Records |
Author |
Van Grieken, R.; Van 't dack, L.; Costa Dantas, C.; Moura de Amorim, W.; Maenhaut, W. |
Title |
Elemental constituents of atmospheric aerosols in Recife, North-East Brazil |
Type |
A3 Journal article |
Year |
1982 |
Publication |
Environmental pollution: series B : chemical and physical |
Abbreviated Journal |
|
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
4 |
Issue |
2 |
Pages |
143-163 |
Keywords |
A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Few data are available on the inorganic atmospheric pollution in the rapidly expanding cities of South America, like Recife, on the Atlantic Coast of North-east Brazil. Therefore, the elemental composition of atmospheric aerosols was investigated for nine sites in the Recife conurbation and a fairly remote site in the area. Total aerosol samples were collected on cellulose filters for analysis by energy dispersive X-ray fluorescence and cascade impactors were used to collect the aerosols as a function of particle size for subsequent analysis by proton-induced X-ray emission. Local soil aliquots were also analysed. About eighteen elements were quantified in all cases. The average total atmospheric concentrations appeared to be well above natural levels but usually lower than, or comparable with, those of North American and European cities. Dispersal of sea spray and of local soil (often contaminated with, for example, Cu, Zn and Pb from industrial sources) contributes predominantly to the total atmospheric load in Recife. However, the particle size fraction results also indicated strong excesses in the small particle mode for S, K, V, Mn, Ni, Cu, Zn, Br and Pb, mainly in the downtown area. Again, the corresponding enrichment factors were only moderate in comparison with other published urban data. |
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Place of Publication |
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Wos |
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Publication Date |
2003-09-11 |
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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 |
0143-148x; 1878-0695 |
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:111437 |
Serial |
7894 |
Permanent link to this record |
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Author |
Alaria, J.; Borisov, P.; Dyer, M.S.; Manning, T.D.; Lepadatu, S.; Cain, M.G.; Mishina, E.D.; Sherstyuk, N.E.; Ilyin, N.A.; Hadermann, J.; Lederman, D.; Claridge, J.B.; Rosseinsky, M.J.; |
Title |
Engineered spatial inversion symmetry breaking in an oxide heterostructure built from isosymmetric room-temperature magnetically ordered components |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Chemical science |
Abbreviated Journal |
Chem Sci |
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
5 |
Issue |
4 |
Pages |
1599-1610 |
Keywords |
A1 Journal article; 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 |
Royal Society of Chemistry |
Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000332467400044 |
Publication Date |
2014-01-20 |
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 |
2041-6520;2041-6539; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.668 |
Times cited |
24 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 8.668; 2014 IF: 9.211 |
Call Number |
UA @ lucian @ c:irua:117064 |
Serial |
1045 |
Permanent link to this record |
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Author |
Nikolaev, A.V.; Prassides, K.; Michel, K.H. |
Title |
Phase transitions in AC60 (A=Rb, Cs) fullerides |
Type |
A3 Journal article |
Year |
1997 |
Publication |
Recent advances in the chemistry and physics of fullerenes and related materials |
Abbreviated Journal |
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Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
5 |
Issue |
|
Pages |
450-460 |
Keywords |
A3 Journal article; Condensed Matter Theory (CMT) |
Abstract |
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Publisher |
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Place of Publication |
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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 |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:21182 |
Serial |
2596 |
Permanent link to this record |
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Author |
Berdiyorov, G.R.; Neek-Amal, M.; Hussein, I.A.; Madjet, M.E.; Peeters, F.M. |
Title |
Large CO2 uptake on a monolayer of CaO |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Journal of materials chemistry A : materials for energy and sustainability |
Abbreviated Journal |
J Mater Chem A |
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
5 |
Issue |
5 |
Pages |
2110-2114 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
Density functional theory calculations are used to study gas adsorption properties of a recently synthesized CaO monolayer, which is found to be thermodynamically stable in its buckled form. Due to its topology and strong interaction with the CO2 molecules, this material possesses a remarkably high CO2 uptake capacity (similar to 0.4 g CO2 per g adsorbent). The CaO + CO2 system shows excellent thermal stability (up to 1000 K). Moreover, the material is highly selective towards CO2 against other major greenhouse gases such as CH4 and N2O. These advantages make this material a very promising candidate for CO2 capture and storage applications. |
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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 |
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Language |
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Wos |
000395074300035 |
Publication Date |
2016-12-19 |
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 |
2050-7488; 2050-7496 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.867 |
Times cited |
2 |
Open Access |
|
Notes |
; ; |
Approved |
Most recent IF: 8.867 |
Call Number |
UA @ lucian @ c:irua:142034 |
Serial |
4556 |
Permanent link to this record |
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Author |
Ben Dkhil, S.; Pfannmöller, M.; Ata, I.; Duche, D.; Gaceur, M.; Koganezawa, T.; Yoshimoto, N.; Simon, J.-J.; Escoubas, L.; Videlot-Ackermann, C.; Margeat, O.; Bals, S.; Bauerle, P.; Ackermann, J. |
Title |
Time evolution studies of dithieno[3,2-b:2 ',3 '-d] pyrrole-based A-D-A oligothiophene bulk heterojunctions during solvent vapor annealing towards optimization of photocurrent generation |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Journal of materials chemistry A : materials for energy and sustainability |
Abbreviated Journal |
J Mater Chem A |
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
5 |
Issue |
5 |
Pages |
1005-1013 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Solvent vapor annealing (SVA) is one of the main techniques to improve the morphology of bulk heterojunction solar cells using oligomeric donors. In this report, we study time evolution of nanoscale morphological changes in bulk heterojunctions based on a well-studied dithienopyrrole-based A-D-A oligothiophene (dithieno[3,2-b: 2',3'-d] pyrrole named here 1) blended with [6,6]-phenyl-C-71-butyric acid methyl ester (PC71BM) to increase photocurrent density by combining scanning transmission electron microscopy and low-energy-loss spectroscopy. Our results show that SVA transforms the morphology of 1 : PC71BM blends by a three-stage mechanism: highly intermixed phases evolve into nanostructured bilayers that correspond to an optimal blend morphology. Additional SVA leads to completely phaseseparated micrometer-sized domains. Optical spacers were used to increase light absorption inside optimized 1 : PC71BM blends leading to solar cells of 7.74% efficiency but a moderate photocurrent density of 12.3 mA cm (-2). Quantum efficiency analyses reveal that photocurrent density is mainly limited by losses inside the donor phase. Indeed, optimized 1 : PC71BM blends consist of large donor-enriched domains not optimal for exciton to photocurrent conversion. Shorter SVA times lead to smaller domains; however they are embedded in large mixed phases suggesting that introduction of stronger molecular packing may help us to better balance phase separation and domain size enabling more efficient bulk heterojunction solar cells. |
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 |
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Language |
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Wos |
000394430800018 |
Publication Date |
2016-11-30 |
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 |
2050-7488; 2050-7496 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.867 |
Times cited |
19 |
Open Access |
Not_Open_Access |
Notes |
; We acknowledge financial support by the French Fond Unique Interministeriel (FUI) under the project “SFUMATO” (Grant number: F1110019V/201308815) as well as by the European Commission under the Project “SUNFLOWER” (FP7-ICT-2011-7, Grant number: 287594). The synchrotron radiation experiments were performed at BL19B2 in SPring-8 with the approval of Japan Synchrotron Radiation Research Institute (JASRI) (Proposal No. 2016A1568). We further acknowledge financial support via ERC Starting Grant Colouratoms (335078). ; |
Approved |
Most recent IF: 8.867 |
Call Number |
UA @ lucian @ c:irua:142602UA @ admin @ c:irua:142602 |
Serial |
4695 |
Permanent link to this record |
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Author |
Vanderborght, B.M.; Van Grieken, R.E. |
Title |
Trace metal analysis of water containing humic substances by X-ray fluorescence |
Type |
A1 Journal article |
Year |
1978 |
Publication |
International journal of environmental analytical chemistry |
Abbreviated Journal |
|
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
5 |
Issue |
3 |
Pages |
221-237 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Chelation by oxine followed by adsorption on activated carbon results in the efficient collection of many trace metal ions, independent of the trace metal concentration and of high alkali and alkaline earth ion abundances. Preconcentration factors around 10000 are often achieved. When this preconcentration procedure is combined with energy-dispersive X-ray fluorescence, accurate and precise analysis can be carried out, as was proven in several experiments. The technique can also be applied for the determination of divalent ions in natural waters containing up to 10 ppm of humic substances. Trivalent ions can quantitatively be collected from natural water provided suKicient activated carbon is added. Omitting the oxine chelation prior to the activated carbon adsorption step still results in collection of a sometimes important fraction of the trace metal ions from natural waters. This is related to organically bound or colloidal forms of the trace metals. |
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 |
A1978FR88000005 |
Publication Date |
2007-07-07 |
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 |
|
ISSN |
0306-7319 |
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:116570 |
Serial |
8692 |
Permanent link to this record |
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Author |
Liu, J.; Wang, C.; Yu, W.; Zhao, H.; Hu, Z.-Y.; Liu, F.; Hasan, T.; Li, Y.; Van Tendeloo, G.; Li, C.; Su, B.-L. |
Title |
Bioinspired noncyclic transfer pathway electron donors for unprecedented hydrogen production |
Type |
A1 Journal article |
Year |
2023 |
Publication |
CCS chemistry |
Abbreviated Journal |
|
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
5 |
Issue |
6 |
Pages |
1470-1482 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Electron donors are widely exploited in visible-light photocatalytic hydrogen production. As a typical electron donor pair and often the first choice for hydrogen production, the sodium sulfide-sodium sulfite pair has been extensively used. However, the resultant thiosulfate ions consume the photogenerated electrons to form an undesirable pseudocyclic electron transfer pathway during the photocatalytic process, strongly limiting the solar energy conversion efficiency. Here, we report novel and bioinspired electron donor pairs offering a noncyclic electron transfer pathway that provides more electrons without the consumption of the photogenerated electrons. Compared to the state-of-the-art electron donor pair Na2S-Na2SO3, these novel Na2S-NaH2PO2 and Na2S-NaNO2 electron donor pairs enable an unprecedented enhancement of up to 370% and 140% for average photocatalytic H-2 production over commercial CdS nanoparticles, and they are versatile for a large series of photocatalysts for visible-light water splitting. The discovery of these novel electron donor pairs can lead to a revolution in photocatalysis and is of great significance for industrial visible-light-driven H-2 production. [GRAPHICS] . |
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 |
001037091900008 |
Publication Date |
2022-06-30 |
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; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:198409 |
Serial |
8837 |
Permanent link to this record |
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Author |
Huvé, M.; Vannier, R.-N.; Nowogrocki, G.; Mairesse, G.; Van Tendeloo, G. |
Title |
From Bi4V2O11 to Bi4V2O10.66: the VV-VIV transformation in the Aurovillius-type framework |
Type |
A1 Journal article |
Year |
1996 |
Publication |
Journal of materials chemistry |
Abbreviated Journal |
|
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
6 |
Issue |
|
Pages |
1339-1345 |
Keywords |
A1 Journal article; 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 |
Cambridge |
Editor |
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Language |
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Wos |
A1996VC50700012 |
Publication Date |
2004-04-21 |
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 |
0959-9428;1364-5501; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
63 |
Open Access |
|
Notes |
|
Approved |
PHYSICS, MULTIDISCIPLINARY 6/79 Q1 # |
Call Number |
UA @ lucian @ c:irua:17847 |
Serial |
1287 |
Permanent link to this record |
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Author |
Lieberman, C.M.; Filatov, A.S.; Wei, Z.; Rogachev, A.Y.; Abakumov, A.M.; Dikarev, E.V. |
Title |
Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Chemical science |
Abbreviated Journal |
Chem Sci |
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
6 |
Issue |
6 |
Pages |
2835-2842 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A novel series of mixed-valent, heteroleptic transition metal diketonates that can be utilized as prospective single-source precursors for the low-temperature preparation of oxide materials are reported. The first mixed-valent iron beta-diketonates with different Fe-III/Fe-II ratios have been synthesized by applying the mixed-ligand approach. Based on nearly quantitative reaction yields and analysis of iron-oxygen bonds, these compounds were formulated as [Fe-III(acac)(3)][Fe-II(hfac)(2)] (1) and [Fe-II(hfac)(2)][Fe-III(acac)(3)][Fe-II(hfac)(2)] (2). In the above heteroleptic complexes, the Lewis acidic, coordinatively unsaturated Fe-II centers chelated by two hfac (hexafluoroacetylacetonate) ligands with electron-withdrawing substituents maintain bridging interactions with oxygen atoms of electron-donating acac (acetylacetonate) groups that chelate the neighboring Fe-III atoms. Switching the ligands on Fe-III and Fe-II atoms in starting reagents resulted in the instant ligand exchange between iron centers and in yet another polynuclear homometallic diketonate [Fe-II(hfac)(2)][Fe-III(acac)(2)(hfac)][Fe-II(hfac)(2)] (3) that adheres to the same bonding pattern as in complexes 1 and 2. The proposed synthetic methodology has been extended to design heterometallic diketonates with different M : M' ratios. Homometallic parent molecules have been used as templates to obtain heterometallic mixed-valent [Fe-III(acac)(3)][Mn-II(hfac)(2)] (4) and [Ni-II(hfac)(2)] – [Fe-III(acac)(3)][Ni-II(hfac)(2)] (5) complexes. The combination of two different diketonate ligands with electron-donating and electron-withdrawing substituents was found to be crucial for maintaining the above mixed-valent heterometallic assemblies. Theoretical investigation of two possible “isomers”, [Fe-III(acac)(3)][Mn-II(hfac)(2)] (4) and [Mn-III(acac)(3)][Fe-II(hfac)(2)] (40) provided an additional support for the metal site assignment giving a preference of 9.78 kcal mol(-1) for the molecule 4. Heterometallic complexes obtained in the course of this study have been found to act as effective single-source precursors for the synthesis of mixed-transition metal oxide materials MxM2-xO3 and MxMi-xO. The title highly volatile precursors can be used for the low-temperature preparation of both amorphous and crystalline heterometallic oxides in the form of thin films or nanosized particles that are known to operate as efficient catalysts in oxygen evolution reaction. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
Royal Society of Chemistry |
Place of Publication |
Cambridge |
Editor |
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Language |
|
Wos |
000353223100021 |
Publication Date |
2015-02-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2041-6520;2041-6539; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.668 |
Times cited |
13 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 8.668; 2015 IF: 9.211 |
Call Number |
c:irua:126031 |
Serial |
2092 |
Permanent link to this record |
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Author |
Veldeman, E.; Van 't dack, L.; Gijbels, R.; Pentcheva, E. |
Title |
Sulfur species and associated trace elements in south-west Bulgarian thermal waters |
Type |
A1 Journal article |
Year |
1991 |
Publication |
Applied geochemistry |
Abbreviated Journal |
Appl Geochem |
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
6 |
Issue |
|
Pages |
49-62 |
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 |
Oxford |
Editor |
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Language |
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Wos |
A1991EU47000004 |
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 |
|
Edition |
|
ISSN |
0883-2927 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.268 |
Times cited |
7 |
Open Access |
|
Notes |
|
Approved |
PHYSICS, APPLIED 28/145 Q1 # |
Call Number |
UA @ lucian @ c:irua:706 |
Serial |
3348 |
Permanent link to this record |
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Author |
Heyne, M.H.; de Marneffe, J.-F.; Nuytten, T.; Meersschaut, J.; Conard, T.; Caymax, M.; Radu, I.; Delabie, A.; Neyts, E.C.; De Gendt, S. |
Title |
The conversion mechanism of amorphous silicon to stoichiometric WS2 |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Journal of materials chemistry C : materials for optical and electronic devices |
Abbreviated Journal |
J Mater Chem C |
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
6 |
Issue |
15 |
Pages |
4122-4130 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The deposition of ultra-thin tungsten films and their related 2D chalcogen compounds on large area dielectric substrates by gas phase reactions is challenging. The lack of nucleation sites complicates the adsorption of W-related precursors and subsequent sulfurization usually requires high temperatures. We propose here a technique in which a thin solid amorphous silicon film is used as reductant for the gas phase precursor WF6 leading to the conversion to metallic W. The selectivity of the W conversion towards the underlying dielectric surfaces is demonstrated. The role of the Si surface preparation, the conversion temperature, and Si thickness on the formation process is investigated. Further, the in situ conversion of the metallic tungsten into thin stoichiometric WS2 is achieved by a cyclic approach based on WF6 and H2S pulses at the moderate temperature of 450 1C, which is much lower than usual oxide sulfurization processes. |
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 |
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Language |
|
Wos |
000430538000036 |
Publication Date |
2018-03-20 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2050-7526 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.256 |
Times cited |
4 |
Open Access |
OpenAccess |
Notes |
This work was supported throughout a strategic fundamental research grant for M. H. by the agency Flanders innovation & entrepreneurship (VLAIO). |
Approved |
Most recent IF: 5.256 |
Call Number |
PLASMANT @ plasmant @c:irua:150968 |
Serial |
4921 |
Permanent link to this record |
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Author |
Aierken, Y.; Sevik, C.; Gulseren, O.; Peeters, F.M.; Çakir, D. |
Title |
MXenes/graphene heterostructures for Li battery applications : a first principles study |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Journal of materials chemistry A : materials for energy and sustainability |
Abbreviated Journal |
J Mater Chem A |
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
6 |
Issue |
5 |
Pages |
2337-2345 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
MXenes are the newest class of two-dimensional (2D) materials, and they offer great potential in a wide range of applications including electronic devices, sensors, and thermoelectric and energy storage materials. In this work, we combined the outstanding electrical conductivity, that is essential for battery applications, of graphene with MXene monolayers (M2CX2 where M = Sc, Ti, V and X = OH, O) to explore its potential in Li battery applications. Through first principles calculations, we determined the stable stacking configurations of M2CX2/graphene bilayer heterostructures and their Li atom intercalation by calculating the Li binding energy, diffusion barrier and voltage. We found that: (1) for the ground state stacking, the interlayer binding is strong, yet the interlayer friction is small; (2) Li binds more strongly to the O-terminated monolayer, bilayer and heterostructure MXene systems when compared with the OHterminated MXenes due to the H+ induced repulsion to the Li atoms. The binding energy of Li decreases as the Li concentration increases due to enhanced repulsive interaction between the positively charged Li ions; (3) Ti2CO2/graphene and V2CO2/graphene heterostructures exhibit large Li atom binding energies making them the most promising candidates for battery applications. When fully loaded with Li atoms, the binding energy is -1.43 eV per Li atom and -1.78 eV per Li atom for Ti2CO2/graphene and V2CO2/graphene, respectively. These two heterostructures exhibit a nice compromise between storage capacity and kinetics. For example, the diffusion barrier of Li in Ti2CO2/graphene is around 0.3 eV which is comparable to that of graphite. Additionally, the calculated average voltages are 1.49 V and 1.93 V for Ti2CO2/graphene and V2CO2/graphene structures, respectively; (4) a small change in the in-plane lattice parameters (<1%), interatomic bond lengths and interlayer distances (<0.5 angstrom) proves the stability of the heterostructures against Li intercalation, and the impending phase separation into constituent layers and capacity fading during charge-discharge cycles in real battery applications; (5) as compared to bare M2CX2 bilayers, M2CX2/graphene heterostructures have lower molecular mass, offering high storage capacity; (6) the presence of graphene ensures good electrical conductivity that is essential for battery applications. Given these advantages, Ti2CO2/graphene and V2CO2/graphene heterostructures are predicted to be promising for lithium-ion battery applications. |
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 |
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Language |
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Wos |
000423981200049 |
Publication Date |
2018-01-02 |
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 |
2050-7488; 2050-7496 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.867 |
Times cited |
131 |
Open Access |
|
Notes |
; This work was supported by the bilateral project between the Scientific and Technological Research Council of Turkey (TUBITAK) and FWO-Flanders, Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by the TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRGrid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. We acknowledge the support from the TUBITAK (Grant No. 115F024 and 116F080). Part of this work was supported by the BAGEP Award of the Science Academy. ; |
Approved |
Most recent IF: 8.867 |
Call Number |
UA @ lucian @ c:irua:149265UA @ admin @ c:irua:149265 |
Serial |
4945 |
Permanent link to this record |
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Author |
Iyikanat, F.; Yagmurcukardes, M.; Senger, R.T.; Sahin, H. |
Title |
Tuning electronic and magnetic properties of monolayer \alpha-RuCl3 by in-plane strain |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Journal of materials chemistry C : materials for optical and electronic devices |
Abbreviated Journal |
J Mater Chem C |
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
6 |
Issue |
8 |
Pages |
2019-2025 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
By employing density functional theory-based methods, the structural, vibrational, electronic, and magnetic properties of monolayer -RuCl3 were investigated. It was demonstrated that ferromagnetic (FM) and zigzag-antiferromagnetic (ZZ-AFM) spin orders in the material have very close total energies with the latter being the ground state. We found that each Ru atom possesses a magnetic moment of 0.9 (B) and the material exhibits strong magnetic anisotropy. While both phases exhibit indirect gaps, the FM phase is a magnetic semiconductor and the ZZ-AFM phase is a non-magnetic semiconductor. The structural stability of the material was confirmed by phonon calculations. Moreover, dynamical analysis revealed that the magnetic order in the material can be monitored via Raman measurements of the crystal structure. In addition, the magnetic ground state of the material changes from ZZ-AFM to FM upon certain applied strains. Valence and conduction band-edges of the material vary considerably under in-plane strains. Owing to the stable lattice structure and unique and controllable magnetic properties, monolayer -RuCl3 is a promising material in nanoscale device applications. |
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 |
000426483800015 |
Publication Date |
2018-01-22 |
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 |
2050-7526; 2050-7534 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.256 |
Times cited |
16 |
Open Access |
|
Notes |
; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. S. acknowledges financial support from TUBITAK under project number 116C073. H. S. also acknowledges support from Bilim Akademisi-The Science Academy, Turkey, under the BAGEP program. ; |
Approved |
Most recent IF: 5.256 |
Call Number |
UA @ lucian @ c:irua:149900UA @ admin @ c:irua:149900 |
Serial |
4952 |
Permanent link to this record |
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Author |
Volykhov, A.A.; Sanchez-Barriga, J.; Batuk, M.; Callaert, C.; Hadermann, J.; Sirotina, A.P.; Neudachina, V.S.; Belova, A.I.; Vladimirova, N.V.; Tamm, M.E.; Khmelevsky, N.O.; Escudero, C.; Perez-Dieste, V.; Knop-Gericke, A.; Yashina, L.V. |
Title |
Can surface reactivity of mixed crystals be predicted from their counterparts? A case study of (Bi1-xSbx)2Te3 topological insulators |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Journal of materials chemistry C : materials for optical and electronic devices |
Abbreviated Journal |
J Mater Chem C |
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
6 |
Issue |
33 |
Pages |
8941-8949 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The behavior of ternary mixed crystals or solid solutions and its correlation with the properties of their binary constituents is of fundamental interest. Due to their unique potential for application in future information technology, mixed crystals of topological insulators with the spin-locked, gapless states on their surfaces attract huge attention of physicists, chemists and material scientists. (Bi1-xSbx)(2)Te-3 solid solutions are among the best candidates for spintronic applications since the bulk carrier concentration can be tuned by varying x to obtain truly bulk-insulating samples, where the topological surface states largely contribute to the transport and the realization of the surface quantum Hall effect. As this ternary compound will be evidently used in the form of thin-film devices its chemical stability is an important practical issue. Based on the atomic resolution HAADF-TEM and EDX data together with the XPS results obtained both ex situ and in situ, we propose an atomistic picture of the mixed crystal reactivity compared to that of its binary constituents. We find that the surface reactivity is determined by the probability of oxygen attack on the Te-Sb bonds, which is directly proportional to the number of Te atoms bonded to at least one Sb atom. The oxidation mechanism includes formation of an amorphous antimony oxide at the very surface due to Sb diffusion from the first two quintuple layers, electron tunneling from the Fermi level of the crystal to oxygen, oxygen ion diffusion to the crystal, and finally, slow Te oxidation to the +4 oxidation state. The oxide layer thickness is limited by the electron transport, and the overall process resembles the Cabrera-Mott mechanism in metals. These observations are critical not only for current understanding of the chemical reactivity of complex crystals, but also to improve the performance of future spintronic devices based on topological materials. |
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 |
000443279300007 |
Publication Date |
2018-07-20 |
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 |
|
Edition |
|
ISSN |
2050-7526; 2050-7534 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.256 |
Times cited |
3 |
Open Access |
Not_Open_Access |
Notes |
; The authors acknowledge financial support within the bilateral program "Russian-German Laboratory at BESSY II''. We thank Helmholtz-Zentrum Berlin for granting access to the beamlines RGBL, UE112-PGM2a and ISISS. Support of ALBA staff during measurements at the CIRCE beamline is gratefully acknowledged. We thank Dr Ivan Bobrikov for support in the XRD measurements and Daria Tsukanova for the participation in crystal preparation and XPS measurements. A. Volykhov thanks RSF (grant 18-73-00248) for financial support. A. I. Belova acknowledges support from the G-RISC Centre of Excellence. The work was supported by Helmholtz Gemeinschaft (Grant No. HRJRG-408) and RFBR (grant 14-03-31518). J. H. and C. C. acknowledge support from the University of Antwerp through the BOF grant 31445. ; |
Approved |
Most recent IF: 5.256 |
Call Number |
UA @ lucian @ c:irua:153647 |
Serial |
5080 |
Permanent link to this record |
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Author |
Wang, C.; Xin, X.; Shu, M.; Huang, S.; Zhang, Y.; Li, X. |
Title |
Scalable synthesis of one-dimensional Na2Li2Ti6O14 nanofibers as ultrahigh rate capability anodes for lithium-ion batteries |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Inorganic Chemistry Frontiers |
Abbreviated Journal |
Inorg Chem Front |
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
6 |
Issue |
3 |
Pages |
646-653 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Carbon anode materials for Li-ion batteries have been operated close to their theoretical rate and cycle limits. Therefore, titanium-based materials have attracted great attention due to their high stability. Here, Na2Li2Ti6O14 nanofibers as anode materials were prepared through a controlled electrospinning method. The Na2Li2Ti6O14 nanofibers presented superior electrochemical performance with high rate capability and long cycle life and can be regarded as a competitive anode candidate for advanced Li-ion batteries. One-dimensional (1D) Na2Li2Ti6O14 nanofibers are able to deliver a capacity of 128.5 mA h g(-1) at 0.5C, and demonstrate superior high-rate charge-discharge capability and cycling stability (the reversible charge capacity is 77.8 mA h g(-1) with a capacity retention of 99.45% at the rate of 10C after 800 cycles). The 1D structure is considered to contribute remarkably to increased rate capability and stability. This simple and scalable method indicates that the Na2Li2Ti6O14 nanofibers have a practical application potential for high performance lithium-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 |
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Editor |
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Language |
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Wos |
000461092500027 |
Publication Date |
2018-11-17 |
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 |
2052-1553 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.036 |
Times cited |
3 |
Open Access |
Not_Open_Access |
Notes |
; The authors acknowledge financial support from the National Natural Science Foundation of China (21571110), Natural Science Foundation of Zhejiang Province (LY18B010003), and the Ningbo Key Innovation Team (2014B81005), and sponsorship by the K.C. Wong Magna Fund in Ningbo University. ; |
Approved |
Most recent IF: 4.036 |
Call Number |
UA @ admin @ c:irua:158566 |
Serial |
5258 |
Permanent link to this record |
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Author |
De Wael, K.; Verstraete, A.; van Vlierberghe, S.; Dejonghe, W.; Dubruel, P.; Adriaens, A. |
Title |
The electrochemistry of a gelatin modified gold electrode |
Type |
A1 Journal article |
Year |
2011 |
Publication |
International journal of electrochemical science |
Abbreviated Journal |
Int J Electrochem Sc |
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
6 |
Issue |
6 |
Pages |
1810-1819 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
This paper discusses the electrochemical behaviour of gelatin coated gold electrodes in physiological pH conditions in a potential window −1.5 till 1.0 V vs SCE by performing cyclic voltammetry. A comparison is made between gelatin A and gelatin B, which have respectively a positive and a negative net charge at physiological pH. The deposition of gelatin onto the gold surface is confirmed by means of attenuated total reflection-infrared (ATR-IR) spectroscopic analyses. |
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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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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 |
1452-3981 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles |
Impact Factor |
1.469 |
Times cited |
|
Open Access |
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Notes |
; The authors would like to acknowledge the Flemish Institute for Technological Research (VITO, Belgium) and the Research Foundation-Flanders (FWO, Belgium) for the Ph.D. funding granted to Annelies Verstraete. Karolien De Wael and Sandra Van Vlierberghe are also grateful to the Research Foundation-Flanders (FWO, Belgium) for their postdoctoral fellowship. ; |
Approved |
Most recent IF: 1.469; 2011 IF: 3.729 |
Call Number |
UA @ admin @ c:irua:89617 |
Serial |
5598 |
Permanent link to this record |
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Author |
Janssens, K.; Alfeld, M.; van der Snickt, G.; de Nolf, W.; Vanmeert, F.; Radepont, M.; Monico, L.; et al. |
Title |
The use of synchrotron radiation for the characterization of artists' pigments and paintings |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Annual review of analytical chemistry |
Abbreviated Journal |
Annu Rev Anal Chem |
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
6 |
Issue |
|
Pages |
399-425 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
We review methods and recent studies in which macroscopic to (sub)microscopic X-ray beams were used for nondestructive analysis and characterization of pigments, paint microsamples, and/or entire paintings. We discuss the use of portable laboratory- and synchrotron-based instrumentation and describe several variants of X-ray fluorescence (XRF) analysis used for elemental analysis and imaging and combined with X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS). Macroscopic and microscopic (μ-)XRF variants of this method are suitable for visualizing the elemental distribution of key elements in paint multilayers. Technical innovations such as multielement, large-area XRF detectors have enabled such developments. The use of methods limited to elemental analysis or imaging usually is not sufficient to elucidate the chemical transformations that take place during natural pigment alteration processes. However, synchrotron-based combinations of μ-XRF, μ-XAS, and μ-XRD are suitable for such studies. |
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 |
000323887500019 |
Publication Date |
2013-06-18 |
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 |
1936-1327 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
7.435 |
Times cited |
46 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 7.435; 2013 IF: 7.814 |
Call Number |
UA @ admin @ c:irua:111315 |
Serial |
5902 |
Permanent link to this record |
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Author |
Van Grieken, R.; Speecke, A.; Hoste, J. |
Title |
Simultaneous determination of silicon and phosphorus in cast iron by 14 MeV neutron activation analysis |
Type |
A3 Journal article |
Year |
1970 |
Publication |
Journal of radioanalytical chemistry |
Abbreviated Journal |
|
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
6 |
Issue |
2 |
Pages |
385-398 |
Keywords |
A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
A fast (10 min), non-destructive simultaneous determination of silicon and phosphorus in cast iron and steel by 14 MeV neutron activation was developed. The 1.78 MeV28Al activity (T=2.24 min) induced by the reaction28Si(n, p)28Al is counted on a NaI(Tl) detector. Two measurements are made to correct for the 1.81 MeV56Mn activity (T=2.58 hr) from the iron matrix. However,28Al is also produced via31P(n, α)28Al. By (n, 2n) reaction, phosphorus yields also30P (T=2.6 min), the 0.511 MeV annihilation radiation of which is counted by two opposite NaI(Tl) detectors in coincidence. Again, two successive coincidence measurements are carried out in order to take into account the53Fe activity (β+; T=8.9 min) from54Fe(n, 2n)53Fe. The28Al measurement is appropriately corrected via the computed phosphorus content. An oxygen flux monitor was used to normalize to the same flux. Nuclear interferences have been examined. Special attention has been paid to the presence of copper. The standard deviation for phosphorus being as high as ca. 0.09% P for a single determination, this technique can only be practical as an independent phosphorus analysis for high phosphorus cast irons. The precision on the28Al measurement is 5% relative for 0.2% Si and 2.5% above 1% Si. |
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Place of Publication |
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Wos |
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Publication Date |
2006-10-11 |
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 |
0134-0719; 2064-2857 |
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:116450 |
Serial |
8528 |
Permanent link to this record |
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Author |
Van Aert, S. |
Title |
Atomen in 3D : Antwerpenaren brengen atomaire structuur nanodeeltjes in beeld |
Type |
Newspaper/Magazine/blog article |
Year |
2011 |
Publication |
Chemie magazine |
Abbreviated Journal |
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Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
7 |
Issue |
3 |
Pages |
9 |
Keywords |
Newspaper/Magazine/blog article; Electron microscopy for materials research (EMAT) |
Abstract |
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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 |
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 |
0379-7651 |
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 @ lucian @ c:irua:94122 |
Serial |
163 |
Permanent link to this record |
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Author |
Milat, O.; Van Tendeloo, G.; Amelinckx, S.; Wright, A.J.; Greaves, C. |
Title |
Effect of the substitution Ba\leftrightarrow Sr on the Ga-1222 superstructure : an electron diffraction study |
Type |
A1 Journal article |
Year |
1995 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
7 |
Issue |
9 |
Pages |
1709-1715 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The superstructure of the RE(2)(Sr0.85-xBaxNd0.15)(2)GaCU2O9 compound is found to change significantly with increasing substitution of Ba for Sr. Most of the changes take place in the (Sr0.85-xBaxNd0.15)O-GaO-(Sr0.85-xBaxNd0.15)O lamella, the rest of the basic structure being hardly affected. The structural changes for O less than or equal to x less than or equal to 0.65 are studied by electron diffraction. The arrangement of the chains of GaO4 tetrahedra in the Ba-free compound becomes disordered at x > 0.25. At x similar to 0.65 a rearrangement of the chains in the GaO layers takes place; they form a meandering arrangement, which can be described on a 4a(p) x 2a(p) x c(p) superlattice. This rearrangement is accompanied by ordering of Ba and Sr atoms in the adjacent (ST0.85-xBaxNd0.15)O layers. A simple scheme is proposed to explain the influence of the substitution of Ba for Sr on the linking of the GaO4 tetrahedra and on the geometry of the ''chains'' in the GaO layer. |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Wos |
A1995RW21200021 |
Publication Date |
2005-03-08 |
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 |
0897-4756;1520-5002; |
ISBN |
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Additional Links |
UA library record; WoS full record |
Impact Factor |
8.354 |
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:13326 |
Serial |
850 |
Permanent link to this record |
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Author |
Van 't dack, L.; Blommaert, W.; Vandelannoote, R.; Gijbels, R.; van Grieken, R. |
Title |
Equilibrium constants for trace elements in natural waters |
Type |
A1 Journal article |
Year |
1983 |
Publication |
Reviews in analytical chemistry |
Abbreviated Journal |
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Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
7 |
Issue |
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Pages |
297-401 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
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Address |
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Corporate Author |
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Publisher |
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Place of Publication |
Tel Aviv |
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 |
0048-752x |
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:111446 |
Serial |
1078 |
Permanent link to this record |
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Author |
Van der Paal, J.; Neyts, E.C.; Verlackt, C.C.W.; Bogaerts, A. |
Title |
Effect of lipid peroxidation on membrane permeability of cancer and normal cells subjected to oxidative stress |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Chemical science |
Abbreviated Journal |
Chem Sci |
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
7 |
Issue |
7 |
Pages |
489-498 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
We performed molecular dynamics simulations to investigate the effect of lipid peroxidation products on the structural and dynamic properties of the cell membrane. Our simulations predict that the lipid order in a phospholipid bilayer, as a model system for the cell membrane, decreases upon addition of lipid peroxidation products. Eventually, when all phospholipids are oxidized, pore formation can occur. This will allow reactive species, such as reactive oxygen and nitrogen species (RONS), to enter the cell and cause oxidative damage to intracellular macromolecules, such as DNA or proteins. On the other hand, upon increasing the cholesterol fraction of lipid bilayers, the cell membrane order increases, eventually reaching a certain threshold, from which cholesterol is able to protect the membrane against pore formation. This finding is crucial for cancer treatment by plasma technology, producing a large number of RONS, as well as for other cancer treatment methods that cause an increase in the concentration of extracellular RONS. Indeed, cancer cells contain less cholesterol than their healthy counterparts. Thus, they will be more vulnerable to the consequences of lipid peroxidation, eventually enabling the penetration of RONS into the interior of the cell, giving rise to oxidative stress, inducing pro-apoptotic factors. This provides, for the first time, molecular level insight why plasma can selectively treat cancer cells, while leaving their healthy counterparts undamaged, as is indeed experimentally demonstrated. |
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 |
000366826900058 |
Publication Date |
2015-10-16 |
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 |
2041-6520 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.668 |
Times cited |
106 |
Open Access |
|
Notes |
The authors acknowledge nancial support from the Fund for Scientic Research (FWO) Flanders, grant number G012413N. The calculations were performed in part using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the Universiteit Antwerpen. |
Approved |
Most recent IF: 8.668 |
Call Number |
c:irua:131058 |
Serial |
3986 |
Permanent link to this record |
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|
|
Author |
Bal, K.M.; Neyts, E.C. |
Title |
Direct observation of realistic-temperature fuel combustion mechanisms in atomistic simulations |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Chemical science |
Abbreviated Journal |
Chem Sci |
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
7 |
Issue |
7 |
Pages |
5280-5286 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Atomistic simulations can in principle provide an unbiased description of all mechanisms, intermediates, and products of complex chemical processes. However, due to the severe time scale limitation of conventional simulation techniques, unrealistically high simulation temperatures are usually applied, which are a poor approximation of most practically relevant low-temperature applications. In this work, we demonstrate the direct observation at the atomic scale of the pyrolysis and oxidation of n-dodecane at temperatures as low as 700 K through the use of a novel simulation technique, collective variable-driven hyperdynamics (CVHD). A simulated timescale of up to 39 seconds is reached. Product compositions and dominant mechanisms are found to be strongly temperature-dependent, and are consistent with experiments and kinetic models. These simulations provide a first atomic-level look at the full dynamics of the complicated fuel combustion process at industrially relevant temperatures and time scales, unattainable by conventional molecular dynamics simulations. |
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 |
000380893900059 |
Publication Date |
2016-05-05 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2041-6520 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.668 |
Times cited |
22 |
Open Access |
|
Notes |
K. M. B. is funded as PhD fellow (aspirant) of the FWO-Flanders (Fund for Scientic Research-Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), funded by the Hercules Foundation and the Flemish Government – department EWI. The authors would also like to thank S. Banerjee for assisting with the interpretation of the experimental results. |
Approved |
Most recent IF: 8.668 |
Call Number |
c:irua:134577 c:irua:135670 |
Serial |
4105 |
Permanent link to this record |
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|
|
Author |
Zhong, R.; Peng, L.; de Clippel, F.; Gommes, C.; Goderis, B.; Ke, X.; Van Tendeloo, G.; Jacobs, P.A.; Sels, B.F. |
Title |
An eco-friendly soft template synthesis of mesostructured silica-carbon nanocomposites for acid catalysis |
Type |
A1 Journal article |
Year |
2015 |
Publication |
ChemCatChem |
Abbreviated Journal |
Chemcatchem |
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
7 |
Issue |
7 |
Pages |
3047-3058 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The synthesis of ordered mesoporous silica-carbon composites was explored by employing TEOS and sucrose as the silica and carbon precursor respectively, and the triblock copolymer F127 as a structure-directing agent via an evaporation-induced self-assembly (EISA) process. It is demonstrated that the synthesis procedures allow for control of the textural properties and final composition of these silica-carbon nanocomposites via adjustment of the effective SiO2/C weight ratio. Characterization by SAXS, N-2 physisorption, HRTEM, TGA, and C-13 and Si-29 solid-state MAS NMR show a 2D hexagonal mesostructure with uniform large pore size ranging from 5.2 to 7.6nm, comprising of separate carbon phases in a continuous silica phase. Ordered mesoporous silica and non-ordered porous carbon can be obtained by combustion of the pyrolyzed nanocomposites in air or etching with HF solution, respectively. Sulfonic acid groups can be readily introduced to such kind of silica-carbon nanocomposites by a standard sulfonation procedure with concentrated sulfuric acid. Excellent acid-catalytic activities and selectivities for the dimerization of styrene to produce 1,3-diphenyl-1-butene and dimerization of -methylstyrene to unsaturated dimers were demonstrated with the sulfonated materials. |
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 |
000361189400037 |
Publication Date |
2015-09-03 |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1867-3880; 1867-3899 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.803 |
Times cited |
13 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 4.803; 2015 IF: 4.556 |
Call Number |
UA @ lucian @ c:irua:127836 |
Serial |
4138 |
Permanent link to this record |
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|
Author |
Berends, A.C.; Rabouw, F.T.; Spoor, F.C.M.; Bladt, E.; Grozema, F.C.; Houtepen, A.J.; Siebbeles, L.D.A.; de Donega, C.M. |
Title |
Radiative and nonradiative recombination in CuInS2 nanocrystals and CuInS2-based core/shell nanocrystals |
Type |
A1 Journal article |
Year |
2016 |
Publication |
The journal of physical chemistry letters |
Abbreviated Journal |
J Phys Chem Lett |
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
7 |
Issue |
7 |
Pages |
3503-3509 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Luminescent copper indium sulfide (CIS) nanocrystals are a potential solution to the toxicity issues associated with Cd- and Pb-based nanocrystals. However, the development of high-quality CIS nanocrystals has been complicated by insufficient knowledge of the electronic structure and of the factors that lead to luminescence quenching. Here we investigate the exciton decay pathways in CIS nanocrystals using time resolved photoluminescence and transient absorption spectroscopy. Core-only CIS nanocrystals with low quantum yield are compared to core/shell nanocrystals (CIS/ZnS and CIS/CdS) with higher quantum yield. Our measurements support the model of photoluminescence by radiative recombination of a conduction band electron with a localized hole. Moreover, we find that photoluminescence quenching in low-quantum-yield nanocrystals involves initially uncoupled decay pathways for the electron and hole. The electron decay pathway determines whether the exciton recombines radiatively or nonradiatively. The development of high-quality CIS nanocrystals should therefore focus on the elimination of electron traps. |
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
American Chemical Society |
Place of Publication |
Washington, D.C |
Editor |
|
Language |
|
Wos |
000382603300037 |
Publication Date |
2016-08-23 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1948-7185 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.353 |
Times cited |
67 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 9.353 |
Call Number |
UA @ lucian @ c:irua:135715 |
Serial |
4308 |
Permanent link to this record |
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|
Author |
Queralto, A.; Graf, D.; Frohnhoven, R.; Fischer, T.; Vanrompay, H.; Bals, S.; Bartasyte, A.; Mathur, S. |
Title |
LaFeO3 nanofibers for high detection of sulfur-containing gases |
Type |
A1 Journal article |
Year |
2019 |
Publication |
ACS Sustainable Chemistry and Engineering |
Abbreviated Journal |
Acs Sustain Chem Eng |
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
7 |
Issue |
7 |
Pages |
6023-6032 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Lanthanum ferrite nanofibers were electrospun from a chemical sol and calcined at 600 degrees C to obtain singlephase LaFeO3 (LFO) perovskite. High-resolution transmission electron microscopy in conjunction with 3D tomographic analysis confirmed an interwoven network of hollow and porous (surface) LFO nanofibers. Owing to their high surface area and p-type behavior, the nanofiber meshes showed high chemoselectivity toward reducing toxic gases (SO2, H2S) that could be reproducibly detected at very low concentrations (<1 ppm), well below the threshold values for occupational safety and health. An increased sensitivity was observed in the temperature range of 150-300 degrees C with maximum sensor response at 250 degrees C. The surface reaction at the heterogeneous solid (LFO)/gas (SO2) interface that confirmed the formation of La-2(SO4)(3) was investigated by X-ray photoelectron spectroscopy. Moreover, the LFO fibers showed a high selectivity in the detection of oxidizing and reducing gases. Whereas superior detection of NH3 and H2S was measured, little response was observed for CO and NO2. Finally, the integration of nanowire meshes in commercial sensor platforms was successfully demonstrated. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
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Editor |
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Language |
|
Wos |
000461978200047 |
Publication Date |
2019-02-21 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2168-0485 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.951 |
Times cited |
41 |
Open Access |
OpenAccess |
Notes |
; The authors kindly acknowledge the ERA.Net RUS Plus project FONSENS funded by the German Federal Ministry of Education and Research (BMBF) under the grant no. 01DJ16017. A.Q. highly appreciates the support of the Alexander von Humboldt Foundation (grant no. AVH 1184642) and the BMBF for his postdoctoral fellowship. A.Q., D.G., R.F., T.F., and S.M. also kindly acknowledge the financial support of the University of Cologne. H.V. acknowledges financial support by the Research Foundation Flanders (FWO grant 1S32617N). S.B. acknowledges financial support from European Research Council (ERC Starting Grant #335078-COLOURATOMS). We also express our gratitude to Prof. Dr. J. Hadermann from the Electron Microscopy for Materials Science group at the University of Antwerp for her assistance. A.B. is grateful for the EUR EIPHI program (grant no. ANR-17-EURE-0002). ; |
Approved |
Most recent IF: 5.951 |
Call Number |
UA @ admin @ c:irua:158535 |
Serial |
5263 |
Permanent link to this record |
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Author |
Tan, X.; McCabe, E.E.; Orlandi, F.; Manuel, P.; Batuk, M.; Hadermann, J.; Deng, Z.; Jin, C.; Nowik, I.; Herber, R.; Segre, C.U.; Liu, S.; Croft, M.; Kang, C.-J.; Lapidus, S.; Frank, C.E.; Padmanabhan, H.; Gopalan, V.; Wu, M.; Li, M.-R.; Kotliar, G.; Walker, D.; Greenblatt, M. |
Title |
MnFe0.5Ru0.5O3 : an above-room-temperature antiferromagnetic semiconductor |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Journal of materials chemistry C : materials for optical and electronic devices |
Abbreviated Journal |
J Mater Chem C |
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
7 |
Issue |
3 |
Pages |
509-522 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A transition-metal-only MnFe0.5Ru0.5O3 polycrystalline oxide was prepared by a reaction of starting materials MnO, MnO2, Fe2O3, RuO2 at 6 GPa and 1873 K for 30 minutes. A combination of X-ray and neutron powder diffraction refinements indicated that MnFe0.5Ru0.5O3 adopts the corundum (alpha-Fe2O3) structure type with space group R (3) over barc, in which all metal ions are disordered. The centrosymmetric nature of the MnFe0.5Ru0.5O3 structure is corroborated by transmission electron microscopy, lack of optical second harmonic generation, X-ray absorption near edge spectroscopy, and Mossbauer spectroscopy. X-ray absorption near edge spectroscopy of MnFe0.5Ru0.5O3 showed the oxidation states of Mn, Fe, and Ru to be 2+/3+, 3+, and similar to 4+, respectively. Resistivity measurements revealed that MnFe0.5Ru0.5O3 is a semiconductor. Magnetic measurements and magnetic structure refinements indicated that MnFe0.5Ru0.5O3 orders antiferromagnetically around 400 K, with magnetic moments slightly canted away from the c axis. Fe-57 Mossbauer confirmed the magnetic ordering and Fe3+ (S = 5/2) magnetic hyperfine splitting. First principles calculations are provided to understand the electronic structure more thoroughly. A comparison of synthesis and properties of MnFe0.5Ru0.5O3 and related corundum Mn2BB'O-6 derivatives is 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 |
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Editor |
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Language |
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Wos |
000458780300004 |
Publication Date |
2018-11-27 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
ISSN |
2050-7526; 2050-7534 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.256 |
Times cited |
1 |
Open Access |
Not_Open_Access |
Notes |
; M. G. thanks the NSF-DMR-1507252 grant of the United States. X. T. was supported by the “Center for Computational Design of Functional Strongly Correlated Materials and Theoretical Spectroscopy'' under DOE Grant No. DE-FOA-0001276. G. K. and C. J. K. were supported by the Air Force Office of Scientific Research. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. EEM is grateful to the Leverhulme Trust (RPG-2017-362). M. R. Li and M. X. Wu are supported by the ”One Thousand Youth Talents'' Program of China. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. Part of this research used the ISS, 8-ID and TES, 8-BM beamlines at the National Synchrotron Light Source II (NSLS-II), a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Brookhaven National Laboratory under Contract No. DE-SC0012704. Without the valuable aid/support of the NSLS-II staff scientists Eli Stavitski, Klaus Attenkofer, and Paul Northrup this phase of the work could not have been performed. The work at IOPCAS was supported by NSF & MOST of China through research projects. H. R. and V. G. acknowledge NSF-MRSEC Center for Nanoscale Science at Penn State through the grant number DMR-1420620. The authors would like to thank Ms Jean Hanley at Lamont-Doherty Earth Observatory in Columbia University for making the high-pressure assemblies. The authors acknowledge the science and technology facility council (STFC) UK for the provision of neutron beam time. The authors would like to thank Daniel Nye for help on the Rigaku SmartLab X-ray diffractometer instrument in the Materials Characterization Laboratory at the ISIS Neutron and Muon Source. ; |
Approved |
Most recent IF: 5.256 |
Call Number |
UA @ admin @ c:irua:157564 |
Serial |
5264 |
Permanent link to this record |
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|
Author |
Janssens, K.; van Espen, P. |
Title |
A general-purpose interface between fortran and the low-level functions of the ibm-pc |
Type |
A1 Journal article |
Year |
1988 |
Publication |
Trends in analytical chemistry |
Abbreviated Journal |
|
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
7 |
Issue |
4 |
Pages |
128-130 |
Keywords |
A1 Journal article; 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 |
A1988M999800003 |
Publication Date |
2002-07-25 |
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 |
0165-9936 |
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:149778 |
Serial |
5450 |
Permanent link to this record |
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Author |
Pilehvar, S.; Dardenne, F.; Blust, R.; De Wael, K. |
Title |
Electrochemical sensing of phenicol antibiotics at gold |
Type |
A1 Journal article |
Year |
2012 |
Publication |
International journal of electrochemical science |
Abbreviated Journal |
Int J Electrochem Sc |
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
7 |
Issue |
6 |
Pages |
5000-5011 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Phenicols are an effective and a broad spectrum class of antibiotics which has lost favour due to their side effects on human health. A rapid and sensitive electrochemical detection system is developed for the simultaneous detection of chloramphenicol (CAP), thiamphenicol (TAP) and florfenicol (FF). The electrochemical behaviour of CAP in the presence of its derivatives was investigated by cyclic voltammetry (CV) and square wave voltammetry (SWV). At a gold electrode, CAP gives rise to a sensitive cathodic peak at −0.68V (versus SCE) in a tris buffer solution (pH 7.6). This behavior gives us the opportunity to introduce a method for sensing CAP electrochemically in the presence of its derivatives. Calibration graphs were linear in the 2.5-7.4 μmol L-1 concentration range. Deviations from linearity were observed for higher concentrations and this was interpreted to be due to kinetic limitation caused by the saturation of CAP and its reduction products onto the gold electrode surface. A limit of detection of 1 μmol L-1 was found. |
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 |
|
ISSN |
1452-3981 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.469 |
Times cited |
|
Open Access |
|
Notes |
; ; |
Approved |
Most recent IF: 1.469; 2012 IF: NA |
Call Number |
UA @ admin @ c:irua:98344 |
Serial |
5595 |
Permanent link to this record |
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Author |
Blondiaux, E.; Bomon, J.; Smolen, M.; Kaval, N.; Lemière, F.; Sergeyev, S.; Diels, L.; Sels, B.; Maes, B.U.W. |
Title |
Bio-based aromatic amines from lignin-derived monomers |
Type |
A1 Journal article |
Year |
2019 |
Publication |
ACS Sustainable Chemistry and Engineering |
Abbreviated Journal |
|
Volume ![sorted by Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
7 |
Issue |
7 |
Pages |
6906-6916 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Organic synthesis (ORSY); Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
A new approach to synthesize valuable 3,4-dialkoxyanilines and alkyl propionates from lignin-derived 4-propylguaiacol and -catechol with overall isolated yields up to 65% has been described. The strategy is based on the introduction of nitrogen via a Beckmann rearrangement. Amino introduction therefore coincides with a C-defunctionalization reaction; overall a replacement of the propyl chain by an amino group is obtained. The process only requires cheap bulk chemicals as reagents/reactants and does not involve column chromatography to purify the reaction products. Furthermore, all carbon atoms from the biorenewable lignin-derived monomers are transformed into valuable compounds. Greenness was assessed by performing a Green Metrics analysis on two dialkoxyanilines. A comparison was made with literature routes for these compounds starting from a petrochemical substrate. |
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 |
000463462100050 |
Publication Date |
2019-02-14 |
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 |
2168-0485 |
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:159378 |
Serial |
7556 |
Permanent link to this record |