copolymer near neutral pH. SAXS, nitrogen adsorption, TEM, and electron tomography reveal the final material has a cubic close packed symmetry (Fm3̅m) with isolated spherical mesopores interconnected through micropores. Heating of the synthesis medium from room temperature to 70 °C results in a mesopore size increase from 7.0 to 11.2 nm. Stepwise addition of the silicate source allows isolation of a sequence of intermediates that upon characterization with small-angle X-ray scattering uncovers the formation process via formation and aggregation of individual silica-covered Pluronic micelles. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000359499100003 | Publication Date | 2015-07-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.466 | Times cited | 39 | Open Access | OpenAccess |
Notes | J.A.M. acknowledges the Flemish government for long-term structural funding (Methusalem, METH/08/04). The Belgian government is acknowledged for financing the interuniversity poles of attraction (IAP-PAI, P7/05 FS2). G.V.T., S.B. and T.W. acknowledge financial support from European Research Council (ERC Starting Grant no. 335078-COLOURATOMS). E.B. acknowledges financial support the Flemish FWO for a postdoctoral fellowship (1265013N). The authors gratefully thank Kristof Houthoofd for performing the NMR experiments.; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); | Approved | Most recent IF: 9.466; 2015 IF: 8.354 | ||
Call Number | c:irua:127758 | Serial | 3977 | ||
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Author | Wang, Y.; Sentosun, K.; Li, A.; Coronado-Puchau, M.; Sánchez-Iglesias, A.; Li, S.; Su, X.; Bals, S.; Liz-Marzán, L.M. | ||||
Title | Engineering Structural Diversity in Gold Nanocrystals by Ligand-Mediated Interface Control | Type | A1 Journal article | ||
Year | 2015 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 27 | Issue | 27 | Pages | 8032-8040 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Surface and interface control is fundamentally important for crystal growth engineering, catalysis, surface enhanced spectroscopies, and self-assembly, among other processes and applications. Understanding the role of ligands in regulating surface properties of plasmonic metal nanocrystals during growth has received considerable attention. However, the underlying mechanisms and the diverse functionalities of ligands are yet to be fully addressed. In this contribution, we report a systematic study of ligand-mediated interface control in seeded growth of gold nanocrystals, leading to diverse and exotic nanostructures with an improved surface enhanced Raman scattering (SERS) activity. Three dimensional transmission electron microscopy (3D TEM) revealed an intriguing gold shell growth process mediated by the bifunctional ligand 1,4-benzenedithiol (BDT), which leads to a unique crystal growth mechanism as compared to other ligands, and subsequently to the concept of interfacial energy control mechanism. Volmer-Weber growth mode was proposed to be responsible for BDT-mediated seeded growth, favoring the strongest interfacial energy and generating an asymmetric island growth pathway with internal crevices/gaps. This additionally favors incorporation of BDT at the plasmonic nanogaps, thereby generating strong SERS activity with a maximum efficiency for a core-semishell configuration obtained along seeded growth. Numerical modeling was used to explain this observation. Interestingly, the same strategy can be used to engineer the structural diversity of this system, by using gold nanoparticle seeds with various sizes and shapes, and varying the [Au3+]/[Au0] ratio. This rendered a series of diverse and exotic plasmonic nanohybrids such as semishell-coated gold nanorods, with embedded Raman-active tags and Janus surface with distinct surface functionalities. These would greatly enrich the plasmonic nanostructure toolbox for various studies and applications such as anisotropic nanocrystal engineering, SERS, and high-resolution Raman bioimaging or nanoantenna devices. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000366223200023 | Publication Date | 2015-10-09 | |
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 | 18 | Open Access | OpenAccess |
Notes | The authors thank Bart Goris for his help with electron tomography. This work was funded by the European Commission (Grant #310445-2, SAVVY). The authors acknowledge financial support from European Research Council (ERC Advanced Grant # 267867- PLASMAQUO, ERC Starting Grant #335078-COLOURATOMS). The authors also appreciate financial support from the European Union under the Seventh Framework Program (Integrated Infrastructure Initiative N. 262348 European Soft Matter Infrastructure, ESMI). Wang Y. and Su X. would like to acknowledge the Agency for Science, Technology and Research (A*STAR), Singapore, for the financial support under the Grant JCO 14302FG096. M. C.-P. acknowledges an FPU scholarship from the Spanish Ministry of Education, Culture and Sports.; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); | Approved | Most recent IF: 9.466; 2015 IF: 8.354 | ||
Call Number | c:irua:129598 c:irua:129598 | Serial | 3972 | ||
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Author | Batuk, M.; Batuk, D.; Tsirlin, A.A.; Filimonov, D.S.; Sheptyakov, D.V.; Frontzek, M.; Hadermann, J.; Abakumov, A.M. | ||||
Title | Layered oxychlorides [PbBiO2]An+1BnO3n-1Cl2(A = Pb/Bi, B = Fe/Ti) : intergrowth of the hematophanite and sillen phases | Type | A1 Journal article | ||
Year | 2015 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 27 | Issue | 27 | Pages | 2946-2956 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | New layered structures corresponding to the general formula [PbBiO2]A(n+1)B(n)O(3n-1)Cl(2) Were prepared. Pb5BiFe3O10Cl2 (n = 3) and Pb5Bi2Fe4O13Cl2 (n = 4) are built as a stacking of truncated A(n+1)B(n)O(3n-1) perovskite blocks and alpha-PbO-type [A(2)O(2)](2+) (A = Pb, Bi) blocks combined with chlorine sheets. The alternation of these structural blocks can be represented as an intergrowth between the hematophanite and Sullen-type structural blocks. The crystal and-Magnetic structures of Pb5BiFe3O10Cl2 and Pb5Bi2Fe4O13Cl2 were investigated in the temperature range of 1.5-700 K using X-ray and neutron powder diffraction, transmission electron microscopy and Fe-57 Mossbauer spectroscopy. Both compounds crystallize in the I4/mmm space group with the unit cell parameters a approximate to a(p) approximate to 3.92 angstrom (a unit-cell parameter of the perovskite-structure), c approximate to 43.0 angstrom for the n = 3 member and c approximate to 53.5 angstrom for the n = 4 member. Despite the large separation between the slabs containing the Fe3+ ions (nearly 14 angstrom), long-range antiferromagnetic order sets in below similar to 600 K with the G-type arrangement of the Fe magnetic moments aligned along the c-axis. The possibility of mixing d(0) and d(n) cations at the B sublattice of these structures was also demonstrated by preparing the Ti-substituted n = 4 member Pb6BiFe3TiO13Cl2. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000353865800028 | Publication Date | 2015-03-26 | |
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 | 11 | Open Access | |
Notes | Approved | Most recent IF: 9.466; 2015 IF: 8.354 | |||
Call Number | c:irua:126060 | Serial | 1807 | ||
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Author | van der Stam, W.; Berends, A.C.; Rabouw, F.T.; Willhammar, T.; Ke, X.; Meeldijk, J.D.; Bals, S.; de Donega, C.M. | ||||
Title | Luminescent CuInS2 quantum dots by partial cation exchange in Cu2-xS nanocrystals | Type | A1 Journal article | ||
Year | 2015 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 27 | Issue | 27 | Pages | 621-628 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Here, we show successful partial cation exchange reactions in Cu2-xS nanocrystals (NCs) yielding luminescent CuInS2 (CIS) NCs. Our approach of mild reaction conditions ensures slow Cu extraction rates, which results in a balance with the slow In incorporation rate. With this method, we obtain CIS NCs with photoluminescence (PL) far in the near-infrared (NIR), which cannot be directly synthesized by currently available synthesis protocols. We discuss the factors that favor partial, self-limited cation exchange from Cu2-xS to CIS NCs, rather than complete cation exchange to In2S3. The product CIS NCs have the wurtzite crystal structure, which is understood in terms of conservation of the hexagonal close packing of the anionic sublattice of the parent NCs into the product NCs. These results are an important step toward the design of CIS NCs with sizes and shapes that are not attainable by direct synthesis protocols and may thus impact a number of potential applications. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000348618400028 | Publication Date | 2014-12-29 | |
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 | 119 | Open Access | OpenAccess |
Notes | 335078 Colouratom; 262348 Esmi; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); | Approved | Most recent IF: 9.466; 2015 IF: 8.354 | ||
Call Number | c:irua:125291 | Serial | 1858 | ||
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Author | McCalla, E.; Abakumov, A.; Rousse, G.; Reynaud, M.; Sougrati, M.T.; Budic, B.; Mahmoud, A.; Dominko, R.; Van Tendeloo, G.; Hermann, R.P.; Tarascon, J.M.; | ||||
Title | Novel complex stacking of fully-ordered transition metal layers in Li4FeSbO6 materials | Type | A1 Journal article | ||
Year | 2015 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 27 | Issue | 27 | Pages | 1699-1708 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | As part of a broad project to explore Li4MM'O-6 materials (with M and M' being selected from a wide variety of metals) as positive electrode materials for Li-ion batteries, the structures of Li4FeSbO6 materials with both stoichiometric and slightly deficient lithium contents are studied here. For lithium content varying from 3.8 to 4.0, the color changes from yellow to black and extra superstructure peaks are seen in the XRD patterns. These extra peaks appear as satellites around the four superstructure peaks affected by the stacking of the transition metal atoms. Refinements of both XRD and neutron scattering patterns show a nearly perfect ordering of Li, Fe, and Sb in the transition metal layers of all samples, although these refinements must take the stacking faults into account in order to extract information about the structure of the TM layers. The structure of the most lithium rich sample, where the satellite superstructure peaks are seen, was determined with the help of HRTEM, XRD, and neutron scattering. The satellites arise due to a new stacking sequence where not all transition metal layers are identical but instead two slightly different compositions stack in an AABB sequence giving a unit cell that is four times larger than normal for such monoclinic layered materials. The more lithium deficient samples are found to contain metal site vacancies based on elemental analysis and Mossbauer spectroscopy results. The significant changes in physical properties are attributed to the presence of these vacancies. This study illustrates the great importance of carefully determining the final compositions in these materials, as very small differences in compositions may have large impacts on structures and properties. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000350919000032 | Publication Date | 2015-02-12 | |
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 | 22 | Open Access | |
Notes | Approved | Most recent IF: 9.466; 2015 IF: 8.354 | |||
Call Number | c:irua:125469 | Serial | 2373 | ||
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Author | van der Stam, W.; Akkerman, Q.A.; Ke, X.; van Huis, M.A.; Bals, S.; de Donega, C.M. | ||||
Title | Solution-processable ultrathin size- and shape-controlled colloidal Cu2-xS nanosheets | Type | A1 Journal article | ||
Year | 2015 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 27 | Issue | 27 | Pages | 283-291 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Ultrathin two-dimensional (2D) nanosheets (NSs) possess extraordinary properties that are attractive for both fundamental studies and technological devices. Solution-based bottom-up methods are emerging as promising routes to produce free-standing NSs, but the synthesis of colloidal NSs with well-defined size and shape has remained a major challenge. In this work, we report a novel method that yields 2 nm thick colloidal Cu2-xS NSs with well-defined shape (triangular or hexagonal) and size (100 nm to 3 mu m). The key feature of our approach is the use of a synergistic interaction between halides (Br or Cl) and copper-thiolate metal-organic frameworks to create a template that imposes 2D constraints on the Cu-catalyzed C-S thermolysis, resulting in nucleation and growth of colloidal 2D Cu2-xS NSs. Moreover, the NS composition can be postsynthetically tailored by exploiting topotactic cation exchange reactions. This is illustrated by converting the Cu2-xS NSs into ZnS and CdS NSs while preserving their size and shape. The method presented here thus holds great promise as a route to solution-processable compositionally diverse ultrathin colloidal NSs with well-defined shape and size. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000348085300036 | Publication Date | 2014-12-04 | |
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 | 68 | Open Access | OpenAccess |
Notes | 335078 Colouratom; 246791 Countatoms; 312483 Esteem2; esteem2ta; ECASSara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); | Approved | Most recent IF: 9.466; 2015 IF: 8.354 | ||
Call Number | c:irua:123865 c:irua:123865 | Serial | 3052 | ||
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Author | Wolf, D.; Rodriguez, L.A.; Béché, A.; Javon, E.; Serrano, L.; Magen, C.; Gatel, C.; Lubk, A.; Lichte, H.; Bals, S.; Van Tendeloo, G.; Fernández-Pacheco, A.; De Teresa, J.M.; Snoeck, E. | ||||
Title | 3D Magnetic Induction Maps of Nanoscale Materials Revealed by Electron Holographic Tomography | Type | A1 Journal article | ||
Year | 2015 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 27 | Issue | 27 | Pages | 6771-6778 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The investigation of three-dimensional (3D) ferromagnetic nanoscale materials constitutes one of the key research areas of the current magnetism roadmap, and carries great potential to impact areas such as data storage, sensing and biomagnetism. The properties of such nanostructures are closely connected with their 3D magnetic nanostructure, making their determination highly valuable. Up to now, quantitative 3D maps providing both the internal magnetic and electric configuration of the same specimen with high spatial resolution are missing. Here, we demonstrate the quantitative 3D reconstruction of the dominant axial component of the magnetic induction and electrostatic potential within a cobalt nanowire (NW) of 100 nm in diameter with spatial resolution below 10 nanometers by applying electron holographic tomography. The tomogram was obtained using a dedicated TEM sample holder for acquisition, in combination with advanced alignment and tomographic reconstruction routines. The powerful approach presented here is widely applicable to a broad range of 3D magnetic nanostructures and may trigger the progress of novel spintronic non-planar nanodevices. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000362920700037 | Publication Date | 2015-09-08 | |
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 | 50 | Open Access | OpenAccess |
Notes | This work was supported by the European Union under the Seventh Framework Program under a contract for an Inte-grated Infrastructure Initiative Reference 312483-ESTEEM2. S.B. and A.B. gratefully acknowledge funding by ERC Starting grants number 335078 COLOURATOMS and number 278510 VORTEX. AF-P acknowledges an EPSRC Early Career fellowship and support from the Winton Foundation. E.S., C.G. and L.A. R. acknowledge the French ANR program for support though the project EMMA.; esteem2jra4; ECASJO;; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); | Approved | Most recent IF: 9.466; 2015 IF: 8.354 | ||
Call Number | c:irua:129180 c:irua:129180 c:irua:129180 | Serial | 3950 | ||
Permanent link to this record |