| Records |
| Author |
Rather, J.A.; De Wael, K. |
| Title |
C60-functionalized MWCNT based sensor for sensitive detection of endocrine disruptor vinclozolin in solubilized system and wastewater |
Type |
A1 Journal article |
Year  |
2012 |
Publication |
Sensors and actuators : B : chemical |
Abbreviated Journal |
Sensor Actuat B-Chem |
| Volume |
171/172 |
Issue |
|
Pages |
907-915 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
A novel fullerene (C60) functionalized multi-walled carbon nanotubes (MWCNTs) fabricated electrochemical sensor was developed for the sensitive determination of the endocrine disruptor vinclozolin in a solubilized system of cetyltrimethyl ammonium bromide (CTAB). The home-made sensor was characterized by scanning electron microscopy and electrochemical impedance spectroscopy. It was found that the nanocomposite film of C60MWCNTs on GCE exhibits electrocatalytic activity towards vinclozolin reduction and also lowers the reduction overpotential. The influence of the optimization parameters such as pH, effect of CTAB concentration and effect of loading of composite mixture of C60 and MWCNTs on the analytical performance of the sensor was evaluated. Various kinetic parameters such as electron transfer number (n), proton transfer number (m), charge transfer coefficient (α) and diffusion coefficient (D) were also calculated. Under optimized conditions, the squarewave reduction peak current was linear over the concentration range of 2.548.75 μM with the detection and quantification limit of 0.091 μM and 0.3 μM respectively. The fabricated sensor was successfully applied to the detection of vinclozolin in wastewater with good recovery ranging from 97.6 to 103.6%. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000308572700120 |
Publication Date |
2012-06-09 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0925-4005 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
5.401 |
Times cited |
26 |
Open Access |
|
| Notes |
; The authors are highly thankful for the mobility grant (Non-Europe Postdoc Fellowship) for one of the authors (Jahangir Ahmad Rather) supported by the Belgian Federal Science Policy (Belspo) co-funded by the Marie Curie Actions from the European Commission. ; |
Approved |
Most recent IF: 5.401; 2012 IF: 3.535 |
| Call Number |
UA @ admin @ c:irua:100576 |
Serial |
5870 |
| Permanent link to this record |
| |
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| |
| Author |
De Wael, K.; Daems, D.; Van Camp, G.; Nagels, L.J. |
| Title |
The use of potentiometric sensors to study (bio)molecular interactions |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
| Volume |
84 |
Issue |
11 |
Pages |
4921-4927 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
Potentiometric sensors were used to study molecular interactions in liquid environments, with sensorgram methodology. This is demonstrated with a lipophilic rubber-, and with a collagen based hydrogel sensor coating. The investigated molecules were promazine and tartaric acid respectively. The sensors were placed in a hydrodynamic wall jet system for the recording of sensorgrams. mV sensor responses were first converted to a signal, expressing the concentration of adsorbed organic ions. Using a linearization method, a pseudo first order kinetic model of adsorption was shown to fit the experimental results perfectly. Kass, kon and koff values were calculated.. The technique can be used over 4 decades of concentration, and it is very sensitive to low MW compounds as well as to multiply charged large biomolecules. This study is the first to demonstrate the application of potentiometric sensors as an alternative and complement to SPR methods. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000304783100041 |
Publication Date |
2012-04-28 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-2700; 5206-882x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.32 |
Times cited |
10 |
Open Access |
|
| Notes |
; Financial support for this work was provided by the University of Antwerp by granting D.D. a BOF interdisciplinary research project. We thank J. Everaert for his help in interpreting the results. K.D.W. and D.D. contributed equally to this work. ; |
Approved |
Most recent IF: 6.32; 2012 IF: 5.695 |
| Call Number |
UA @ admin @ c:irua:97520 |
Serial |
5898 |
| Permanent link to this record |
| |
|
| |
| Author |
Smits, M.; Ling, Y.; Lenaerts, S.; Van Doorslaer, S. |
| Title |
Photocatalytic removal of soot : unravelling of the reaction mechanism by EPR and in situ FTIR spectroscopy |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
ChemPhysChem : a European journal of chemical physics and physical chemistry |
Abbreviated Journal |
Chemphyschem |
| Volume |
13 |
Issue |
18 |
Pages |
4251-4257 |
| Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Photocatalytic soot oxidation is studied on P25 TiO2 as an important model reaction for self-cleaning processes by means of electron paramagnetic resonance (EPR) and Fourier transform infrared (FTIR) spectroscopy. Contacting of carbon black with P25 leads on the one hand to a reduction of the local dioxygen concentration in the powder. On the other hand, the weakly adsorbed radicals on the carbon particles are likely to act as alternative traps for the photogenerated conduction-band electrons. We find furthermore that the presence of dioxygen and oxygen-related radicals is vital for the photocatalytic soot degradation. The complete oxidation of soot to CO2 is evidenced by in situ FTIR spectroscopy, no intermediate CO is detected during the photocatalytic process. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000313692600026 |
Publication Date |
2012-11-13 |
| 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 |
9 |
Open Access |
|
| Notes |
; This work was supported by the University of Antwerp (PhD grants of M. S. and Y.L.). We would like to thank Birger Hauchecorne for the scientific discussion. ; |
Approved |
Most recent IF: 3.075; 2012 IF: 3.349 |
| Call Number |
UA @ admin @ c:irua:104568 |
Serial |
5980 |
| Permanent link to this record |
| |
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| |
| Author |
Potgieter-Vermaak, S.; Rotondo, G.; Novacovic, V.; Rollins, S.; Van Grieken, R. |
| Title |
Component-specific toxic concerns of the inhalable fraction of urban road dust |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Environmental geochemistry and health |
Abbreviated Journal |
|
| Volume |
34 |
Issue |
6 |
Pages |
689-696 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
Continuous global urbanisation causes an ever-growing ecological footprint of pollution. Road dust (RD), one of these pollutants, poses a health concern due to carcinogenic and toxic components potentially present in the micron-sized fractions. The literature reports on the concentrations of trace, toxic metals and metalloids present in RD (Hooker and Nathanail in Chem Geol 226:340-351, 2006), but the literature on its molecular composition is limited. Recent reports on the bioaccessibility of platinum group metals are also reported (Colombo et al. in Chem Geol 226:340-351, 2008). In vitro and animal toxicological studies confirmed that the chemical composition of inhaled particles plays a major role in its toxic, genotoxic and carcinogenic mechanisms, but the component-specific toxic effects are still not understood. Particle-bound airborne transition metals can also lead to the production of reactive oxygen species in lung tissue; a special concern amongst particularly susceptible cohorts (children and elderly). The characterisation of the molecular composition of the fine fraction is evidently of importance for public health. During a pilot study, partially characterised size-fractioned RD samples (Barrett et al. in Eviron Sci Technol 44:2940-2946, 2010) were analysed for their elemental concentration using X-ray fluorescence spectrometry and inductively coupled plasma mass spectrometry. In addition, separately dispersed particles (200 particles per size fraction) were analysed individually by means of computer-controlled electron probe X-ray micro-analysis (CC-EPXMA) and their molecular structure probed by studying elemental associations. These were correlated with micro-Raman spectroscopy (MRS) results. It was found that the fine fraction (< 38 mu m) had the highest Pb (238 ppm) and Cr (171 ppm) concentrations. The CC-EPXMA data showed > 50 % association of Cr-rich particles with Pb, and the MRS data showed that the Cr was mostly present as lead chromate and therefore in the Cr(VI) oxidation state. Concentrations of both Pb and Cr decreased substantially (279 (< 38 mu m)-13 ppm (< 1 mm); 171 (< 38 mu m)-91 ppm (< 1 mm), respectively) in the larger fractions. Apart from rather alarmingly high concentrations of oxidative stressors (Cu, Fe, Mn), the carcinogenic and toxic potential of the inhalable fraction is evident. Preliminary bioaccessibility data indicated that both Cr and Pb are readily mobilised in artificial lysosomal liquid and up to 19 % of Cr and 47 % of Pb were released. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000310540300005 |
Publication Date |
2012-09-28 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0269-4042 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:102135 |
Serial |
7699 |
| Permanent link to this record |
| |
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| |
| Author |
Hellar-Kihampa, H.; Potgieter-Vermaak, S.; van Meel, K.; Gatto Rotondo, G.; Kishimba, M.; Van Grieken, R. |
| Title |
Elemental composition of bottom-sediments from Pangani river basin, Tanzania : lithogenic and anthropogenic sources |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Toxicological and environmental chemistry |
Abbreviated Journal |
|
| Volume |
94 |
Issue |
3 |
Pages |
525-544 |
| Keywords |
A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
River-bed sediments from the Pangani basin, Tanzania, were characterized for elemental compositions, following contamination risks from rapid expansions of human activities in the area. Samples were collected during two individual seasons and analyzed by high-polarizing beam energy dispersive X-ray fluorescence (EDXRF) for eight major and 14 trace elements. Evaluation of enrichment factors (EFs) was used to investigate the elemental flux and assess the contributions of natural and anthropogenic influences. The abundances of the major elements followed the order Si > Al > Fe > Ca > K > Ti > Mn > P, similar to that of the upper earth's crust, and were generally from the weathering of the bed-rock. The high concentrations of typical anthropogenic trace-elements (Cr < 160 mg kg−1, V < 85 mg kg−1, Ni < 60 mg kg−1, Cu < 87 mg kg−1, La < 90 mg kg−1) coupled with high EFs (>2) in some locations indicated contamination associated with agricultural and industrial activities. Factor analysis extracted five principal components that contributed to 96.0% of the total observed variance. The results indicated that river-bed sediments of the Pangani basin were influenced to a larger extent by lithogenic sources than anthropogenic impacts. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000304276100007 |
Publication Date |
2012-01-16 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0277-2248 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:97080 |
Serial |
7889 |
| Permanent link to this record |
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| |
| Author |
Cataldo,.; Evangelista, H.; Simões, J.C.; Godoi, R.H.M.; Simmonds, I.; Hollanda, M.H.; Wainer, I.; Aquino, F.E.; Van Grieken, R. |
| Title |
Mineral dust variability in central West Antarctica associated with ozone depletion |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Atmospheric chemistry and physics discussions |
Abbreviated Journal |
|
| Volume |
12 |
Issue |
5 |
Pages |
12685-12714 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
Here we show that mineral dust retrieved from an ice core in the central West Antarctic sector, spanning the last five decades, provides evidence that northerly air mass incursions into Antarctica, tracked by dust microparticles, have slightly declined. This result contrasts with dust in ice core records reported in West/coastal Antarctica, which show significant increases to the present day. We attribute that difference, in part, to changes in the regional climate regime triggered by the ozone depletion and its consequences for the polar vortex intensity. The vortex maintains the Antarctic central region relatively isolated from mid-latitude air mass incursions with implications to the intensification of the Westerlies and to a persistent positive phase of the Southern Annular Mode. We also show that variability of the diameter of insoluble microparticles in central West Antarctica can be modeled by linear/quadratic functions of both cyclone depth (energy) and wind intensity around Antarctica. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
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Publication Date |
2012-05-21 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1680-7367 |
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:102568 |
Serial |
8251 |
| Permanent link to this record |
| |
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| |
| Author |
Cabal Rodríguez, A.E.; Leyva Pernia, D.; Schalm, O.; van Espen, P.J.M. |
| Title |
Possibilities of energy-resolved X-ray radiography for the investigation of paintings |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Analytical and bioanalytical chemistry |
Abbreviated Journal |
|
| Volume |
402 |
Issue |
4 |
Pages |
1471-1480 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
X-ray radiographic images of paintings often show little or no contrast. In order to increase the contrast in radiographic images we measured the X-ray spectrum of a low power X-ray tube, after passing through the painting, with a high energy-resolution SDD detector. To obtain images, the detector is collimated with a 400 mu m diameter pinhole and the painting was moved through the beam in the x and y-direction using a dwell time of a few seconds per pixel. The data obtained consists of a data cube of, typically, 200 x 200 pixels and a 512-channel X-ray spectrum for each pixel, spanning the energy range from 0 to 40 keV. Having the absorbance spectrum available for each pixel, we are able, a posteriori, to produce images by edge subtraction for any given element. In this way high contrast, element-specific, images can be obtained. Because of the high energy-resolution a much simpler edge subtraction algorithm can be applied. We also used principal-component imaging to obtain, in a more automated way, images with high contrast. Some of these images can easily be attributed to specific elements. It turns out that preprocessing of the spectral data is crucial for the success of the multivariate image processing. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000299842000008 |
Publication Date |
2011-07-14 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1618-2642; 1618-2650 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:96200 |
Serial |
8394 |
| Permanent link to this record |
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| |
| Author |
Haest, P.J.; Springael, D.; Seuntjens, P.; Smolders, E. |
| Title |
Self-inhibition can limit biologically enhanced TCE dissolution from a TCE DNAPL |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Chemosphere |
Abbreviated Journal |
|
| Volume |
89 |
Issue |
11 |
Pages |
1369-1375 |
| Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Biodegradation of trichloroethene (TCE) near a Dense Non Aqueous Phase Liquid (DNAPL) can enhance the dissolution rate of the DNAPL by increasing the concentration gradient at the DNAPL-water interface. Two-dimensional flow-through sand boxes containing a ICE DNAPL and inoculated with a TCE dechlorinating consortium were set up to measure this bio-enhanced dissolution under anaerobic conditions. The total mass of TCE and daughter products in the effluent of the biotic boxes was 3-6 fold larger than in the effluent of the abiotic box. However, the mass of daughter products only accounted for 19-55% of the total mass of chlorinated compounds in the effluent, suggesting that bio-enhanced dissolution factors were maximally 1.3-2.2. The enhanced dissolution most likely primarily resulted from variable DNAPL distribution rather than biodegradation. Specific dechlorination rates previously determined in a stirred liquid medium were used in a reactive transport model to identify the rate limiting factors. The model adequately simulated the overall TCE degradation when predicted resident microbial numbers approached observed values and indicated an enhancement factor for TCE dissolution of 1.01. The model shows that dechlorination of TCE in the 20 box was limited due to the short residence time and the self-inhibition of the TCE degradation. A parameter sensitivity analysis predicts that the bio-enhanced dissolution factor for this TCE source zone can only exceed a value of 2 if the TCE self-inhibition is drastically reduced (when a TCE tolerant dehalogenating community is present) or if the DNAPL is located in a low-permeable layer with a small Darcy velocity. (C) 2012 Elsevier Ltd. All rights reserved. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000310112600015 |
Publication Date |
2012-06-30 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0045-6535; 1879-1298 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:102142 |
Serial |
8512 |
| Permanent link to this record |
| |
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| |
| Author |
He, Z.B.; Deng, G.; Tian, H.; Xu, Q.; Van Tendeloo, G. |
| Title |
90° Rotation of orbital stripes in bilayer manganite PrCa2Mn2O7 studied by in situ transmission electron microscopy |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| Volume |
200 |
Issue |
|
Pages |
287-293 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
We present an in situ transmission electron microscopy study on the half-doped bilayer manganite PrCa2Mn2O7 to reveal the rotation process of the orbital stripes. Between the reported initial and final ordering phases, we identified an intermediate state with two sets of satellite spots to bridge the 90° rotation of the orbital stripes. Furthermore, we determined that the rotation of the orbital stripes does not always occur. Some restricted conditions for the orbital rotation to occur were found and reasons are discussed. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
London |
Editor |
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| Language |
|
Wos |
000317158000043 |
Publication Date |
2013-02-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.299 |
Times cited |
5 |
Open Access |
|
| Notes |
Countatoms |
Approved |
Most recent IF: 2.299; 2013 IF: 2.200 |
| Call Number |
UA @ lucian @ c:irua:106183 |
Serial |
20 |
| Permanent link to this record |
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| |
| Author |
Houssa, M.; van den Broek, B.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
| Title |
An electric field tunable energy band gap at silicene/(0001) ZnS interfaces |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
| Volume |
15 |
Issue |
11 |
Pages |
3702-3705 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The interaction of silicene, the silicon counterpart of graphene, with (0001) ZnS surfaces is investigated theoretically, using first-principles simulations. The charge transfer occurring at the silicene/(0001) ZnS interface leads to the opening of an indirect energy band gap of about 0.7 eV in silicene. Remarkably, the nature (indirect or direct) and magnitude of the energy band gap of silicene can be controlled by an external electric field: the energy gap is predicted to become direct for electric fields larger than about 0.5 V angstrom(-1), and the direct energy gap decreases approximately linearly with the applied electric field. The predicted electric field tunable energy band gap of the silicene/(0001) ZnS interface is very promising for its potential use in nanoelectronic devices. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Cambridge |
Editor |
|
| Language |
|
Wos |
000315165100002 |
Publication Date |
2013-01-29 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1463-9076;1463-9084; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.123 |
Times cited |
74 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4.123; 2013 IF: 4.198 |
| Call Number |
UA @ lucian @ c:irua:107702 |
Serial |
94 |
| Permanent link to this record |
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| |
| Author |
Phung, Q.M.; Vancoillie, S.; Pourtois, G.; Swerts, J.; Pierloot, K.; Delabie, A. |
| Title |
Atomic layer deposition of ruthenium on a titanium nitride surface : a density functional theory study |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
| Volume |
117 |
Issue |
38 |
Pages |
19442-19453 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Because of its excellent properties in nanotechnology applications, atomic layer deposition of ruthenium (Ru) has been the subject of numerous experimental studies. Recently, two different Ru precursors were compared for plasma-enhanced atomic layer deposition (PEALD) of Ru, and their reactivity was found to be different. Inhibition was observed for bis(ethylcyclopentadienyl)ruthenium (Ru(EtCp)(2)), while nearly linear growth behavior was observed for (methylcyclopentadienyl-pyrrolyl)ruthenium (Ru(MeCp)Py). To understand this difference in reactivity, we investigate the adsorption of RuCp, and RuCpPy (i.e., without substituents) on a TiN surface using calculations based on periodic boundary conditions density functional theory (DFT) combined with experiments based on Rutherford backscattering spectroscopy (RBS). The calculations demonstrate that the RuCpPy precursor chemisorbs on the TiN(100) surface while the RuCp2 precursor only physisorbs. We propose a reaction mechanism for the chemisorption of RuCpPy. The area density of the calculated RuCpPy surface species is compared with the experimental values from RBS. The impact of a H-plasma is also investigated. The DFT calculations and experimental results from RBS provide insight into the adsorption processes of the RuCpPy and RuCp2 precursors on the TiN(100) surface. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
|
Wos |
000330162500022 |
Publication Date |
2013-08-28 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.536 |
Times cited |
6 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4.536; 2013 IF: 4.835 |
| Call Number |
UA @ lucian @ c:irua:114855 |
Serial |
170 |
| Permanent link to this record |
| |
|
| |
| Author |
Bings, N.H.; Bogaerts, A.; Broekaert, J.A.C. |
| Title |
Atomic spectroscopy |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
| Volume |
85 |
Issue |
2 |
Pages |
670-704 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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| Language |
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Wos |
000313668400013 |
Publication Date |
2012-11-07 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0003-2700;1520-6882; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.32 |
Times cited |
29 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 6.32; 2013 IF: 5.825 |
| Call Number |
UA @ lucian @ c:irua:104719 |
Serial |
190 |
| Permanent link to this record |
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| |
| Author |
Gómez-Graña, S.; Goris, B.; Altantzis, T.; Fernández-López, C.; Carbó-Argibay, E.; Guerrero-Martínez, A.; Almora-Barrios, N.; López, N.; Pastoriza-Santos, I.; Pérez-Juste, J.; Bals, S.; Van Tendeloo, G.; Liz-Marzán, L.M.; |
| Title |
Au@Ag nanoparticles : halides stabilize {100} facets |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
The journal of physical chemistry letters |
Abbreviated Journal |
J Phys Chem Lett |
| Volume |
4 |
Issue |
13 |
Pages |
2209-2216 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Seed-mediated growth is the most efficient methodology to control the size and shape of colloidal metal nanoparticles. In this process, the final nanocrystal shape is defined by the crystalline structure of the initial seed as well as by the presence of ligands and other additives that help to stabilize certain crystallographic facets. We analyze here the growth mechanism in aqueous solution of silver shells on presynthesized gold nanoparticles displaying various well-defined crystalline structures and morphologies. A thorough three-dimensional electron microscopy characterization of the morphology and internal structure of the resulting core-shell nanocrystals indicates that {100} facets are preferred for the outer silver shell, regardless of the morphology and crystallinity of the gold cores. These results are in agreement with theoretical analysis based on the relative surface energies of the exposed facets in the presence of halide ions. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
American Chemical Society |
Place of Publication |
Washington, D.C |
Editor |
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| Language |
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Wos |
000321809500018 |
Publication Date |
2013-06-20 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1948-7185; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
9.353 |
Times cited |
131 |
Open Access |
|
| Notes |
267867 Plasmaquo; 246791 COUNTATOMS; 262348 ESMI; FWO |
Approved |
Most recent IF: 9.353; 2013 IF: 6.687 |
| Call Number |
UA @ lucian @ c:irua:109811 |
Serial |
204 |
| Permanent link to this record |
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| |
| Author |
Neek-Amal, M.; Beheshtian, J.; Sadeghi, A.; Michel, K.H.; Peeters, F.M. |
| Title |
Boron nitride mono layer : a strain-tunable nanosensor |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
| Volume |
117 |
Issue |
25 |
Pages |
13261-13267 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
The influence of triaxial in-plane strain on the electronic properties of a hexagonal boron-nitride sheet is investigated using density functional theory. Different from graphene, the triaxial strain localizes the molecular orbitals of the boron-nitride flake in its center depending on the direction of the applied strain. The proposed technique for localizing the molecular orbitals that are close to the Fermi level in the center of boron nitride flakes can be used to actualize engineered nanosensors, for instance, to selectively detect gas molecules. We show that the central part of the strained flake adsorbs polar molecules more strongly as compared with an unstrained sheet. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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| Language |
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Wos |
000321236400041 |
Publication Date |
2013-06-03 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1932-7447;1932-7455; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.536 |
Times cited |
38 |
Open Access |
|
| Notes |
; This work was supported by the EU-Marie Curie IIF postdoc Fellowship/299855 (for M.N.-A.), the ESF EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-VI), and the Methusalem Funding of the Flemish government. AS. would like to thank the Universiteit Antwerpen for its hospitality. ; |
Approved |
Most recent IF: 4.536; 2013 IF: 4.835 |
| Call Number |
UA @ lucian @ c:irua:109829 |
Serial |
249 |
| Permanent link to this record |
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| Author |
Kirsanova, M.A.; Mori, T.; Maruyama, S.; Abakumov, A.M.; Van Tendeloo, G.; Olenev, A.; Shevelkov, A.V. |
| Title |
Cationic clathrate of type-III Ge172-xPxTey (y\approx21,5, x\approx2y) : synthesis, crystal structure and thermoelectric properties |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
| Volume |
52 |
Issue |
14 |
Pages |
8272-8279 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
A first germanium-based cationic clathrate of type-III, Ge129.3P42.7Te21.53, was synthesized and structurally characterized (space group P42/mnm, a = 19.948(3) Å, c = 10.440(2) Å, Z = 1). In its crystal structure, germanium and phosphorus atoms form three types of polyhedral cages centered with Te atoms. The polyhedra share pentagonal and hexagonal faces to form a 3D framework. Despite the complexity of the crystal structure, the Ge129.3P42.7Te21.53 composition corresponds to the Zintl counting scheme with a good accuracy. Ge129.3P42.7Te21.53 demonstrates semiconducting/insulating behavior of electric resistivity, high positive Seebeck coefficient (500 μV K1 at 300 K), and low thermal conductivity (<0.92 W m1 K1) within the measured temperature range. |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Easton, Pa |
Editor |
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| Language |
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Wos |
000322087100052 |
Publication Date |
2013-06-26 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0020-1669;1520-510X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.857 |
Times cited |
3 |
Open Access |
|
| Notes |
Countatoms |
Approved |
Most recent IF: 4.857; 2013 IF: 4.794 |
| Call Number |
UA @ lucian @ c:irua:109214 |
Serial |
301 |
| Permanent link to this record |
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| Author |
Neyts, E.C.; Bogaerts, A. |
| Title |
Combining molecular dynamics with Monte Carlo simulations : implementations and applications |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Theoretical chemistry accounts : theory, computation, and modeling |
Abbreviated Journal |
Theor Chem Acc |
| Volume |
132 |
Issue |
2 |
Pages |
1320-12 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
In this contribution, we present an overview of the various techniques for combining atomistic molecular dynamics with Monte Carlo simulations, mainly in the context of condensed matter systems, as well as a brief summary of the main accelerated dynamics techniques. Special attention is given to the force bias Monte Carlo technique and its combination with molecular dynamics, in view of promising recent developments, including a definable timescale. Various examples of the application of combined molecular dynamics / Monte Carlo simulations are given, in order to demonstrate the enhanced simulation efficiency with respect to either pure molecular dynamics or Monte Carlo. |
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Thesis |
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Place of Publication |
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Editor |
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Wos |
000318294700010 |
Publication Date |
2012-12-19 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1432-881X;1432-2234; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.89 |
Times cited |
27 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.89; 2013 IF: 2.143 |
| Call Number |
UA @ lucian @ c:irua:104725 |
Serial |
404 |
| Permanent link to this record |
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| Author |
Monico, L.; Janssens, K.; Miliani, C.; Brunetti, B.G.; Vagnini, M.; Vanmeert, F.; Falkenberg, G.; Abakumov, A.; Lu, Y.; Tian, H.; Verbeeck, J.; Radepont, M.; Cotte, M.; Hendriks, E.; Geldof, M.; van der Loeff, L.; Salvant, J.; Menu, M.; |
| Title |
Degradation process of lead chromate in paintings by Vincent van Gogh studied by means of spectromicroscopic methods : 3 : synthesis, characterization, and detection of different crystal forms of the chrome yellow pigment |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
| Volume |
85 |
Issue |
2 |
Pages |
860-867 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
The painter, Vincent van Gogh, and some of his contemporaries frequently made use of the pigment chrome yellow that is known to show a tendency toward darkening. This pigment may correspond to various chemical compounds such as PbCrO4 and PbCr1-xSxO4, that may each be present in various crystallographic forms with different tendencies toward degradation. Investigations by X-ray diffraction (XRD), mid-Fourier Transform infrared (FTIR), and Raman instruments (benchtop and portable) and synchrotron radiation-based micro-XRD and X-ray absorption near edge structure spectroscopy performed on oil-paint models, prepared with in-house synthesized PbCrO4 and PbCr1-xSxO4, permitted us to characterize the spectroscopic features of the various forms. On the basis of these results, an extended study has been carried out on historic paint tubes and on embedded paint microsamples taken from yellow-orange/pale yellow areas of 12 Van Gogh paintings, demonstrating that Van Gogh effectively made use of different chrome yellow types. This conclusion was also confirmed by in situ mid-FTIR investigations on Van Goghs Portrait of Gauguin (Van Gogh Museum, Amsterdam). |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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| Language |
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Wos |
000313668400031 |
Publication Date |
2012-10-10 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0003-2700;1520-6882; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.32 |
Times cited |
79 |
Open Access |
|
| Notes |
Goa; Fwo |
Approved |
Most recent IF: 6.32; 2013 IF: 5.825 |
| Call Number |
UA @ lucian @ c:irua:108707UA @ admin @ c:irua:108707 |
Serial |
631 |
| Permanent link to this record |
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| Author |
Batuk, D.; Batuk, M.; Abakumov, A.M.; Tsirlin, A.A.; McCammon, C.M.; Dubrovinsky, L.; Hadermann, J. |
| Title |
Effect of lone-electron-pair cations on the orientation of crystallographic shear planes in anion-deficient perovskites |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
| Volume |
52 |
Issue |
17 |
Pages |
10009-10020 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Factors affecting the structure and orientation of the crystallographic shear (CS) planes in anion-deficient perovskites are investigated using the (Pb1−zSrz)1−xFe1+xO3−y perovskites as a model system. The orientation of the CS planes in the system varies unevenly with z. A comparison of the structures with different CS planes revels that the orientation of the CS planes is governed mainly by the stereochemical activity of the lone-electron-pair cations inside the perovskite blocks. |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Easton, Pa |
Editor |
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| Language |
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Wos |
000326129000037 |
Publication Date |
2013-08-22 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0020-1669;1520-510X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.857 |
Times cited |
11 |
Open Access |
|
| Notes |
Fwo |
Approved |
Most recent IF: 4.857; 2013 IF: 4.794 |
| Call Number |
UA @ lucian @ c:irua:111394 |
Serial |
822 |
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| Author |
Abakumov, A.M.; Erni, R.; Tsirlin, A.A.; Rossell, M.D.; Batuk, D.; Nénert, G.; Van Tendeloo, G. |
| Title |
Frustrated octahedral tilting distortion in the incommensurately modulated Li3xNd2/3-xTiO3 perovskites |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| Volume |
25 |
Issue |
13 |
Pages |
2670-2683 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Perovskite-structured titanates with layered A-site ordering form remarkably complex superstructures. Using transmission electron microscopy, synchrotron X-ray and neutron powder diffraction, and ab initio structure relaxation, we present the structural solution of the incommensurately modulated Li3xNd2/3xTiO3 perovskites (x = 0.05, superspace group Pmmm(α1,1/2,0)000(1/2,β2 0)000, a = 3.831048(5) Å, b = 3.827977(4) Å, c = 7.724356(8) Å, q1 = 0.45131(8)a* + 1/2b*, q2 = 1/2a* + 0.41923(4)b*). In contrast to earlier conjectures on the nanoscale compositional phase separation in these materials, all peculiarities of the superstructure can be understood in terms of displacive modulations related to an intricate octahedral tilting pattern. It involves fragmenting the pattern of the out-of-phase tilted TiO6 octahedra around the a- and b-axes into antiphase domains, superimposed on the pattern of domains with either pronounced or suppressed in-phase tilt component around the c-axis. The octahedral tilting competes with the second order JahnTeller distortion of the TiO6 octahedra. This competition is considered as the primary driving force for the modulated structure. The A cations are suspected to play a role in this modulation affecting it mainly through the tolerance factor and the size variance. The reported crystal structure calls for a revision of the structure models proposed for the family of layered A-site ordered perovskites exhibiting a similar type of modulated structure. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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| Language |
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Wos |
000321809700015 |
Publication Date |
2013-06-04 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0897-4756;1520-5002; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
9.466 |
Times cited |
23 |
Open Access |
|
| Notes |
Countatoms |
Approved |
Most recent IF: 9.466; 2013 IF: 8.535 |
| Call Number |
UA @ lucian @ c:irua:109216 |
Serial |
1292 |
| Permanent link to this record |
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| Author |
Ustarroz, J.; Hammons, J.A.; Altantzis, T.; Hubin, A.; Bals, S.; Terryn, H. |
| Title |
A generalized electrochemical aggregative growth mechanism |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
| Volume |
135 |
Issue |
31 |
Pages |
11550-11561 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The early stages of nanocrystal nucleation and growth are still an active field of research and remain unrevealed. In this work, by the combination of aberration-corrected transmission electron microscopy (TEM) and electrochemical characterization of the electrodeposition of different metals, we provide a complete reformulation of the VolmerWeber 3D island growth mechanism, which has always been accepted to explain the early stages of metal electrodeposition and thin-film growth on low-energy substrates. We have developed a Generalized Electrochemical Aggregative Growth Mechanism which mimics the atomistic processes during the early stages of thin-film growth, by incorporating nanoclusters as building blocks. We discuss the influence of new processes such as nanocluster self-limiting growth, surface diffusion, aggregation, and coalescence on the growth mechanism and morphology of the resulting nanostructures. Self-limiting growth mechanisms hinder nanocluster growth and favor coalescence driven growth. The size of the primary nanoclusters is independent of the applied potential and deposition time. The balance between nucleation, nanocluster surface diffusion, and coalescence depends on the material and the overpotential, and influences strongly the morphology of the deposits. A small extent of coalescence leads to ultraporous dendritic structures, large surface coverage, and small particle size. Contrarily, full recrystallization leads to larger hemispherical monocrystalline islands and smaller particle density. The mechanism we propose represents a scientific breakthrough from the fundamental point of view and indicates that achieving the right balance between nucleation, self-limiting growth, cluster surface diffusion, and coalescence is essential and opens new, exciting possibilities to build up enhanced supported nanostructures using nanoclusters as building blocks. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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| Language |
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Wos |
000323019400034 |
Publication Date |
2013-06-28 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0002-7863;1520-5126; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
13.858 |
Times cited |
124 |
Open Access |
|
| Notes |
Fow; Hercules |
Approved |
Most recent IF: 13.858; 2013 IF: 11.444 |
| Call Number |
UA @ lucian @ c:irua:109453 |
Serial |
1323 |
| Permanent link to this record |
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| Author |
Amini, M.N.; Leenaerts, O.; Partoens, B.; Lamoen, D. |
| Title |
Graphane- and fluorographene-based quantum dots |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
| Volume |
117 |
Issue |
31 |
Pages |
16242-16247 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
| Abstract |
With the help of first-principles calculations, we investigate graphane/fluorographene heterostructures with special attention for graphane and fluorographene-based quantum dots. Graphane and fluorographene have large electronic band gaps, and we show that their band structures exhibit a strong type-II alignment. In this way, it is possible to obtain confined electron states in fluorographene nanostructures by embedding them in a graphane crystal. Bound hole states can be created in graphane domains embedded in a fluorographene environment. For circular graphane/fluorographene quantum dots, localized states can be observed in the band gap if the size of the radii is larger than approximately 4 to 5 Å. |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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| Language |
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Wos |
000323082300046 |
Publication Date |
2013-07-15 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1932-7447;1932-7455; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.536 |
Times cited |
14 |
Open Access |
|
| Notes |
FWO; GOW; Hercules |
Approved |
Most recent IF: 4.536; 2013 IF: 4.835 |
| Call Number |
UA @ lucian @ c:irua:109457 |
Serial |
1367 |
| Permanent link to this record |
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| Author |
Batuk, M.; Batuk, D.; Tsirlin, A.A.; Rozova, M.G.; Antipov, E.V.; Hadermann, J.; Van Tendeloo, G. |
| Title |
Homologous series of layered perovskites An+1BnO3n-1Cl : crystal and magnetic structure of a new oxychloride Pb4BiFe4O11Cl |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
| Volume |
52 |
Issue |
4 |
Pages |
2208-2218 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The nuclear and magnetic structure of a novel oxychloride Pb4BiFe4O11Cl has been studied over the temperature range 1.5700 K using a combination of transmission electron microscopy and synchrotron and neutron powder diffraction [space group P4/mbm, a = 5.5311(1) Å, c = 19.586(1) Å, T = 300 K]. Pb4BiFe4O11Cl is built of truncated (Pb,Bi)3Fe4O11 quadruple perovskite blocks separated by CsCl-type (Pb,Bi)2Cl slabs. The perovskite blocks consist of two layers of FeO6 octahedra located between two layers of FeO5 tetragonal pyramids. The FeO6 octahedra rotate about the c axis, resulting in a √2ap × √2ap × c superstructure. Below TN = 595(17) K, Pb4BiFe4O11Cl adopts a G-type antiferromagnetic structure with the iron magnetic moments confined to the ab plane. The ordered magnetic moments at 1.5 K are 3.93(3) and 3.62(4) μB on the octahedral and square-pyramidal iron sites, respectively. Pb4BiFe4O11Cl can be considered a member of the perovskite-based An+1BnO3n1Cl homologous series (A = Pb/Bi; B = Fe) with n = 4. The formation of a subsequent member of the series with n = 5 is also demonstrated. |
| Address |
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Thesis |
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| Publisher |
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Place of Publication |
Easton, Pa |
Editor |
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| Language |
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Wos |
000315255200067 |
Publication Date |
2013-02-05 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0020-1669;1520-510X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.857 |
Times cited |
6 |
Open Access |
|
| Notes |
Countatoms |
Approved |
Most recent IF: 4.857; 2013 IF: 4.794 |
| Call Number |
UA @ lucian @ c:irua:106185 |
Serial |
1486 |
| Permanent link to this record |
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| Author |
Morozov, V.A.; Bertha, A.; Meert, K.W.; Van Rompaey, S.; Batuk, D.; Martinez, G.T.; Van Aert, S.; Smet, P.F.; Raskina, M.V.; Poelman, D.; Abakumov, A.M.; Hadermann, J.; |
| Title |
Incommensurate modulation and luminescence in the CaGd2(1-x)Eu2x(MoO4)4(1-y)(WO)4y (0\leq x\leq1, 0\leq y\leq1) red phosphors |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| Volume |
25 |
Issue |
21 |
Pages |
4387-4395 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Scheelite related compounds (A',A '') [(B',B '')O-4], with B', B '' = W and/or Mo are promising new light-emitting materials for photonic applications, including phosphor converted LEDs (light-emitting diodes). In this paper, the creation and ordering of A-cation vacancies and the effect of cation substitutions in the scheelite-type framework are investigated as a factor for controlling the scheelite-type structure and luminescent properties. CaGd2(1-x)Eu2x(MoO4)(4(1-y))(WO4)(4y) (0 <= x <= 1, 0 <= y <= 1) solid solutions with scheelite-type structure were synthesized by a solid state method, and their structures were investigated using a combination of transmission electron microscopy techniques and powder X-ray diffraction. Within this series all complex molybdenum oxides have (3 + 2)D incommensurately modulated structures with superspace group I4(1)/a(alpha,beta,0)00(-beta,alpha,0)00, while the structures of all tungstates are (3 + 1)D incommensurately modulated with superspace group I2/b(alpha beta 0)00. In both cases the modulation arises because of cation-vacancy ordering at the A site. The prominent structural motif is formed by columns of A-site vacancies running along the c-axis. These vacant columns occur in rows of two or three aligned along the [110] direction of the scheelite subcell. The replacement of the smaller Gd3+ by the larger Eu3+ at the A-sublattice does not affect the nature of the incommensurate modulation, but an increasing replacement of Mo6+ by W6+ switches the modulation from (3 + 2)D to (3 + 1)D regime. Thus, these solid solutions can be considered as a model system where the incommensurate modulation can be monitored as a function of cation nature while the number of cation vacancies at the A sites remain constant upon the isovalent cation replacement. All compounds' luminescent properties were measured, and the optical properties were related to the structural properties of the materials. CaGd2(1-x)(MoO4)(4(1-y))(WO4)(4y) phosphors emit intense red light dominated by the D-5(0)-F-7(2) transition at 612 nm, along with other transitions from the D-5(1) and D-5(0) excited states. The intensity of the 5D0-7F2 transition reaches a maximum at x = 0.5 for y = 0 and 1. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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| Language |
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Wos |
000327045000030 |
Publication Date |
2013-09-24 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
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| ISSN |
0897-4756;1520-5002; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
9.466 |
Times cited |
63 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 9.466; 2013 IF: 8.535 |
| Call Number |
UA @ lucian @ c:irua:112776 |
Serial |
1594 |
| Permanent link to this record |
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| |
| Author |
Tsoufis, T.; Georgakilas, V.; Ke, X.; Van Tendeloo, G.; Rudolf, P.; Gournis, D. |
| Title |
Incorporation of pure fullerene into organoclays : towards C60-pillared clay structures |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Chemistry: a European journal |
Abbreviated Journal |
Chem-Eur J |
| Volume |
19 |
Issue |
24 |
Pages |
7937-7943 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
In this work, we demonstrate the successful incorporation of pure fullerene from solution into two-dimensional layered aluminosilicate minerals. Pure fullerenes are insoluble in water and neutral in terms of charge, hence they cannot be introduced into the clay galleries by ion exchange or intercalation from water solution. To overcome this bottleneck, we organically modified the clay with quaternary amines by using well-established reactions in clay science in order to expand the interlayer space and render the galleries organophilic. During the reaction with the fullerene solution, the organic solvent could enter into the clay galleries, thus transferring along the fullerene molecules. Furthermore, we demonstrate that the surfactant molecules, can be selectively removed by either simple ion-exchange reaction (e.g., interaction with Al(NO3)3 solution to replace the surfactant molecules with Al3+ ions) or thermal treatment (heating at 350 °C) to obtain novel fullerene-pillared clay structures exhibiting enhanced surface area. The synthesized hybrid materials were characterized in detail by a combination of experimental techniques including powder X-ray diffraction, transmission electron microscopy, X-ray photoemission, and UV/Vis spectroscopy as well as thermal analysis and nitrogen adsorptiondesorption measurements. The reported fullerene-pillared clay structures constitute a new hybrid system with very promising potential for the use in areas such as gas storage and/or gas separation due to their high surface area. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Weinheim |
Editor |
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| Language |
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Wos |
000319825500035 |
Publication Date |
2013-04-15 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
|
| ISSN |
0947-6539; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
5.317 |
Times cited |
3 |
Open Access |
|
| Notes |
262348 Esmi; 246791 Countatoms |
Approved |
Most recent IF: 5.317; 2013 IF: 5.696 |
| Call Number |
UA @ lucian @ c:irua:107347 |
Serial |
1599 |
| Permanent link to this record |
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| |
| 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 |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Weinheim |
Editor |
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| Language |
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Wos |
000330567000009 |
Publication Date |
2013-10-08 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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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 |
| Permanent link to this record |
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| |
| Author |
Kalidindi, S.B.; Wiktor, C.; Ramakrishnan, A.; Weßing, J.; Schneemann, A.; Van Tendeloo, G.; Fischer, R.A. |
| Title |
Lewis base mediated efficient synthesis and solvation-like host-guest chemistry of covalent organic framework-1 |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Chemical communications |
Abbreviated Journal |
Chem Commun |
| Volume |
49 |
Issue |
5 |
Pages |
463-465 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
N-Lewis base mediated room temperature synthesis of covalent organic frameworks (COFs) starting from a solution of building blocks instead of partially soluble building blocks was developed. This protocol shifts COF synthetic chemistry from sealed tubes to open beakers. Non-conventional inclusion compounds of COF-1 were obtained by vapor phase infiltration of ferrocene and azobenzene, and solvation like effects were established. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
London |
Editor |
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| Language |
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Wos |
000312193100007 |
Publication Date |
2012-11-06 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
|
Edition |
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| ISSN |
1359-7345;1364-548X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.319 |
Times cited |
17 |
Open Access |
|
| Notes |
262348 Esmi |
Approved |
Most recent IF: 6.319; 2013 IF: 6.718 |
| Call Number |
UA @ lucian @ c:irua:105953 |
Serial |
1815 |
| Permanent link to this record |
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| |
| Author |
Vorobyeva, N.; Rumyantseva, M.; Filatova, D.; Konstantinova, E.; Grishina, D.; Abakumov, A.; Turner, S.; Gaskov, A. |
| Title |
Nanocrystalline ZnO(Ga) : paramagnetic centers, surface acidity and gas sensor properties |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Sensors and actuators : B : chemical |
Abbreviated Journal |
Sensor Actuat B-Chem |
| Volume |
182 |
Issue |
|
Pages |
555-564 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Nanocrystalline ZnO and ZnO(Ga) samples with different gallium content were prepared by wet-chemical method. Introduction of gallium leads to the increase of amount of weak acid sites such as surface hydroxyl groups. Gas sensing properties toward 0.22 ppm H2S and NO2 were studied at 100450 °C by DC conductance measurements. The optimal temperature for gas sensing experiments was determined. Sensor signal toward H2S decreases with increase of Ga concentration. The dependence of ZnO(Ga) sensor signal to NO2 on the gallium content has non-monotonous character, which correlates with the change of conductivity of the samples in air and concentration of paramagnetic donor states. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Lausanne |
Editor |
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| Language |
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Wos |
000319488800075 |
Publication Date |
2013-03-27 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0925-4005; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
5.401 |
Times cited |
42 |
Open Access |
|
| Notes |
Hercules; FWO |
Approved |
Most recent IF: 5.401; 2013 IF: 3.840 |
| Call Number |
UA @ lucian @ c:irua:107346 |
Serial |
2250 |
| Permanent link to this record |
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| Author |
Tan, H.; Tian, H.; Verbeeck, J.; Janssens, K.; Van Tendeloo, G. |
| Title |
Nanoscale investigation of the degradation mechanism of a historical chrome yellow paint by quantitative electron energy loss spectroscopy mapping of chromium species |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
| Volume |
52 |
Issue |
43 |
Pages |
11360-11363 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
Getting the picture: The investigation of 100 year old chrome yellow paint by transmission electron microscopy and spectroscopy has led to the identification of four types of coreshell particles. This nanoscale investigation has allowed a mechanism to be proposed for the darkening of some bright yellow colors in Van Gogh's paintings (e.g. in Falling leaves (Les Alyscamps), 1888). |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Weinheim |
Editor |
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| Language |
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Wos |
000330735800026 |
Publication Date |
2013-09-13 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1433-7851; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
11.994 |
Times cited |
29 |
Open Access |
|
| Notes |
Esteem2; Vortex; Countatoms; esteem2jra3 ECASJO; |
Approved |
Most recent IF: 11.994; 2013 IF: 11.336 |
| Call Number |
UA @ lucian @ c:irua:110947UA @ admin @ c:irua:110947 |
Serial |
2266 |
| Permanent link to this record |
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| Author |
Khalilov, U.; Pourtois, G.; Huygh, S.; van Duin, A.C.T.; Neyts, E.C.; Bogaerts, A. |
| Title |
New mechanism for oxidation of native silicon oxide |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
| Volume |
117 |
Issue |
19 |
Pages |
9819-9825 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Continued miniaturization of metal-oxide-semiconductor field-effect transistors (MOSFETs) requires an ever-decreasing thickness of the gate oxide. The structure of ultrathin silicon oxide films, however, critically depends on the oxidation mechanism. Using reactive atomistic simulations, we here demonstrate how the oxidation mechanism in hyperthermal oxidation of such structures may be controlled by the oxidation temperature and the oxidant energy. Specifically, we study the interaction of hyperthermal oxygen with energies of 15 eV with thin SiOx (x ≤ 2) films with a native oxide thickness of about 10 Å. We analyze the oxygen penetration depth probability and compare with results of the hyperthermal oxidation of a bare Si(100){2 × 1} (c-Si) surface. The temperature-dependent oxidation mechanisms are discussed in detail. Our results demonstrate that, at low (i.e., room) temperature, the penetrated oxygen mostly resides in the oxide region rather than at the SiOx|c-Si interface. However, at higher temperatures, starting at around 700 K, oxygen atoms are found to penetrate and to diffuse through the oxide layer followed by reaction at the c-Si boundary. We demonstrate that hyperthermal oxidation resembles thermal oxidation, which can be described by the DealGrove model at high temperatures. Furthermore, defect creation mechanisms that occur during the oxidation process are also analyzed. This study is useful for the fabrication of ultrathin silicon oxide gate oxides for metal-oxide-semiconductor devices as it links parameters that can be straightforwardly controlled in experiment (oxygen temperature, velocity) with the silicon oxide structure. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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| Language |
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Wos |
000319649100032 |
Publication Date |
2013-04-23 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1932-7447;1932-7455; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.536 |
Times cited |
24 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4.536; 2013 IF: 4.835 |
| Call Number |
UA @ lucian @ c:irua:107989 |
Serial |
2321 |
| Permanent link to this record |
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| Author |
Bittencourt, C.; Ke, X.; Van Tendeloo, G.; Tagmatarchis, N.; Guttmann, P. |
| Title |
NEXAFS spectromicroscopy of suspended carbon nanohorns |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
| Volume |
587 |
Issue |
|
Pages |
85-87 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
We demonstrate that near-edge X-ray-absorption fine-structure spectroscopy combined with full-field transmission X-ray microscopy can be used to study the electronic structure of suspended carbon nanohorns. Based on reports of electronic structure calculations additional spectral features observed in the π region of the NEXAFS spectrum recorded on the carbon nanohorns were associated to the presence of the pentagonal rings and the folding of the graphene sheet. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Amsterdam |
Editor |
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| Language |
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Wos |
000326104500016 |
Publication Date |
2013-09-18 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0009-2614; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.815 |
Times cited |
4 |
Open Access |
|
| Notes |
Fp7; Countatoms; |
Approved |
Most recent IF: 1.815; 2013 IF: 1.991 |
| Call Number |
UA @ lucian @ c:irua:111592 |
Serial |
2339 |
| Permanent link to this record |
