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| Author | Bercx, M.; Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D. | ||||
| Title | First-principles analysis of the spectroscopic limited maximum efficiency of photovoltaic absorber layers for CuAu-like chalcogenides and silicon | Type | A1 Journal article | ||
| Year | 2016 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
| Volume | 18 | Issue | 18 | Pages | 20542-20549 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | Chalcopyrite semiconductors are of considerable interest for application as absorber layers in thin-film photovoltaic cells. When growing films of these compounds, however, they are often found to contain CuAu-like domains, a metastable phase of chalcopyrite. It has been reported that for CuInS2, the presence of the CuAu-like phase improves the short circuit current of the chalcopyrite-based photovoltaic cell. We investigate the thermodynamic stability of both phases for a selected list of I-III-VI2 materials using a first-principles density functional theory approach. For the CuIn-VI2 compounds, the difference in formation energy between the chalcopyrite and CuAu-like phase is found to be close to 2 meV per atom, indicating a high likelihood of the presence of CuAu-like domains. Next, we calculate the spectroscopic limited maximum efficiency (SLME) of the CuAu-like phase and compare the results with those of the corresponding chalcopyrite phase. We identify several candidates with a high efficiency, such as CuAu-like CuInS2, for which we obtain an SLME of 29% at a thickness of 500 nm. We observe that the SLME can have values above the Shockley-Queisser (SQ) limit, and show that this can occur because the SQ limit assumes the absorptivity to be a step function, thus overestimating the radiative recombination in the detailed balance approach. This means that it is possible to find higher theoretical efficiencies within this framework simply by calculating the J-V characteristic with an absorption spectrum. Finally, we expand our SLME analysis to indirect band gap absorbers by studying silicon, and find that the SLME quickly overestimates the reverse saturation current of indirect band gap materials, drastically lowering their calculated efficiency. | ||||
| Address | EMAT & CMT groups, Department of Physics, University of Antwerp, Campus Groenenborger, Groenenborgerlaan 171, 2020 Antwerp, Belgium. marnik.bercx@uantwerpen.be | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | English | Wos | 000381428600058 | Publication Date | 2016-07-08 |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
ISSN  |
1463-9076 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.123 | Times cited | 34 | Open Access | |
| Notes | We acknowledge financial support of FWO-Vlaanderen through projects G.0150.13N and G.0216.14N and ERA-NET RUS Plus/FWO, Grant G0D6515N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO FWOVlaanderen. | Approved | Most recent IF: 4.123 | ||
| Call Number | c:irua:135091 | Serial | 4112 | ||
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| Author | Calizzi, M.; Venturi, F.; Ponthieu, M.; Cuevas, F.; Morandi, V.; Perkisas, T.; Bals, S.; Pasquini, L. | ||||
| Title | Gas-phase synthesis of Mg-Ti nanoparticles for solid-state hydrogen storage | Type | A1 Journal article | ||
| Year | 2016 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
| Volume | 18 | Issue | 18 | Pages | 141-148 |
| Keywords | A1 Journal article; Engineering Management (ENM); Electron microscopy for materials research (EMAT) | ||||
| Abstract | Mg-Ti nanostructured samples with different Ti contents were prepared via compaction of nanoparticles grown by inert gas condensation with independent Mg and Ti vapour sources. The growth set-up offered the option to perform in situ hydrogen absorption before compaction. Structural and morphological characterisation was carried out by X-ray diffraction, energy dispersive spectroscopy and electron microscopy. The formation of an extended metastable solid solution of Ti in hcp Mg was detected up to 15 at% Ti in the as-grown nanoparticles, while after in situ hydrogen absorption, phase separation between MgH2 and TiH2 was observed. At a Ti content of 22 at%, a metastable Mg-Ti-H fcc phase was observed after in situ hydrogen absorption. The co-evaporation of Mg and Ti inhibited nanoparticle coalescence and crystallite growth in comparison with the evaporation of Mg only. In situ hydrogen absorption was beneficial to subsequent hydrogen behaviour, studied by high pressure differential scanning calorimetry and isothermal kinetics. A transformed fraction of 90% was reached within 100 s at 300 degrees C during both hydrogen absorption and desorption. The enthalpy of hydride formation was not observed to differ from bulk MgH2. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Cambridge | Editor | ||
| Language | Wos | 000368755500014 | Publication Date | 2015-11-05 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1463-9076 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.123 | Times cited | 31 | Open Access | Not_Open_Access |
| Notes | ; Part of this work was supported by the COST Action MP1103 “Nanostructured materials for solid-state hydrogen storage”. ; | Approved | Most recent IF: 4.123 | ||
| Call Number | UA @ lucian @ c:irua:131589 | Serial | 4184 | ||
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| Author | Matsubara, M.; Saniz, R.; Partoens, B.; Lamoen, D. | ||||
| Title | Doping anatase TiO2with group V-b and VI-b transition metal atoms: a hybrid functional first-principles study | Type | A1 Journal article | ||
| Year | 2017 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
| Volume | 19 | Issue | 19 | Pages | 1945-1952 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | We investigate the role of transition metal atoms of group V-b (V, Nb, Ta) and VI-b (Cr, Mo, W) as n- or p-type dopants in anatase TiO$2$ using thermodynamic principles and density functional theory with the Heyd-Scuseria-Ernzerhof HSE06 hybrid functional. The HSE06 functional provides a realistic value for the band gap, which ensures a correct classification of dopants as shallow or deep donors or acceptors. Defect formation energies and thermodynamic transition levels are calculated taking into account the constraints imposed by the stability of TiO$2$ and the solubility limit of the impurities. Nb, Ta, W and Mo are identified as shallow donors. Although W provides two electrons, Nb and Ta show a considerable lower formation energy, in particular under O-poor conditions. Mo donates in principle one electron, but under specific conditions can turn into a double donor. V impurities are deep donors and Cr shows up as an amphoteric defect, thereby acting as an electron trapping center in n-type TiO$_2$ especially under O-rich conditions. A comparison with the available experimental data yields excellent agreement. |
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000394426400027 | Publication Date | 2016-12-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1463-9076 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.123 | Times cited | 19 | Open Access | OpenAccess |
| Notes | We gratefully acknowledge financial support from the IWTVlaanderenthrough projects G.0191.08 and G.0150.13, and the BOF-NOI of the University of Antwerp. This work was carried out using the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC, which is funded by the Hercules foundation. M. M. acknowledges financial support from the GOA project ‘‘XANES meets ELNES’’ of the University of Antwerp. | Approved | Most recent IF: 4.123 | ||
| Call Number | EMAT @ emat @ c:irua:140835 | Serial | 4421 | ||
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| Author | Saniz, R.; Bekaert, J.; Partoens, B.; Lamoen, D. | ||||
| Title | Structural and electronic properties of defects at grain boundaries in CuInSe2 | Type | A1 Journal article | ||
| Year | 2017 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
| Volume | 19 | Issue | 19 | Pages | 14770-14780 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | We report on a first-principles study of the structural and electronic properties of a Sigma3 (112) grain boundary model in CuInSe2. The study focuses on a coherent, stoichiometry preserving, cation–Se terminated grain boundary, addressing the properties of the grain boundary as such, as well as the effect of well known defects in CuInSe2. We show that in spite of its apparent simplicity, such a grain boundary exhibits a very rich phenomenology, providing an explanation for several of the experimentally observed properties of grain boundaries in CuInSe2 thin films. In particular, we show that the combined effect of Cu vacancies and cation antisites can result in the observed Cu depletion with no In enrichment at the grain boundaries. Furthermore, Cu vacancies are unlikely to produce a hole barrier at the grain boundaries, but Na may indeed have such an effect. We find that Na-on-Cu defects will tend to form abundantly at the grain boundaries, and can provide a mechanism for the carrier depletion and/or type inversion experimentally reported. |
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000403327200059 | Publication Date | 2017-05-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1463-9076 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.123 | Times cited | 12 | Open Access | OpenAccess |
| Notes | We thank B. Schoeters for his assistance running the GBstudio software. We acknowledge the financial support of FWO-Vlaanderen through project G.0150.13. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by FWO-Vlaanderen and the Flemish Government-department EWI. | Approved | Most recent IF: 4.123 | ||
| Call Number | EMAT @ emat @ c:irua:143869 | Serial | 4577 | ||
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| Author | Momot, A.; Amini, M.N.; Reekmans, G.; Lamoen, D.; Partoens, B.; Slocombe, D.R.; Elen, K.; Adriaensens, P.; Hardy, A.; Van Bael, M.K. | ||||
| Title | A novel explanation for the increased conductivity in annealed Al-doped ZnO: an insight into migration of aluminum and displacement of zinc | Type | A1 Journal article | ||
| Year | 2017 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
| Volume | 19 | Issue | 40 | Pages | 27866-27877 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | A combined experimental and first-principles study is performed to study the origin of conductivity in ZnO:Al nanoparticles synthesized under controlled conditions via a reflux route using benzylamine as a solvent. The experimental characterization of the samples by Raman, nuclear magnetic resonance (NMR) and conductivity measurements indicates that upon annealing in nitrogen, the Al atoms at interstitial positions migrate to the substitutional positions, creating at the same time Zn interstitials. We provide evidence for the fact that the formed complex of AlZn and Zni corresponds to the origin of the Knight shifted peak (KS) we observe in 27Al NMR. As far as we know, the role of this complex has not been discussed in the literature to date. However, our first-principles calculations show that such a complex is indeed energetically favoured over the isolated Al interstitial positions. In our calculations we also address the charge state of the Al interstitials. Further, Zn interstitials can migrate from Al_Zn and possibly also form Zn clusters, leading to the observed increased conductivity. |
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000413290500073 | Publication Date | 2017-10-09 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1463-9076 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.123 | Times cited | 26 | Open Access | OpenAccess |
| Notes | We want to thank the Interuniversity Attraction Poles Programme (P7/05) initiated by the Belgian Science Policy Office (BELSPO) for the financial support. We also acknowledge the Research Foundation Flanders (FWO-Vlaanderen) for support via the MULTIMAR WOG project and under project No. G018914. The computational parts were 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). | Approved | Most recent IF: 4.123 | ||
| Call Number | EMAT @ emat @c:irua:146878 | Serial | 4760 | ||
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| Author | Serrano-Sevillano, J.; Reynaud, M.; Saracibar, A.; Altantzis, T.; Bals, S.; van Tendeloo, G.; Casas-Cabanas, M. | ||||
| Title | Enhanced electrochemical performance of Li-rich cathode materials through microstructural control | Type | A1 Journal article | ||
| Year | 2018 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
| Volume | 20 | Issue | 20 | Pages | 23112-23122 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The microstructural complexity of Li-rich cathode materials has so far hampered understanding the critical link between size, morphology and structural defects with both capacity and voltage fadings that this family of materials exhibits. Li2MnO3 is used here as a model material to extract reliable structure–property relationships that can be further exploited for the development of high-performing and long-lasting Li-rich oxides. A series of samples with microstructural variability have been prepared and thoroughly characterized using the FAULTS software, which allows quantification of planar defects and extraction of average crystallite sizes. Together with transmission electron microscopy (TEM) and density functional theory (DFT) results, the successful application of FAULTS analysis to Li2MnO3 has allowed rationalizing the synthesis conditions and identifying the individual impact of concurrent microstructural features on both voltage and capacity fadings, a necessary step for the development of high-capacity Li-ion cathode materials with enhanced cycle life. |
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000445220500071 | Publication Date | 2018-08-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1463-9076 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.123 | Times cited | 36 | Open Access | OpenAccess |
| Notes | This work was supported by the Spanish Ministerio de la Economı´a y de la Competitividad through the project IONSTORE (MINECO ref. ENE2016-81020-R). The research leading to these results has received funding from the European Union Seventh Framework Programme under Grant Agreement 312483 – ESTEEM2 (Integrated Infrastructure Initiative-I3). JSS and AS are grateful for computing time provided by the Spanish i2Basque Centers. MR acknowledges the Spanish State for its financial support through her post-doctoral grant Juan de la Cierva – Formacio´n (MINECO ref. FJCI-2014-19990) and her international mobility grant Jose´ Castillejos (MECD ref. CAS15/00354). S. B. acknowledges funding from the European Research Council (ERC starting grant #335078 Colouratom) and T. A. a postdoctoral grant from the Research Foundation Flanders (FWO). (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); ecas_sara | Approved | Most recent IF: 4.123 | ||
| Call Number | EMAT @ emat @c:irua:154782UA @ admin @ c:irua:154782 | Serial | 5062 | ||
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| Author | Ghica, C.; Enculescu, I.; Nistor, L.C.; Matei, E.; Van Tendeloo, G. | ||||
| Title | Electrochemical growth and characterization of nanostructured ZnO thin films | Type | A1 Journal article | ||
| Year | 2008 | Publication | Journal of optoelectronics and advanced materials | Abbreviated Journal | J Optoelectron Adv M |
| Volume | 10 | Issue | 12 | Pages | 3237-3240 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | ZnO is a wide band-gap (ca. 3.4 eV) semiconductor, piezoelectric, pyroelectric, biocompatible, transparent in the visible spectrum and UV light emitting material. The fabrication in 2001 of the first nanobelts of semiconductor oxide materials lead to a rapid expansion of researches concerning one dimensional nanostructures (nanotubes, nanowires, nanobelts), given their possible application in optics, optoelectronics, piezoelectricity, catalysis. Researches carried on up to date evidenced the possibility to obtain an extraordinary variety of ZnO nanostructures, in function of the experimental parameters and the used growth methods. In this work we present morphostructural results on nanostructured ZnO layers obtained by electrochemical deposition. The films have been grown on gold covered glass plates and Si wafers, in various experimental conditions such as: nature of the wetting agents, electrical polarization of the substrate (continuous, pulsed). The influence of the growth conditions on the crystalline structure and morphology of the films is revealed by scanning and transmission electron microscopy studies. The films show a variety of growth morphologies, from entangled-wires-like to honeycomb-like layers. These large-specific-surface layers will be tested as nanostructured substrates for photovoltaic cells with improved efficiency. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Bucharest | Editor | ||
| Language | Wos | Publication Date | 0000-00-00 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1454-4164 | ISBN | Additional Links | UA library record; WoS full record; | |
| Impact Factor | 0.449 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 0.449; 2008 IF: 0.577 | |||
| Call Number | UA @ lucian @ c:irua:75746 | Serial | 899 | ||
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| Author | Ghica, C.; Nistor, L.; Van Tendeloo, G. | ||||
| Title | Revealing nanoscale structural TEM/HRTEM: application on ferroelectric ordering by PMN-PT relaxor ferroelectric | Type | A1 Journal article | ||
| Year | 2008 | Publication | Journal of optoelectronics and advanced materials | Abbreviated Journal | J Optoelectron Adv M |
| Volume | 10 | Issue | 9 | Pages | 2328-2333 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Nano-scale ordering may be revealed in transmission electron microscopy (TEM) by at least three techniques that will be presented in this work: selected area electron diffraction, conventional TEM and high-resolution TEM. Digital image processing is used to extract additional information from the high-resolution micrographs. The described methods are illustrated in a microstructural and compositional study of a 90%Pb(Mg1/3Nb2/3)O-3-10%PbTiO2 ceramic sample. High-resolution images reveal the presence of ordered compositional nano-domains, observable in two specific crystallographic orientations. Antiphase boundaries lying in the (111) planes separate them, while (100) and (111) facets separate the ordered domains from the disordered matrix. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Bucharest | Editor | ||
| Language | Wos | Publication Date | 0000-00-00 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1454-4164 | ISBN | Additional Links | UA library record; WoS full record; | |
| Impact Factor | 0.449 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 0.449; 2008 IF: 0.577 | |||
| Call Number | UA @ lucian @ c:irua:76520 | Serial | 2901 | ||
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| Author | Malesevic, A.; Kemps, R.; Zhang, L.; Erni, R.; Van Tendeloo, G.; Vanhulsel, A.; van Haesendonck, C. | ||||
| Title | A versatile plasma tool for the synthesis of carbon nanotubes and few-layer graphene sheets | Type | A1 Journal article | ||
| Year | 2008 | Publication | Journal of optoelectronics and advanced materials | Abbreviated Journal | J Optoelectron Adv M |
| Volume | 10 | Issue | 8 | Pages | 2052-2055 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Bucharest | Editor | ||
| Language | Wos | Publication Date | 0000-00-00 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1454-4164 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 0.449 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 0.449; 2008 IF: 0.577 | |||
| Call Number | UA @ lucian @ c:irua:70636 | Serial | 3839 | ||
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| Author | Armelao, L.; Barreca, D.; Bottaro, G.; Gasparotto, A.; Maccato, C.; Tondello, E.; Lebedev, O.I.; Turner, S.; Van Tendeloo, G.; Štangar, U.L. | ||||
| Title | Rational design of Ag/TiO2 nanosystems by a combined RF-sputtering/sol-gel approach | Type | A1 Journal article | ||
| Year | 2009 | Publication | ChemPhysChem : a European journal of chemical physics and physical chemistry | Abbreviated Journal | Chemphyschem |
| Volume | 10 | Issue | 18 | Pages | 3249-3259 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The present work is devoted to the preparation of Ag/TiO2 nanosystems by an original synthetic strategy, based on the radio-frequency (RF) sputtering of silver particles on titania-based xerogels prepared by the sol-gel (SG) route. This approach takes advantage of the synergy between the microporous xerogel structure and the infiltration power characterizing RF-sputtering, whose combination enables the obtainment of a tailored dispersion of Ag-containing particles into the titania matrix. In addition, the systems chemico-physical features can be tuned further through proper ex situ thermal treatments in air at 400 and 600 °C. The synthesized composites are extensively characterized by the joint use of complementary techniques, that is, X-ray photoelectron and X-ray excited Auger electron spectroscopies (XPS, XE-AES), secondary ion mass spectrometry (SIMS), glancing incidence X-ray diffraction (GIXRD), field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), electron diffraction (ED), high-angle annular dark field scanning TEM (HAADF-STEM), energy-filtered TEM (EF-TEM) and optical absorption spectroscopy. Finally, the photocatalytic performances of selected samples in the decomposition of the azo-dye Plasmocorinth B are preliminarily investigated. The obtained results highlight the possibility of tailoring the system characteristics over a broad range, directly influencing their eventual functional properties. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Weinheim | Editor | ||
| Language | Wos | 000273410600015 | Publication Date | 2009-10-30 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1439-4235;1439-7641; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.075 | Times cited | 56 | Open Access | |
| Notes | Esteem 026019 | Approved | Most recent IF: 3.075; 2009 IF: 3.453 | ||
| Call Number | UA @ lucian @ c:irua:80561 | Serial | 2811 | ||
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| Author | Felten, A.; Suarez-Martinez, I.; Ke, X.; Van Tendeloo, G.; Ghijsen, J.; Pireaux, J.-J.; Drube, W.; Bittencourt, C.; Ewels, C.P. | ||||
| Title | The role of oxygen at the interface between titanium and carbon nanotubes | Type | A1 Journal article | ||
| Year | 2009 | Publication | ChemPhysChem : a European journal of chemical physics and physical chemistry | Abbreviated Journal | Chemphyschem |
| Volume | 10 | Issue | 11 | Pages | 1799-1804 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | We study the interface between carbon nanotubes (CNTs) and surface-deposited titanium using electron microscopy and photoemission spectroscopy, supported by density functional calculations. Charge transfer from the Ti atoms to the nanotube and carbide formation is observed at the interface which indicates strong interaction. Nevertheless, the presence of oxygen between the Ti and the CNTs significantly weakens the Ti-CNT interaction. Ti atoms at the surface will preferentially bond to oxygenated sites. Potential sources of oxygen impurities are examined, namely oxygen from any residual atmosphere and pre-existing oxygen impurities on the nanotube surface, which we enhance through oxygen plasma surface pre-treatment. Variation in literature data concerning Ohmic contacts between Ti and carbon nanotubes is explained via sample pre-treatment and differing vacuum levels, and we suggest improved treatment routes for reliable Schottky barrier-free Ti-nanotube contact formation. | ||||
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| Publisher | Place of Publication | Weinheim | Editor | ||
| Language | Wos | 000268817800015 | Publication Date | 2009-05-26 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1439-4235;1439-7641; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.075 | Times cited | 38 | Open Access | |
| Notes | Pai | Approved | Most recent IF: 3.075; 2009 IF: 3.453 | ||
| Call Number | UA @ lucian @ c:irua:77939 | Serial | 2918 | ||
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| Author | Bittencourt, C.; van Lier, G.; Ke, X.; Suarez-Martinez, I.; Felten, A.; Ghijsen, J.; Van Tendeloo, G.; Ewels, C.O. | ||||
| Title | Spectroscopy and defect identification for fluorinated carbon nanotubes | Type | A1 Journal article | ||
| Year | 2009 | Publication | ChemPhysChem : a European journal of chemical physics and physical chemistry | Abbreviated Journal | Chemphyschem |
| Volume | 10 | Issue | 6 | Pages | 920-925 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Multi-wall carbon nanotubes (MWCNTs) were exposed to a CF4 radio-frequency (rf) plasma. High-resolution photoelectron spectroscopy shows that the treatment effectively grafts fluorine atoms onto the MWCNTs, altering the valence electronic states. Fluorine surface concentration can be tuned by varying the exposure time. Evaporation of gold onto MWCNTs is used to mark active site formation. High-resolution transmission electron microscopy coupled with density functional theory (DFT) modelling is used to characterise the surface defects formed, indicating that the plasma treatment does not etch the tube surface. We suggest that this combination of theory and microscopy of thermally evaporated gold atoms onto the CNT surface may be a powerful approach to characterise both surface defect density as well as defect type. | ||||
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| Publisher | Place of Publication | Weinheim | Editor | ||
| Language | Wos | 000265469200011 | Publication Date | 2009-03-05 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1439-4235;1439-7641; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.075 | Times cited | 14 | Open Access | |
| Notes | Iuap; Fwo | Approved | Most recent IF: 3.075; 2009 IF: 3.453 | ||
| Call Number | UA @ lucian @ c:irua:77315 | Serial | 3073 | ||
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| Author | Bekermann, D.; Gasparotto, A.; Barreca, D.; Devi, A.; Fischer, R.A.; Kete, M.; Štangar, U.L.; Lebedev, O.I.; Maccato, C.; Tondello, E.; Van Tendeloo, G. | ||||
| Title | ZnO nanorod arrays by plasma-enhanced CVD for light-activated functional applications | Type | A1 Journal article | ||
| Year | 2010 | Publication | ChemPhysChem : a European journal of chemical physics and physical chemistry | Abbreviated Journal | Chemphyschem |
| Volume | 11 | Issue | 11 | Pages | 2337-2340 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Switch of the surface properties: Supported ZnO nanorod arrays with tailored roughness and aspect ratios are successfully synthesized by plasma-enhanced chemical vapor deposition. Such nanostructures exhibit significant superhydrophilic and photocatalytic properties tunable as a function of their morphological organization (see picture). This renders them promising building blocks for the fabrication of stimuli-responsive materials. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Weinheim | Editor | ||
| Language | Wos | 000281061500008 | Publication Date | 2010-06-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1439-4235;1439-7641; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.075 | Times cited | 38 | Open Access | |
| Notes | Esteem 026019 | Approved | Most recent IF: 3.075; 2010 IF: 3.340 | ||
| Call Number | UA @ lucian @ c:irua:84594 | Serial | 3935 | ||
| Permanent link to this record | |||||
| Author | Ramesha, B.M.; Pawlak, B.; Arenas Esteban, D.; Reekmans, G.; Bals, S.; Marchal, W.; Carleer, R.; Adriaensens, P.; Meynen, V. | ||||
| Title | Partial hydrolysis of diphosphonate ester during the formation of hybrid Tio₂ nanoparticles : role of acid concentration | Type | A1 Journal article | ||
| Year | 2023 | Publication | ChemPhysChem : a European journal of chemical physics and physical chemistry | Abbreviated Journal | |
| Volume | Issue | Pages | e202300437-13 | ||
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) | ||||
| Abstract | In the present work, a method was utilized to control the in‐situ partial hydrolysis of a diphosphonate ester in presence of a titania precursor and in function of acid content and its impact on the hybrid nanoparticles was assessed. The hydrolysis degree of organodiphosphonate ester linkers during the formation of hybrid organic‐inorganic metal oxide nanoparticles, are relatively underexplored . Quantitative solution NMR spectroscopy revealed that during the synthesis of TiO2 nanoparticles, an increase in acid concentration introduces a higher degree of partial hydrolysis of the TEPD linker into diverse acid/ester derivatives of TEPD. Increasing the HCl/Ti ratio from 1 to 3, resulted in an increase in degree of partial hydrolysis of the TEPD linker in solution from 4% to 18.8% under the here applied conditions. As a result of the difference in partial hydrolysis, the linker‐TiO2 bonding was altered. Upon subsequent drying of the colloidal TiO2 solution, different textures, at nanoscale and macroscopic scale, were obtained dependent on the HCl/Ti ratio and thus the degree of hydrolysis of TEPD. Understanding such linker‐TiO2 nanoparticle surface dynamics is crucial for making hybrid organic‐inorganic materials (i.e. (porous) metal phosphonates) employed in applications such as electronic/photonic devices, separation technology and heterogeneous catalysts. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001071673900001 | Publication Date | 2023-09-05 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1439-4235; 1439-7641 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 2.9 | Times cited | Open Access | OpenAccess | |
| Notes | This work was supported by the Research Foundation-Flanders (FWO Vlaanderen) Project G.0121.17 N. The work was further supported by Hasselt University and the Research Foundation – Flanders (FWO Vlaanderen) via the Hercules project AUHL/15/2 – GOH3816 N. V. M. acknowledges the Research Foundation Flanders (FWO) for project K801621 N. B. M. R. acknowledges, Prof. Dr. Christophe Detavernier and Dr. Davy Deduystche (COCOON, Ghent University) for PXRD and VT-XRD measurements, Prof. Dr. Christophe Van De Velde (iPRACS, University of Antwerp) and Dr. Radu Ciocarlan (LADCA, University of Antwerp) for helpful discussions on PXRD measurements and Dr. Nick Gys (University of Antwerp and VITO) for ICP-OES measurements. | Approved | Most recent IF: 2.9; 2023 IF: 3.075 | ||
| Call Number | UA @ admin @ c:irua:198934 | Serial | 8911 | ||
| Permanent link to this record | |||||
| Author | Proost, J.; Blaffart, F.; Turner, S.; Idrissi, H. | ||||
| Title | On the Origin of Damped Electrochemical Oscillations at Silicon Anodes (Revisited) | Type | A1 Journal article | ||
| Year | 2014 | Publication | ChemPhysChem : a European journal of chemical physics and physical chemistry | Abbreviated Journal | Chemphyschem |
| Volume | 15 | Issue | 14 | Pages | 3116-3124 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Electrochemical oscillations accompanying the formation of anodic silica have been shown in the past to be correlated with rather abrupt changes in the mechanical stress state of the silica film, commonly associated with some kind of fracture or porosification of the oxide. To advance the understanding on the origin of such oscillations in fluoride-free electrolytes, we have revisited a seminal experiment reported by Lehmann almost two decades ago. We thereby demonstrate that the oscillations are not stress-induced, and do not originate from a morphological transformation of the oxide in the course of anodisation. Alternatively, the mechanical features accompanying the oscillations can be explained by a partial relaxation of the field-induced electrostrictive stress. Furthermore, our observations suggest that the oscillation mechanism more likely results from a periodic depolarisation of the anodic silica. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Weinheim | Editor | ||
| Language | Wos | 000342770500029 | Publication Date | 2014-08-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1439-4235; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.075 | Times cited | 5 | Open Access | |
| Notes | Approved | Most recent IF: 3.075; 2014 IF: 3.419 | |||
| Call Number | UA @ lucian @ c:irua:121086 | Serial | 2444 | ||
| Permanent link to this record | |||||
| Author | Chen, Z.; Tan, Z.; Ji, G.; Schryvers, D.; Ouyang, Q.; Li, Z. | ||||
| Title | Effect of interface evolution on thermal conductivity of vacuum hot pressed SiC/Al composites | Type | A1 Journal article | ||
| Year | 2015 | Publication | Advanced engineering materials | Abbreviated Journal | Adv Eng Mater |
| Volume | 17 | Issue | 17 | Pages | 1076-1084 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The SiC/Al composites have been fabricated by a vacuum hot pressing (VHP) process in order to study the effect of interface evolution on the global thermal conductivity (TC). By optimizing the VHP parameters of sintering temperature and time, the three different kinds of SiC/Al interface configurations, that is, non-bonded, diffusion-bonded, and reaction-bonded interfaces, are formed and identified by measurement of relative density, X-ray diffraction, scanning and (high-resolution) transmission electron microscopy. The VHPed composite sintered at 655 °C for 60 min is fully dense and presents a tightly-adhered and clean SiC/Al interface at the nanoscale, the ideal diffusion-bonded interface being the most favorable for minimizing interfacial thermal resistance, which in turn results in the highest TC of around 270 W/mK. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Weinheim | Editor | ||
| Language | Wos | 000357680700019 | Publication Date | 2015-01-02 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1438-1656; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.319 | Times cited | 9 | Open Access | |
| Notes | Approved | Most recent IF: 2.319; 2015 IF: 1.758 | |||
| Call Number | c:irua:123000 | Serial | 818 | ||
| Permanent link to this record | |||||
| Author | Colomer, J.-F.; Henrard, L.; Lambin, P.; Van Tendeloo, G. | ||||
| Title | Electron diffraction and microscopy of single-wall carbon nanotube bundles produced by different methods | Type | A1 Journal article | ||
| Year | 2002 | Publication | European physical journal : B : condensed matter and complex systems | Abbreviated Journal | Eur Phys J B |
| Volume | 27 | Issue | 1 | Pages | 111-118 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Berlin | Editor | ||
| Language | Wos | 000176258200013 | Publication Date | 2004-03-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1434-6028;1434-6036; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.461 | Times cited | 43 | Open Access | |
| Notes | Approved | Most recent IF: 1.461; 2002 IF: 1.741 | |||
| Call Number | UA @ lucian @ c:irua:54780 | Serial | 915 | ||
| Permanent link to this record | |||||
| Author | Dikin, D.A.; Chandrasekhar, V.; Misko, V.R.; Fomin, V.M.; Devreese, J.T. | ||||
| Title | Nucleation of superconductivity in mesoscopic star-shaped superconductors | Type | A1 Journal article | ||
| Year | 2003 | Publication | European Physical Journal B | Abbreviated Journal | Eur Phys J B |
| Volume | 34 | Issue | Pages | 231-235 | |
| Keywords | A1 Journal article; Electron Microscopy for Materials Science (EMAT); | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Berlin | Editor | ||
| Language | Wos | 000184935400012 | Publication Date | 2004-03-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1434-6028;1434-6036; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.461 | Times cited | 5 | Open Access | |
| Notes | Approved | Most recent IF: 1.461; 2003 IF: 1.457 | |||
| Call Number | UA @ lucian @ c:irua:44286 | Serial | 2390 | ||
| Permanent link to this record | |||||
| Author | Willems, B.L.; Taylor, D.M.J.; Fritzsche, J.; Malfait, M.; Vanacken, J.; Moshchalkov, V.V.; Montoya, E.; Van Tendeloo, G. | ||||
| Title | Temperature and magnetic field dependence of the voltagein GaAs films with superconducting Ga grains | Type | A1 Journal article | ||
| Year | 2008 | Publication | European physical journal : B : condensed matter and complex systems | Abbreviated Journal | Eur Phys J B |
| Volume | 66 | Issue | 1 | Pages | 25-28 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | We have studied granular films consisting of nanoscale Ga droplets formed on GaAs films via a method of vacuum annealing to promote As evaporation. For temperatures and magnetic fields below the bulk Ga critical parameters, the samples are very sensitive towards external microwave radiation when two point voltage measurements are performed. Together with the observation of an oscillating magnetic field dependence of the voltage, a scenario in which the samples consist of Josephson-coupled loops seems to be the most likely one for explaining the obtained results. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Berlin | Editor | ||
| Language | Wos | 000262831300004 | Publication Date | 2008-10-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1434-6028;1434-6036; | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 1.461 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 1.461; 2008 IF: 1.568 | |||
| Call Number | UA @ lucian @ c:irua:75997 | Serial | 3496 | ||
| Permanent link to this record | |||||
| Author | Verberck, B.; Tarakina, N.V. | ||||
| Title | Tubular fullerenes inside carbon nanotubes : optimal molecular orientation versus tube radius | Type | A1 Journal article | ||
| Year | 2011 | Publication | European physical journal : B : condensed matter and complex systems | Abbreviated Journal | Eur Phys J B |
| Volume | 80 | Issue | 3 | Pages | 355-362 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | We present an investigation of the orientations and positions of tubular fullerene molecules (C90, ..., C200) encapsulated in single-walled carbon nanotubes (SWCNT), a series of so-called fullerene nanopeapods. We find that increasing the tube radius leads to the following succession of energetically stable regimes: (1) lying molecules positioned on the tube's long axis; (2) tilted molecules on the tube's long axis; and (3) lying molecules shifted away from the tube's long axis. As opposed to C70 and C80 molecules encapsulated in a SWCNT, standing orientations do not develop. Our results are relevant for the possible application of molecular-orientation-dependent electronic properties of fullerene nanopeapods, and also for the interpretation of future experiments on double-walled carbon nanotube formation by annealing fullerene peapod systems. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Berlin | Editor | ||
| Language | Wos | 000289576200010 | Publication Date | 2011-03-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1434-6028;1434-6036; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.461 | Times cited | 10 | Open Access | |
| Notes | ; This work was financially supported by the Research Foundation – Flanders (FWO-VI). B.V. is a Postdoctoral Fellow of the Research Foundation – Flanders (FWO-VI). ; | Approved | Most recent IF: 1.461; 2011 IF: 1.534 | ||
| Call Number | UA @ lucian @ c:irua:89286 | Serial | 3738 | ||
| Permanent link to this record | |||||
| Author | Hervieu, M.; Martin, C.; Maignan, A.; Van Tendeloo, G.; Raveau, B. | ||||
| Title | Charge ordering-disordering in Th-doped CaMnO3 | Type | A1 Journal article | ||
| Year | 1999 | Publication | European physical journal : B : condensed matter and complex systems | Abbreviated Journal | Eur Phys J B |
| Volume | 10 | Issue | Pages | 397-408 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Berlin | Editor | ||
| Language | Wos | 000082579200001 | Publication Date | 2002-08-25 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1434-6028; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.461 | Times cited | 6 | Open Access | |
| Notes | Approved | Most recent IF: 1.461; 1999 IF: 1.705 | |||
| Call Number | UA @ lucian @ c:irua:29718 | Serial | 337 | ||
| Permanent link to this record | |||||
| Author | Michel, A.; Pierron-Bohnes, V.; Jay, J.P.; Panissod, P.; Lefebvre, S.; Bessière, M.; Fischer, H.E.; Van Tendeloo, G. | ||||
| Title | Stabilisation of fcc cobalt layers by 0.4 nm thick manganese layers in Co/Mn superlattices | Type | A1 Journal article | ||
| Year | 2001 | Publication | European physical journal : B : condensed matter and complex systems | Abbreviated Journal | Eur Phys J B |
| Volume | 19 | Issue | 2 | Pages | 225-239 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Berlin | Editor | ||
| Language | Wos | 000167425800008 | Publication Date | 2003-05-15 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1434-6028; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.461 | Times cited | 8 | Open Access | |
| Notes | Approved | Most recent IF: 1.461; 2001 IF: 1.811 | |||
| Call Number | UA @ lucian @ c:irua:54779 | Serial | 3116 | ||
| Permanent link to this record | |||||
| Author | Martin, É.; Gossuin, Y.; Bals, S.; Kavak, S.; Vuong, Q.L. | ||||
| Title | Monte Carlo simulations of the magnetic behaviour of iron oxide nanoparticle ensembles: taking size dispersion, particle anisotropy, and dipolar interactions into account | Type | A1 Journal article | ||
| Year | 2022 | Publication | European physical journal : B : condensed matter and complex systems | Abbreviated Journal | Eur Phys J B |
| Volume | 95 | Issue | 12 | Pages | 201 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | In this work, the magnetic properties of superparamagnetic iron oxide nanoparticles (SPIONs) submitted to an external magnetic field are studied using a Metropolis algorithm. The influence on the M(B) curves of the size distribution of the nanoparticles, of uniaxial anisotropy, and of dipolar interaction between the cores are examined, as well as the influence of drying the samples under a zero or non-zero magnetic field. It is shown that the anisotropy impacts the shape of the magnetization curves, which then deviate from a pure Langevin behaviour, whereas the dipolar interaction has no influence on the curves at 300 K for small particles (with a radius of 3 nm). The fitting of the magnetization curves of particles with magnetic anisotropy to a Langevin model (including a size distribution of the particles) can then lead to erroneous values of the distribution parameters. The simulation results are qualitatively compared to experimental results obtained for iron oxide nanoparticles (with a 3.21 nm median radius). | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000901937400001 | Publication Date | 2022-12-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1434-6028 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 1.6 | Times cited | Open Access | OpenAccess | |
| Notes | The authors would like to thank Sophie Laurent from the University of Mons for the access to the Dynamic Light Scattering equipment. Computational resources have been provided by the Consortium des Equipements de Calcul Intensif (C ´ ECI), funded by the ´ Fonds de la Recherche Scientifique de Belgique (F.R.S.- FNRS) under Grant No. 2.5020.11 and by the Walloon Region. | Approved | Most recent IF: 1.6 | ||
| Call Number | EMAT @ emat @c:irua:192706 | Serial | 7232 | ||
| Permanent link to this record | |||||
| Author | Isaeva, A.A.; Makarevich, O.N.; Kutznetsov, A.N.; Doert, T.; Abakumov, A.M.; Van Tendeloo, G. | ||||
| Title | Mixed tellurides Ni3-xGaTe2 (0\leq x\leq0.65): crystal and electronic structures, properties, and nickel deficiency effects on vacancy ordering | Type | A1 Journal article | ||
| Year | 2010 | Publication | European journal of inorganic chemistry | Abbreviated Journal | Eur J Inorg Chem |
| Volume | Issue | 9 | Pages | 1395-1404 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The Ni3-xGaTe2 series of compounds (0 x 0.65) was synthesized by a high-temperature ceramic technique at 750 °C. Crystal structures of three compounds in the series were determined by X-ray powder diffraction: Ni2.98(1)GaTe2 (RI = 0.042, Rp = 0.023, Rwp = 0.035), Ni2.79(1)GaTe2 (RI = 0.053, Rp = 0.028, Rwp = 0.039), Ni2.58(1)GaTe2 (RI = 0.081, Rp = 0.037, Rwp = 0.056); the structures were verified by electron diffraction and, for the former compound, high-resolution electron microscopy. The compounds crystallize in a hexagonal lattice with P63/mmc, and the structures can be regarded as a hexagonal close-packed array with a -Ga-Te-Te- stacking sequence. The octahedral and trigonal bipyramidal voids in the hcp structure are selectively filled with Ni atoms to form one entirely occupied and two partially occupied sites, thus allowing variations in the nickel content in the series of compounds Ni3-xGaTe2 (0 x 0.65). A superstructure with asup = 2asub (P63/mmc) has been identified for Ni3-xGaTe2 (0.5 x 0.65) by electron diffraction. Real-space, high-resolution images confirm an ordering of Ni atoms and vacancies inthe ab plane. Quantum-chemical calculations performed forNi3-xGaTe2 (x = 0, 0.25, 0.75, 1) suggest anisotropic metallic conductivity and Pauli paramagnetic behavior that are experimentally confirmed for Ni3GaTe2. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Weinheim | Editor | ||
| Language | Wos | 000276370300009 | Publication Date | 2010-02-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1434-1948;1099-0682; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.444 | Times cited | 8 | Open Access | |
| Notes | Approved | Most recent IF: 2.444; 2010 IF: 2.910 | |||
| Call Number | UA @ lucian @ c:irua:82266 | Serial | 2090 | ||
| Permanent link to this record | |||||
| Author | Avila-Brande, D.; Otero-Díaz, L.C.; Landa-Cánovas, A.R.; Bals, S.; Van Tendeloo, G. | ||||
| Title | A new Bi4Mn1/3W2/3O8Cl Sillén-Aurivillius intergrowth: synthesis and structural characterisation by quantitative transmission electron microscopy | Type | A1 Journal article | ||
| Year | 2006 | Publication | European journal of inorganic chemistry | Abbreviated Journal | Eur J Inorg Chem |
| Volume | Issue | 9 | Pages | 1853-1858 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The synthesis and structural characterisation of a new phase with nominal composition Bi4Mn1/3W2/3O8Cl is presented. Conventional and analytical transmission electron microscopy are used to determine the composition, unit-cell symmetry and space group of the compound, whereas a structural model is deducted by exit-wave reconstruction in the transmission electron microscope. This technique allows the microscope information limit of 1.1 angstrom to be reached and the (light) oxygen atoms in the presence of heavier atoms (Bi, W, Mn) to be imaged. The average structure is refined from Xray powder diffraction data using the Rietveld method yielding an orthorhombic unit cell with lattice parameters a 5.467(4) angstrom, b = 5.466(7) angstrom and c = 14.159(3) angstrom and space group Cm2m, which could be described as a Sillen-Aurivillius intergrowth. ((c) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006) | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Weinheim | Editor | ||
| Language | Wos | 000237617800016 | Publication Date | 2006-03-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1434-1948;1099-0682; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.444 | Times cited | 12 | Open Access | |
| Notes | Approved | Most recent IF: 2.444; 2006 IF: 2.704 | |||
| Call Number | UA @ lucian @ c:irua:59436 | Serial | 2335 | ||
| Permanent link to this record | |||||
| Author | Müller, M.; Turner, S.; Lebedev, O.I.; Wang, Y.; Van Tendeloo, G.; Fischer, R.A. | ||||
| Title | Au@MOF-5 and Au/Mox@MOF-5 (M = Zn, Ti; x = 1, 2) : preparation and microstructural characterisation | Type | A1 Journal article | ||
| Year | 2011 | Publication | European journal of inorganic chemistry | Abbreviated Journal | Eur J Inorg Chem |
| Volume | Issue | 12 | Pages | 1876-1887 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The Zn-carboxylate-based porous coordination polymer MOF-5 [Zn4O(bdc)3] and the metal oxide loaded materials ZnO@MOF-5 and TiO2@MOF-5 were loaded in a second step with the precursor [ClAuCO] to yield intermediate materials denoted as [ClAuCO]@MOF-5, [ClAuCO]/ZnO@MOF-5 and [ClAuCO]/TiO2@MOF-5. These composites were decomposed to Au@MOF-5, Au/ZnO@MOF-5 and Au/TiO2@MOF-5 under hydrogen at 100 °C. The nanoparticle-loaded hybrid materials were characterised by powder X-ray diffraction (PXRD), IR spectroscopy, X-ray photoelectron spectroscopy (XPS) and N2 sorption measurements, which reveal an intact MOF-5 structure that maintains a high specific surface area. For Au@MOF-5, crystalline Au nanoparticles were distributed over the MOF matrix in a homogeneous fashion with a size of ca. 13 nm, evidenced by high resolution transmission electron microscopy. In the case of Au/ZnO@MOF-5, the Au and metal oxide particles of a few nm in size were coexistent in a given volume of the MOF-5 matrix and were not separated in different crystalline MOF particles. For the TiO2 loaded materials the oxide is preferentially located near the outer surface of the MOF particles, leading to an increase of larger exterior Au particles in comparison to very small interior Au particles as observed for the other materials. Au@MOF-5, Au/ZnO@MOF-5 and Au/TiO2@MOF-5 were tested in liquid-phase oxidation of alcohols. Preliminary results show a high activity for the Au loaded materials in this reaction. This observation is attributed to the microstructure of the composites with very small Au particles distributed homogeneously over the MOF matrix. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Weinheim | Editor | ||
| Language | Wos | 000289644300004 | Publication Date | 2011-03-09 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1434-1948; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.444 | Times cited | 75 | Open Access | |
| Notes | Fwo; Esteem 026019 | Approved | Most recent IF: 2.444; 2011 IF: 3.049 | ||
| Call Number | UA @ lucian @ c:irua:88644 | Serial | 205 | ||
| Permanent link to this record | |||||
| Author | Carraro, G.; Maccato, C.; Bontempi, E.; Gasparotto, A.; Lebedev, O.I.; Turner, S.; Depero, L.E.; Van Tendeloo, G.; Barreca, D. | ||||
| Title | Insights on growth and nanoscopic investigation of uncommon iron oxide polymorphs | Type | A1 Journal article | ||
| Year | 2013 | Publication | European journal of inorganic chemistry | Abbreviated Journal | Eur J Inorg Chem |
| Volume | Issue | 31 | Pages | 5454-5461 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Si(100)-supported Fe2O3 nanomaterials were developed by a chemical vapor deposition (CVD) approach. The syntheses, which were performed at temperatures between 400 and 550 °C, selectively yielded the scarcely studied β- and ϵ-Fe2O3 polymorphs under O2 or O2 + H2O reaction environments, respectively. Correspondingly, the observed morphology underwent a progressive evolution from interconnected nanopyramids to vertically aligned nanorods. The present study aims to provide novel insights into Fe2O3 nano-organization by a systematic investigation of the system structure/morphology and of their interrelations with growth conditions. In particular, for the first time, the β- and ϵ-Fe2O3 preparation process has been accompanied by a thorough multitechnique investigation, which, beyond X-ray photoelectron spectroscopy (XPS) and field-emission scanning electron microscopy (FESEM), is carried out by X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDXS), atomic force microscopy (AFM), high-resolution transmission electron microscopy (HRTEM), electron diffraction (ED), scanning TEM electron energy-loss spectroscopy (STEM-EELS), and high-angle annular dark-field STEM (HAADF-STEM). Remarkably, the target materials showed a high structural and compositional homogeneity throughout the whole thickness of the nanodeposit. In particular, spatially resolved EELS chemical maps through the spectrum imaging (SI) technique enabled us to gain important information on the local Fe coordination, which is of crucial importance in determining the system reactivity. The described preparation method is in fact a powerful tool to simultaneously tailor phase composition and morphology of iron(III) oxide nanomaterials, the potential applications of which include photocatalysis, magnetic devices, gas sensors, and anodes for Li-ion batteries. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Weinheim | Editor | ||
| Language | Wos | 000330567000009 | Publication Date | 2013-10-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1434-1948; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.444 | Times cited | 18 | Open Access | |
| Notes | Fwo; Countatoms | Approved | Most recent IF: 2.444; 2013 IF: 2.965 | ||
| Call Number | UA @ lucian @ c:irua:110946 | Serial | 1676 | ||
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| Author | Meilikhov, M.; Yusenko, K.; Esken, D.; Turner, S.; Van Tendeloo, G.; Fischer, R.A. | ||||
| Title | Metals@MOFs – loading MOFs with metal nanoparticles for hybrid functions | Type | A1 Journal article | ||
| Year | 2010 | Publication | European journal of inorganic chemistry | Abbreviated Journal | Eur J Inorg Chem |
| Volume | 2010 | Issue | 24 | Pages | 3701-3714 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Metalorganic frameworks (MOFs) as well as porous coordination polymers (PCPs) are porous, organicinorganic hybrid solids with zeolite-like structures and properties. Due to their extraordinarily high surface area and well defined pore structure MOFs can be used for the stabilization of metal nanoparticles with adjustable size. The embedded metal nanoparticles are still accessible for other reagents due to the high porosity of the MOF systems. This fact makes metal@MOF systems especially interesting for heterogeneous catalysis, gas storage and chemical sensing. This review compiles the cases of metal nanoparticles supported by or embedded into MOFs reported so far and the main aspects and problems associated with these novel nanocomposite systems. The determination of the dispersion and the location of the particles at the MOF support, the control of the loading degree and its effect on the catalytic activity of the system are discussed as well as the partial degradation of the MOF structure upon particle formation. Examples of the introduction of stabilizing groups into the MOF network that direct the loading and can influence the size and shape of the embedded particles are still rare and point into the possible direction of future investigations. Finally, the formation of bimetallic nanoparticles, which are stabilized and supported by a MOF network, will also be reviewed. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Weinheim | Editor | ||
| Language | Wos | 000281684300001 | Publication Date | 2010-07-09 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1434-1948; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.444 | Times cited | 366 | Open Access | |
| Notes | Esteem 026019 | Approved | Most recent IF: 2.444; 2010 IF: 2.910 | ||
| Call Number | UA @ lucian @ c:irua:85495 | Serial | 2014 | ||
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| Author | Vernimmen, J.; Meynen, V.; Herregods, S.J.F.; Mertens, M.; Lebedev, O.I.; Van Tendeloo, G.; Cool, P. | ||||
| Title | New insights in the formation of combined zeolitic/mesoporous materials by using a one-pot templating synthesis | Type | A1 Journal article | ||
| Year | 2011 | Publication | European journal of inorganic chemistry | Abbreviated Journal | Eur J Inorg Chem |
| Volume | Issue | 27 | Pages | 4234-4240 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) | ||||
| Abstract | Zeolitic growth is often absent or occurs in separate phases when synthetic strategies based on the combination of zeolite templates and mesopore templating agents are applied. In this work, zeolitic growth and mesopore formation have been investigated at different temperatures by applying a one-pot templating approach, based on a TS-1 zeolite synthesis whereby part of the microtemplate (tetrapropylammonium hydroxide, TPAOH) is replaced by a mesotemplate (hexadecyltrimethylammonium bromide, CTMABr). Moreover, the synthesis duration and the molar ratio of the microtemplate/mesotemplate have also been studied. The different syntheses clearly show the inherent competitive mechanism between zeolitic growth and mesopore formation. These insights have led to the conclusion that by following a one-pot templating strategy with standard, nonexotic commercial templates, i.e. CTMABr and TPAOH, it is not possible to develop a true hierarchical mesoporous zeolite, meaning a mesoporous siliceous material with highly crystalline zeolitic walls. The resultant materials are instead combined zeolitic/mesoporous composite structures with, however, highly tuneable and controllable porosity characteristics. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Weinheim | Editor | ||
| Language | Wos | 000296143500014 | Publication Date | 2011-08-17 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1434-1948; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.444 | Times cited | 7 | Open Access | |
| Notes | Fwo | Approved | Most recent IF: 2.444; 2011 IF: 3.049 | ||
| Call Number | UA @ lucian @ c:irua:91574 | Serial | 2315 | ||
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| Author | Folens, K.; Leus, K.; Nicomel, N.R.; Meledina, M.; Turner, S.; Van Tendeloo, G.; Du Laing, G.; Van Der Voort, P. | ||||
| Title | Fe3O4@MIL-101-A selective and regenerable adsorbent for the removal of as species from water | Type | A1 Journal article | ||
| Year | 2016 | Publication | European journal of inorganic chemistry | Abbreviated Journal | Eur J Inorg Chem |
| Volume | 2016 | Issue | 2016 | Pages | 4395-4401 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The chromium-based metal organic framework MIL-101(Cr) served as a host for the in situ synthesis of Fe3O4 nano particles. This hybrid nanomaterial was tested as an adsorbent for arsenite and arsenate species in groundwater and surface water and showed excellent affinity towards As-III and As-V species. The adsorption capacities of 121.5 and 80.0 mg g(-1) for arsenite and arsenate species, respectively, are unprecedented. The presence of Ca2+, Mg2+, and phosphate ions and natural organic matter does not affect the removal efficiency or the selectivity. The structural integrity of the hybrid nanomaterial was maintained during the adsorption process and even after desorption through phosphate elution. Additionally, no significant leaching of Cr or Fe species was observed. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Weinheim | Editor | ||
| Language | Wos | 000386166900019 | Publication Date | 2016-04-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1434-1948 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.444 | Times cited | 27 | Open Access | |
| Notes | Approved | Most recent IF: 2.444 | |||
| Call Number | UA @ lucian @ c:irua:139220 | Serial | 4442 | ||
| Permanent link to this record | |||||