Records |
Author |
Trincavelli, J.; Montoro, S.; van Espen, P.; Van Grieken, R. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
M\alpha/L\alpha intensity ratios for Ta, W, Pt, Au, Pb and Bi for electron energies in the 11-40 keV range |
Type |
A1 Journal article |
Year |
1993 |
Publication |
X-ray spectrometry |
Abbreviated Journal |
|
Volume |
22 |
Issue |
|
Pages |
372-376 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3) |
Abstract |
Both energy- and wavelength-dispersive systems were used to obtain Malpha/Lalpha intensity ratios for Ta, W, Pt, Au, Pb and Bi at various overvoltages. A table of these ratios corrected for matrix absorption and detector efficiency is presented, in addition to an interpolatory function of Malpha/Lalpha generated ratios vs. overvoltage, for each element. In addition, three different ZAF correction models were used to predict both detected and generated ratios. Finally, experimental Mbeta/Malpha ratios measured at different overvoltages are presented for the six elements considered. |
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 |
A1993MB01200008 |
Publication Date |
2005-05-28 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0049-8246 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
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Times cited |
|
Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:6221 |
Serial |
8649 |
Permanent link to this record |
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|
|
Author |
Abreu, Y.; Cruz, C.M.; van Espen, P.; Piñera, I.; Leyva, A.; Cabal, A.E. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Multiscale modeling of radiation damage and annealing in Si samples implanted with 57-Mn radioactive ions |
Type |
P1 Proceeding |
Year |
2011 |
Publication |
IEEE conference record
T2 – IEEE Nuclear Science Symposium/Medical Imaging Conference (NSS/MIC)/18th, International Workshop on Room-Temperature Semiconductor X-Ray and, Gamma-Ray Detectors, OCT 23-29, 2011, Valencia, SPAIN |
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
1754-1756 |
Keywords |
P1 Proceeding; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
The radiation damage created in silicon materials by Mn-57 -> Fe-57 ion implantation has been studied and characterized by Mossbauer spectroscopy showing four main lines, assigned to: substitutional, interstitial and damaged configuration sites of the implanted ions. Nevertheless, the Mossbauer spectrum of Fe-57 in this materials remains with some ambiguous identification regarding the implantation configurations before and after annealing, specially the damaged configurations and its evolution. In the present work some possible implantation configurations are suggested and evaluated using a multiscale approach by Monte Carlo ion transport and electronic structure calculations within DFT. The proposed implantation environments were evaluated in terms of stability and the Fe-57 hyperfine parameters were calculated to establish the connections with the experimental observations. Good agreement was found between the experimental and the calculated hyperfine parameters for some configurations; suggesting which ones could be the implantation environments before and after sample annealing. |
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Thesis |
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Place of Publication |
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Language |
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Wos |
000304755601202 |
Publication Date |
|
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
978-1-4673-0120-6 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:113073 |
Serial |
8289 |
Permanent link to this record |
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|
Author |
Schryvers, D. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Multiply twinned phases and microstructures in Ni-Al: a transmission electron microscopy study |
Type |
H3 Book chapter |
Year |
1991 |
Publication |
|
Abbreviated Journal |
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Volume |
|
Issue |
|
Pages |
143-152 |
Keywords |
H3 Book chapter; Electron microscopy for materials research (EMAT) |
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 |
s.l. |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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 |
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ISBN |
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Additional Links |
UA library record |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ lucian @ c:irua:48352 |
Serial |
2237 |
Permanent link to this record |
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|
|
Author |
Mescia, L.; Chiapperino, M.A.; Bia, P.; Lamacchia, C.M.; Gielis, J.; Caratelli, D. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Multiphysics modelling of membrane electroporation in irregularly shaped cells |
Type |
P1 Proceeding |
Year |
2019 |
Publication |
Progress in Electromagnetic Research Symposium (PIERS)
T2 – 2019 PhotonIcs & Electromagnetics Research Symposium – Spring (PIERS-Spring), 17-20 June 2019, Rome, Italy |
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
2992-2998 |
Keywords |
P1 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
Electroporation is a non-thermal electromagnetic phenomenon widely used in medical diseases treatment. Different mathematical models of electroporation have been proposed in literature to study pore evolution in biological membranes. This paper presents a nonlinear dispersive multiphysic model of electroporation in irregular shaped biological cells in which the spatial and temporal evolution of the pores size is taken into account. The model solves Maxwell and asymptotic Smoluchowski equations and it describes the dielectric dispersion of cell media using a Debye-based relationship. Furthermore, the irregular cell shape has been modeled using the Gielis superformula. Taking into account the cell in mitosis phase, the electroporation process has been studied comparing the numerical results pertaining the model with variable pore radius with those in which the pore radius is supposed constant. The numerical analysis has been performed exposing the biological cell to a rectangular electric pulse having duration of 10 μs. The obtained numerical results highlight considerable differences between the two different models underling the need to include into the numerical algorithm the differential equation modeling the spatial and time evolution of the pores size. |
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 |
000550769302159 |
Publication Date |
2020-03-03 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
978-1-72813-404-8; 978-1-72813-403-1 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:169170 |
Serial |
8288 |
Permanent link to this record |
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|
|
Author |
Sturaro, G.; Camuffo, D.; Brimblecombe, P.; Van Grieken, R.; Busse, H.-J.; Bernardi, A.; Valentino, A.; Blades, N.; Gysels, K.; Deutsch, F.; Wieser, M.; Buczolits, S. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Multidisciplinary environmental monitoring at the Kunsthistorisches Museum, Vienna |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Journal of trace and microprobe techniques |
Abbreviated Journal |
|
Volume |
21 |
Issue |
2 |
Pages |
273-294 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
|
Language |
|
Wos |
000183378600007 |
Publication Date |
2003-06-10 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0733-4680; 1532-2270 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:42730 |
Serial |
8287 |
Permanent link to this record |
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|
|
Author |
Smets, B.; Boschker, H.T.S.; Wetherington, M.T.; Lelong, G.; Hidalgo-Martinez, S.; Polerecky, L.; Nuyts, G.; De Wael, K.; Meysman, F.J.R. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Multi-wavelength Raman microscopy of nickel-based electron transport in cable bacteria |
Type |
A1 Journal article |
Year |
2024 |
Publication |
Frontiers in microbiology |
Abbreviated Journal |
|
Volume |
15 |
Issue |
|
Pages |
1208033-16 |
Keywords |
A1 Journal article |
Abstract |
Cable bacteria embed a network of conductive protein fibers in their cell envelope that efficiently guides electron transport over distances spanning up to several centimeters. This form of long-distance electron transport is unique in biology and is mediated by a metalloprotein with a sulfur-coordinated nickel (Ni) cofactor. However, the molecular structure of this cofactor remains presently unknown. Here, we applied multi-wavelength Raman microscopy to identify cell compounds linked to the unique cable bacterium physiology, combined with stable isotope labeling, and orientation-dependent and ultralow-frequency Raman microscopy to gain insight into the structure and organization of this novel Ni-cofactor. Raman spectra of native cable bacterium filaments reveal vibrational modes originating from cytochromes, polyphosphate granules, proteins, as well as the Ni-cofactor. After selective extraction of the conductive fiber network from the cell envelope, the Raman spectrum becomes simpler, and primarily retains vibrational modes associated with the Ni-cofactor. These Ni-cofactor modes exhibit intense Raman scattering as well as a strong orientation-dependent response. The signal intensity is particularly elevated when the polarization of incident laser light is parallel to the direction of the conductive fibers. This orientation dependence allows to selectively identify the modes that are associated with the Ni-cofactor. We identified 13 such modes, some of which display strong Raman signals across the entire range of applied wavelengths (405–1,064 nm). Assignment of vibrational modes, supported by stable isotope labeling, suggest that the structure of the Ni-cofactor shares a resemblance with that of nickel bis(1,2-dithiolene) complexes. Overall, our results indicate that cable bacteria have evolved a unique cofactor structure that does not resemble any of the known Ni-cofactors in biology. |
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 |
001189511900001 |
Publication Date |
2024-03-08 |
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 |
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Edition |
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ISSN |
1664-302x |
ISBN |
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Additional Links |
UA library record; WoS full record |
Impact Factor |
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Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:205115 |
Serial |
9214 |
Permanent link to this record |
|
|
|
Author |
Vandelannoote, R.; Blommaert, W.; Van 't dack, L.; van Grieken, R.; Gijbels, R. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Multi-element trace analysis of geothermal waters : problems, characteristics and applicability |
Type |
P3 Proceeding |
Year |
1985 |
Publication |
|
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
523-527 |
Keywords |
P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
Chemie |
Place of Publication |
Heidelberg |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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 |
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ISBN |
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Additional Links |
UA library record |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ lucian @ c:irua:111511 |
Serial |
2210 |
Permanent link to this record |
|
|
|
Author |
Vos, L.; Robberecht, H.; Van Dyck, P.; Van Grieken, R. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Multi-element analysis of urine by energy-dispersive x-ray fluorescence spectrometry |
Type |
A1 Journal article |
Year |
1981 |
Publication |
Analytica chimica acta |
Abbreviated Journal |
|
Volume |
130 |
Issue |
1 |
Pages |
167-175 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
For multi-element analysis of human urine, 25-ml samples doped with yttrium as internal standard are evaporated gently and then ashed up to 460°C overnight. The residue is pelletized and analysed by energy-dispersive x-ray fluorescence. Acid addition to facilitate the digestion is not mandatory. Recoveries are nearly quantitative for traces of Fe, Ni, Cu, Zn and Sr, to a lesser extent for lead, but not for arsenic or selenium. The standard deviation per measurement is typically around 6%. The detection limits are such that some 10 elements can be determined simultaneously in normal urine, and possibly more in cases of importance to toxicology or industrial hygiene. |
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 |
A1981ME98900017 |
Publication Date |
2002-07-25 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
0003-2670; 1873-4324 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:116439 |
Serial |
8285 |
Permanent link to this record |
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|
|
Author |
Conti, S. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Multi-band superfluidity and BEC-BCS crossover in novel ultrathin materials |
Type |
Doctoral thesis |
Year |
2020 |
Publication |
|
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
123 p. |
Keywords |
Doctoral thesis; Sociology; History; Condensed Matter Theory (CMT) |
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 |
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Editor |
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Language |
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Wos |
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Publication Date |
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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 |
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ISBN |
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Additional Links |
UA library record |
Impact Factor |
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Times cited |
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Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:169036 |
Serial |
6565 |
Permanent link to this record |
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|
|
Author |
Nowak, D.; Florek, M.; Nowak, J.; Kwiatek, W.; Lekki, J.; Chevallier, P.; Hacura, A.; Wrzalik, R.; Ben-Nissan, B.; Van Grieken, R.; Kuczumow, A. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Morphology and the chemical make-up of the inorganic components of black corals |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Materials science and engineering: part C: biomimetic materials |
Abbreviated Journal |
|
Volume |
29 |
Issue |
3 |
Pages |
1029-1038 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Black corals (Cnidaria, Antipatharia) from three different sources were investigated with the aim of detecting inorganic components and their morphology. In general, the skeleton of black corals was composed of the chitin fibrils admixed with peptides and the chitin presence was confirmed by the X-ray diffraction (XRD), Fourier Transformed Infrared Spectrometry (FTIR) and microRaman Microscopy, the latter giving the opportunity of tracing single fibrils and their location. The composition and concentrations of the inorganic components of the black corals were measured, using a scanning electron microprobe and micro-Particle Induced X-ray Emission (µ-PIXE). The application of such instruments enabled the estimation of the constituent distributions in a microscale. The mapping option was the most useful technique of making analyses in these studies, just to reveal the composition of chamber-like cells. Analysis of the morphology and microstructure showed that there were three distinct regions within the coral: a core and the cells encircled with adjacent interface gluing strips. The majority of the elements analyzed were selectively distributed and segregated in a striking way in mentioned distinctive zones of the skeleton and it was detected for the first time. The core area was characterized by the relatively elevated concentrations of Ca. The measurements gave extremely clear images of the distribution of particular elements in the skeletal tissue, with I, Ca, K and Fe much more concentrated in the gluing zones, while C, N, Na and Mg present in the interiors of particular skeletal cells. The distribution of some elements (Mg, Fe) and some compounds (chitin) and functional groups (SS, CI) allows differentiating the biological and mechanical functions of particular fragments of the rods. The kinds of elements and their concentrations measured were essentially in compliance with rare data available in the literature. The Raman technique gave the additional qualitative information about the structure of gluing zone and the chitin fibrils and surrounding matrix inside the cell interior. |
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 |
000266520400065 |
Publication Date |
2008-09-10 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
0928-4931 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
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Times cited |
|
Open Access |
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Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:76024 |
Serial |
8284 |
Permanent link to this record |
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|
|
Author |
Smekens, A.; Vervoort, M.; Pauwels, J.; Berghmans, P.; van Espen, P.; Van Grieken, R. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Morphology and fractal dimension of soot and carbon black aggregates determined by image analysis |
Type |
P3 Proceeding |
Year |
1998 |
Publication |
|
Abbreviated Journal |
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Volume |
|
Issue |
|
Pages |
|
Keywords |
P3 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3) |
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 |
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Editor |
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Language |
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Wos |
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Publication Date |
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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 |
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ISBN |
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Additional Links |
UA library record |
Impact Factor |
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Times cited |
|
Open Access |
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Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:22779 |
Serial |
8283 |
Permanent link to this record |
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|
|
Author |
Roet, D.; van Espen, P. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Monte Carlo simulation of X-ray spectra from low energy electrons using optical data |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms |
Abbreviated Journal |
|
Volume |
268 |
Issue |
17/18 |
Pages |
2794-2800 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
An approach using optical data to simulate both the bremsstrahlung continuum and characteristic K and L X-ray lines generated by low energy electrons (cfr. electron microscopy) in solids is discussed in this paper. The necessary analytical expressions together with the data to calculate the relevant cross sections for elastic and inelastic interactions at these energies along with variance reduction techniques are given. The results of the Monte Carlo simulation are compared to experimental data measured with a JEOL 6300 electron microscope. |
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 |
000281498900039 |
Publication Date |
2010-07-15 |
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 |
|
Edition |
|
ISSN |
0168-583x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:84261 |
Serial |
8281 |
Permanent link to this record |
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|
|
Author |
Vincze, L.; Janssens, K.; Vekemans, B.; Adams, F. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Monte Carlo simulation of X-ray fluorescence and scattering tomography experiments |
Type |
H1 Book chapter |
Year |
1999 |
Publication |
|
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
328-337 |
Keywords |
H1 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
|
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 |
|
Wos |
000083314300033 |
Publication Date |
2003-11-21 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
|
ISBN |
0-8194-3258-x |
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:26197 |
Serial |
5737 |
Permanent link to this record |
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|
|
Author |
Janssens, K.; Vincze, L.; van Espen, P.; Adams, F. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Monte Carlo simulation of conventional and synchrotron energy-dispersive X-ray spectrometers |
Type |
A1 Journal article |
Year |
1993 |
Publication |
X-ray spectrometry |
Abbreviated Journal |
|
Volume |
22 |
Issue |
|
Pages |
234-243 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
A1993LQ04200011 |
Publication Date |
2005-05-28 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0049-8246 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
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Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:6117 |
Serial |
5736 |
Permanent link to this record |
|
|
|
Author |
Van Dyck, P.; Török, S.; Van Grieken, R. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Monte Carlo simulation of backscattered peaks in secondary target energy-dispersive X-ray spectra |
Type |
A1 Journal article |
Year |
1986 |
Publication |
X-ray spectrometry |
Abbreviated Journal |
|
Volume |
15 |
Issue |
4 |
Pages |
231-238 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
A Monte Carlo simulation has been developed to describe the incoherent and coherent scatter processes for the complex geometry of a secondary target energy-dispersive x-ray fluorescence system. Photons are followed from the x-ray tube anode until the detection of scattered secondary target photons in the active Si layer of the detector. The program quantitatively shows the broadening of the incoherent scatter peak with increasing atomic number, and it models the incoherent peak shape adequately. The incoherent-to-coherent scatter intensity ratios obtained differ by 1030% from the theoretical values, while their dependence on the sample atomic number corresponds to that expected from theory. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Language |
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Wos |
A1986E535600001 |
Publication Date |
2005-05-28 |
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 |
0049-8246 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:113612 |
Serial |
8280 |
Permanent link to this record |
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|
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Author |
Vincze, L.; Janssens, K.; Vekemans, B.; Adams, F. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Monte Carlo simulation for X-ray fluorescence spectroscopy |
Type |
H3 Book chapter |
Year |
2004 |
Publication |
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Abbreviated Journal |
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Volume |
|
Issue |
|
Pages |
435-461 |
Keywords |
H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
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Address |
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Corporate Author |
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Place of Publication |
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Wos |
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Publication Date |
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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 |
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ISBN |
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Additional Links |
UA library record |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:45380 |
Serial |
5735 |
Permanent link to this record |
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|
|
Author |
Shayeganfar, F.; Vasu, K.S.; Nair, R.R.; Peeters, F.M.; Neek-Amal, M. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Monolayer alkali and transition-metal monoxides : MgO, CaO, MnO, and NiO |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
|
Volume |
95 |
Issue |
14 |
Pages |
144109 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Two-dimensional crystals with strong interactions between layers has attracted increasing attention in recent years in a variety of fields. In particular, the growth of a single layer of oxide materials (e.g., MgO, CaO, NiO, and MnO) over metallic substrates were found to display different physical properties than their bulk. In this study, we report on the physical properties of a single layer of metallic oxide materials and compare their properties with their bulk and other two-dimensional (2D) crystals. We found that the planar structure of metallic monoxides are unstable whereas the buckled structures are thermodynamically stable. Also, the 2D-MnO and NiO exhibit different magnetic (ferromagnetic) and optical properties than their bulk, whereas band-gap energy and linear stiffness are found to be decreasing from NiO to MgO. Our findings provide insight into oxide thin-film technology applications. |
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Corporate Author |
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Place of Publication |
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Wos |
000399792400001 |
Publication Date |
2017-04-20 |
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 |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
21 |
Open Access |
|
Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:152654 |
Serial |
8278 |
Permanent link to this record |
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|
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Author |
Alejo, ellys; Morales, M.C.; Nuñez, V.; Bencs, L.; Van Grieken, R.; van Espen, P. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Monitoring of tropospheric ozone in the ambient air with passive samplers |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Microchemical journal |
Abbreviated Journal |
|
Volume |
99 |
Issue |
2 |
Pages |
383-387 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Two sampling campaigns in suburban places in the north zone of Santa Clara city, Cuba, have been carried out on a weekly base with the use of Radiello passive diffusion tubes in order to monitor the tropospheric ozone (O3) levels in 2010. The first campaign was scheduled from February to April (cold season) and the second one in August and October (warm season), both of them at two sampling sites, i.e., Farm and School of Art Instructors. After aqueous extraction, the samples were analyzed by UVVIS spectrophotometry. A seasonal trend was observed with the maximum O3 concentrations in the cold season and the minimum levels in the warm season. Samples collected during the cold season showed the highest O3 levels. Higher levels were reached at the Farm site with average values of about 58 ± 12 μg/m3, which exceeded the limit of the Cuban Standard 99:1999. In the warm season, the O3 concentrations were similar for both sites, but lower than those observed in the cold season. The overall, seasonal average value was found to be 24 μg/m3. Despite the higher weekly average temperatures in August, the O3 concentrations during this month showed the lowest values of the whole sampling period, which finding is in agreement with that reported by the Meteorological Institute of Cuba. Mathematical models, based on the Cochrane-Orcutt algorithm, were fitted to the acquired data set to explain the change in the tropospheric ozone concentrations under various meteorological conditions during the two campaigns. The correlation coefficients for both the cold and the warm seasons demonstrated a strong correlation, i.e., 0.779 and 0.951, respectively. The high correlation of wind speed in the model from the first sampling campaign explains the sharp decrease in O3 concentrations at the SAI sampling site from the sixth week of sampling. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Language |
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Wos |
000295770700034 |
Publication Date |
2011-06-26 |
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 |
0026-265x; 0026-265x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
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Times cited |
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Open Access |
|
Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:93294 |
Serial |
8277 |
Permanent link to this record |
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|
|
Author |
Jacobs, W.; Dubois, D.; Aerts, D.; Declerck, P.; Stranger, M.; Buczyńska, A.; Godoi, A.; Van Grieken, R. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Monitoring of some major volatile organic compounds on board of chemical tankers |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Journal of maritime research |
Abbreviated Journal |
|
Volume |
7 |
Issue |
2 |
Pages |
3-20 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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 |
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Language |
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Wos |
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Publication Date |
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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 |
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ISBN |
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Additional Links |
UA library record |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:85577 |
Serial |
8275 |
Permanent link to this record |
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|
|
Author |
Stranger, M.; Krata, A.; Kontozova-Deutsch, V.; Bencs, L.; Deutsch, F.; Worobiec, A.; Naveau, I.; Roekens, E.; Van Grieken, R. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Monitoring of NO2 in the ambient air with passive samplers before and after a road reconstruction event |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Microchemical journal |
Abbreviated Journal |
|
Volume |
90 |
Issue |
2 |
Pages |
93-98 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP) |
Abstract |
Nitrogen dioxide (NO2) concentrations were used to evaluate the air quality before and after the infrastructural change of an important traffic artery in Mortsel, Antwerp (Belgium). During the reconstruction works two pairs of traffic lanes were reduced to one in each direction. Two sampling campaigns were conducted: the first one before the works in 2003 and the second one in 2005, after the road works were finished. Sampling was performed on a weekly base with the use of passive diffusion tubes on the streets, and also indoors in nearby houses. The samples were analyzed by ion chromatography, from which data the NO2 concentrations in air could be calculated. These results were compared with NO2 values from the air monitoring station 42R801 of the Flemish Environment Agency in Borgerhout, Antwerp. On the base of different NO2 concentrations, correlated well with the traffic density, sampling locations were classified into three groups as follows: 1) heavily polluted (heavy traffic); 2) moderately polluted (medium traffic); or 3) less polluted (low traffic density). Sampling sites located further from the road works, enclosed to the group less polluted, showedthe lowestNO2 concentrations. The highestNO2 levelwas found for the locations close to reconstructionworks, which belonged to the group heavily polluted. The contribution of NO2 was at the samelevel before and after the roadworks. During the first campaign it ranged from30±7 µg/m3 to 71±11 µg/m3 and during the second sampling itwas between 36±17 µg/m3 and 73±17 µg/m3. These modernizationworks had no impact on preventing the traffic-related pollutant as NO2 and as a consequence no significant effect on the air quality in the studied region. It has been proven that the impact of traffic on the air quality is unmistakably high and simply reduction of the number of the traffic lanes, intended to discourage the traffic flow, had apparently no environmentally advantageous effect |
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Place of Publication |
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Wos |
000261084200002 |
Publication Date |
2008-04-18 |
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 |
0026-265x; 0026-265x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:71076 |
Serial |
8276 |
Permanent link to this record |
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Author |
Lamoen, D.; Michel, K.H. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Molecular structure, crystal field and orientational order in solid C60 |
Type |
H1 Book chapter |
Year |
1994 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
183-202 |
Keywords |
H1 Book chapter; Condensed Matter Theory (CMT) |
Abstract |
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Address |
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Corporate Author |
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Publisher |
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Place of Publication |
s.l. |
Editor |
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Language |
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Wos |
A1994BE86T00011 |
Publication Date |
0000-00-00 |
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 |
|
ISBN |
0-7923-3109-5 |
Additional Links |
UA library record; WoS full record; |
Impact Factor |
|
Times cited |
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Open Access |
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Notes |
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Approved |
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Call Number |
UA @ lucian @ c:irua:9355 |
Serial |
2186 |
Permanent link to this record |
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Author |
Darchuk, L.A.; Zaverbna, L.V.; Worobiec, A.; Van Grieken, R. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Molecular spectroscopy study of human tooth tissues affected by high dose of external ionizing radiation (caused by the nuclear catastrophe of the Chernobyl plant) |
Type |
H1 Book chapter |
Year |
2012 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
349-362
T2 - Current topics in ionizing radiation |
Keywords |
H1 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP) |
Abstract |
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Address |
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Corporate Author |
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Publisher |
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Place of Publication |
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Wos |
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Publication Date |
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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 |
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ISBN |
978-953-51-0196-3 |
Additional Links |
UA library record |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:104626 |
Serial |
8274 |
Permanent link to this record |
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Author |
Kumar, M.; Sengupta, A.; Kummamuru, N.B. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Molecular simulations for carbon dioxide capture in silica slit pores |
Type |
A3 Journal article |
Year |
2023 |
Publication |
Materials Today: Proceedings |
Abbreviated Journal |
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Volume |
|
Issue |
|
Pages |
1-9 |
Keywords |
A3 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
In present work, we have performed the Grand Canonical Monte Carlo (GCMC) simulations to quantify CO2 capture inside porous silica at high operating temperatures of 673.15 K and 873.15 K; and over a operating pressure range of 500 kPa – 4000 kPa that are methane steam reforming process parameters. Related chemical potential values at these thermodynamic conditions are obtained from the bulk phase simulations in the Canonical ensemble in conjunction with Widom’s insertion technique, where the CO2 has been accurately represented by TraPPE force field. Present structure of the porous silica is a single slit pore geometry of various heights (H = 20 Å, 31.6 Å, 63.2 Å and 126.5 Å), dimensions in which possible vapour-liquid equilibria for generic square well fluids has been reported in literature. Estimation of the pore-fluid interactions show a higher interaction between silica pore and adsorbed CO2 compared to the reported pore-fluid interactions between homogeneous carbon slit pore and adsorbed CO2; thus resulting in an enhancement of adsorption inside silica pores of H = 20 Å and H = 126.5 Å, which are respectively 3.5 times and 1.5 times higher than that in homogeneous carbon slit pores of same dimensions and at 673.15 K and 500 kPa. Estimated local density plots indicate the presence of structured layers due to more molecular packing, which confirms possible liquid-like and vapour-like phase coexistence of the supercritical bulk phase CO2 under confinement. |
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Publication Date |
2023-05-06 |
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 |
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Edition |
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ISSN |
2214-7853 |
ISBN |
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Additional Links |
UA library record |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:200944 |
Serial |
9058 |
Permanent link to this record |
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Author |
Razzokov, J. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Molecular level simulations for plasma medicine applications |
Type |
Doctoral thesis |
Year |
2019 |
Publication |
|
Abbreviated Journal |
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Volume |
|
Issue |
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Pages |
173 p. |
Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
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Place of Publication |
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Publication Date |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:159654 |
Serial |
5277 |
Permanent link to this record |
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Author |
Bruynseels, F.J.; Van Grieken, R.E. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Molecular ion distributions in laser microprobe mass-spectrometry of calcium-oxide and calcium salts |
Type |
A1 Journal article |
Year |
1983 |
Publication |
Spectrochimica acta: part B : atomic spectroscopy |
Abbreviated Journal |
|
Volume |
38 |
Issue |
5-6 |
Pages |
853-858 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Laser Microprobe Mass Spectrometry (LAMMA) is used to examine micrometric particles of calcium oxyanion salts (CaCO3, CaSO4, CaSO4·2H2O) and calcium oxide, in both the positive and negative ion mode. The major molecular ions, appearing in the positive mass spectrum, can be divided into three series, namely CamOm-1+, (CaO)m+ and (CaO)mH+ (m = 1-4). In the case of the former two series the relative intensities of the mass peaks as a function of the fragment valence K = (1 + 2n)/m, for CamOn+, can be fitted to a Gaussian distribution curve, as was earlier demonstrated for secondary ion mass spectrometry. The high stability of the (CaO)mH+ series can be explained by the favourable fragment valence of +2 corresponding to the usual oxidation state of calcium. |
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Wos |
A1983QY80000019 |
Publication Date |
2002-07-25 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
0584-8547; 1873-3565 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:113626 |
Serial |
8273 |
Permanent link to this record |
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Author |
Stefaniak, E.A.; Worobiec, A.; Potgieter-Vermaak, S.; Alsecz, A.; Török, S.; Van Grieken, R. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Molecular and elemental characterisation of mineral particles by means of parallel micro-Raman spectrometry and Scanning Electron Microscopy/Energy Dispersive X-ray Analysis |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Spectrochimica acta: part B : atomic spectroscopy |
Abbreviated Journal |
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Volume |
61 |
Issue |
7 |
Pages |
824-830 |
Keywords |
A1 Journal article; Laboratory Experimental Medicine and Pediatrics (LEMP); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
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Address |
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Thesis |
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Publisher |
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Place of Publication |
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Wos |
000240393800008 |
Publication Date |
2006-07-19 |
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 |
0584-8547; 1873-3565 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:58917 |
Serial |
8272 |
Permanent link to this record |
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Author |
Chen, J.H.; van Dyck, D.; op de Beeck, M.; Broeckx, J.; van Landuyt, J. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Modification of the multislice method for calculating coherent STEM images |
Type |
A1 Journal article |
Year |
1995 |
Publication |
Physica status solidi: A: applied research |
Abbreviated Journal |
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Volume |
150 |
Issue |
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Pages |
13-22 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
Abstract |
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Thesis |
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Publisher |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
A1995RQ21500002 |
Publication Date |
2007-01-12 |
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 |
0031-8965;1521-396X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
5 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:13292 |
Serial |
2159 |
Permanent link to this record |
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Author |
Van Grieken, R.; Vleugels, G.; Roekens, E.; Veny, P. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Modern micro-analytical techniques to elucidate the causes and mechanisms of damage to cultural property |
Type |
H3 Book chapter |
Year |
1991 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
101-110
T2 - Science, technology and European cult |
Keywords |
H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
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Address |
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Publisher |
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Place of Publication |
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Editor |
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Wos |
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Publication Date |
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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 |
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ISBN |
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Additional Links |
UA library record |
Impact Factor |
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Times cited |
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Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:681 |
Serial |
8270 |
Permanent link to this record |
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|
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Author |
Van Grieken, R.; Dewolfs, R. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Modern micro-analytical techniques for the elucidation of causes and mechanisms of material deterioration |
Type |
P3 Proceeding |
Year |
1992 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
P3 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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 |
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Editor |
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Language |
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Wos |
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Publication Date |
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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 |
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ISBN |
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Additional Links |
UA library record |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:2858 |
Serial |
8269 |
Permanent link to this record |
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Author |
Arslan Irmak, E. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Modelling three-dimensional nanoparticle transformations based on quantitative transmission electron microscopy |
Type |
Doctoral thesis |
Year |
2022 |
Publication |
|
Abbreviated Journal |
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Volume |
|
Issue |
|
Pages |
169 p. |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
Abstract |
Nanomaterials are materials that have at least one dimension in the nanometer length scale, which corresponds to a billionth of a meter. When three dimensions are confined to the nanometer scale, these materials are referred to as nanoparticles. These materials are of great interest since they exhibit unique physical and chemical properties that cannot be observed for bulk systems. Due to their unique and often superior properties, nanomaterials have become central in the field of electronics, catalysis, and medicine. Moreover, they are expected to be one of the most promising systems to tackle many challenges that our society is facing, such as reducing the emission of greenhouse gases and finding effective treatments for cancer. The unique properties of nanomaterials are linked to their size, shape, structure, and composition. If one is able to measure the positions of the atoms, their chemical nature, and the bonding between them, it becomes possible to predict the physicochemical properties of nanomaterials. In this manner, the development of novel nanostructures can be triggered. However, the morphology and structure of nanomaterials are highly sensitive to the conditions for relevant applications, such as elevated temperatures or intense light illumination. Furthermore, any small change in the local structure at higher temperatures or pressures may significantly modify their performance. Hence, three-dimensional (3D) characterization of nanomaterials under application-relevant conditions is important in designing them with desired functional properties for specific applications. Among different structural characterization approaches, transmission electron microscopy (TEM) is one of the most efficient and versatile tools to investigate the structure and composition of nanomaterials since it can provide atomically resolved images, which are sensitive to the local 3D structure of the investigated sample. However, TEM only provides two-dimensional (2D) images of the 3D nanoparticle, which may lead to an incomplete understanding of their structure-property relationship. The most known and powerful technique for the 3D characterization of nanomaterials is electron tomography, where the images of a nanostructured material taken from different directions are mathematically combined to retrieve its 3D structure. Although these experiments are already state-of-the-art, 3D characterization by TEM is typically performed under ultra-high vacuum conditions and at room temperature. Such conditions are unfortunately not sufficient to understand transformations during synthesis or applications of nanomaterials. This limitation can be overcome by in situ TEM where external stimuli, such as heat, gas, and liquids, can be controllably introduced inside the TEM using specialized holders. However, there are some technical limitations to successful perform 3D in situ electron tomography experiments. For example, the long acquisition time required to collect a tilt series limits this technique when one wants to observe 3D dynamic changes with atomic resolution. A solution for this problem is the estimation of the 3D structure of nanomaterials from 2D projection images acquired along a single viewing direction. For this purpose, annular dark field scanning TEM (ADF STEM) imaging mode provides a valuable tool for quantitative structural investigation of nanomaterials from single 2D images due to its thickness and mass sensitivity. For quantitative analysis, an ADF STEM image is considered as a 2D array of pixels where relative variation of pixel intensity values is proportional to the total number of atoms and the atomic number of the elements in the sample. By applying advanced statistical approaches to these images, structural information, such as the number or types of atoms, can be retrieved with high accuracy and precision. The outcome can then be used to build a 3D starting model for energy minimization by atomistic simulations, for example, molecular dynamics simulations or the Monte Carlo method. However, this methodology needs to be further evaluated for in situ experiments. This thesis is devoted to presenting robust approaches to accurately define the 3D atomic structure of nanoparticles under application-relevant conditions and understand the mechanism behind the atomic-scale dynamics in nanoparticles in response to environmental stimuli. |
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Most recent IF: NA |
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UA @ admin @ c:irua:188295 |
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7063 |
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