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Author |
Bal, K.M.; Neyts, E.C. |
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Title |
Extending and validating bubble nucleation rate predictions in a Lennard-Jones fluid with enhanced sampling methods and transition state theory |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Journal Of Chemical Physics |
Abbreviated Journal |
J Chem Phys |
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Volume |
157 |
Issue |
18 |
Pages |
184113-10 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We calculate bubble nucleation rates in a Lennard-Jones fluid through explicit molecular dynamics simulations. Our approach-based on a recent free energy method (dubbed reweighted Jarzynski sampling), transition state theory, and a simple recrossing correction-allows us to probe a fairly wide range of rates in several superheated and cavitation regimes in a consistent manner. Rate predictions from this approach bridge disparate independent literature studies on the same model system. As such, we find that rate predictions based on classical nucleation theory, direct brute force molecular dynamics simulations, and seeding are consistent with our approach and one another. Published rates derived from forward flux sampling simulations are, however, found to be outliers. This study serves two purposes: First, we validate the reliability of common modeling techniques and extrapolation approaches on a paradigmatic problem in materials science and chemical physics. Second, we further test our highly generic recipe for rate calculations, and establish its applicability to nucleation processes. |
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Wos |
000885260600002 |
Publication Date |
2022-11-14 |
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Series Issue |
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Edition |
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ISSN |
0021-9606 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.4 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.4 |
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Call Number |
UA @ admin @ c:irua:192076 |
Serial |
7266 |
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Permanent link to this record |
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Author |
Potgieter-Vermaak, S.S.; Potgieter, J.H.; Kruger, R.A.; Spolnik, Z.; Van Grieken, R. |
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Title |
A characterisation of the surface properties of an ultra fine fly ash (UFFA) used in the polymer industry |
Type |
A1 Journal article |
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Year |
2005 |
Publication |
Fuel |
Abbreviated Journal |
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Volume |
84 |
Issue |
18 |
Pages |
2295-2300 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Wos |
000233053100002 |
Publication Date |
2005-06-28 |
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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 |
0016-2361 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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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 |
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Call Number |
UA @ admin @ c:irua:54564 |
Serial |
7603 |
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Permanent link to this record |
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Author |
Nikolova, I.; Janssen, S.; Vrancken, K.; Vos, P.; Mishra, V.; Berghmans, P. |
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Title |
Size resolved ultrafine particles emission model : a continues size distribution approach |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
The science of the total environment |
Abbreviated Journal |
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Volume |
409 |
Issue |
18 |
Pages |
3492-3499 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
A new parameterization for size resolved ultrafine particles (UFP) traffic emissions is proposed based on the results of PARTICULATES project (Samaras et al., 2005). It includes the emission factors from the Emission Inventory Guidebook (2006) (total number of particles, #/km/veh), the shape of the corresponding particle size distribution given in PARTICULATES and data for the traffic activity. The output of the model UFPEM (UltraFine Particle Emission Model) is a sum of continuous distributions of ultrafine particles emissions per vehicle type (passenger cars and heavy duty vehicles), fuel (petrol and diesel) and average speed representative for urban, rural and highway driving. The results from the parameterization are compared with measured total number of ultrafine particles and size distributions in a tunnel in Antwerp (Belgium). The measured UFP concentration over the entire campaign shows a close relation to the traffic activity. The modelled concentration is found to be lower than the measured in the campaign. The average emission factor from the measurement is 4.29E + 14 #/km/veh whereas the calculated is around 30% lower. A comparison of emission factors with literature is done as well and in overall a good agreement is found. For the size distributions it is found that the measured distributions consist of three modes Nucleation, Aitken and accumulation and most of the ultrafine particles belong to the Nucleation and the Aitken modes. The modelled Aitken mode (peak around 0.040.05 μm) is found in a good agreement both as amplitude of the peak and the number of particles whereas the modelled Nucleation mode is shifted to smaller diameters and the peak is much lower that the observed. Time scale analysis shows that at 300 m in the tunnel coagulation and deposition are slow and therefore neglected. The UFPEM emission model can be used as a source term in dispersion models. |
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Wos |
000293260100026 |
Publication Date |
2011-06-19 |
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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 |
0048-9697; 1879-1026 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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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 |
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Call Number |
UA @ admin @ c:irua:91949 |
Serial |
8546 |
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Permanent link to this record |
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Author |
Tarakanova, E.N.; Tarakanov, P.A.; Simakov, A.O.; Furuyama, T.; Kobayashi, N.; Konev, D.V.; Goncharova, O.A.; Trashin, S.A.; De Wael, K.; Sulimenkov, I.V.; Filatov, V.V.; Kozlovskiy, V.I.; Tomilova, L.G.; Stuzhin, P.A.; Pushkarev, V.E. |
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Title |
Synthesis and characterization of heteroleptic rare earth double-decker complexes involving tetradiazepinoporphyrazine and phthalocyanine macrocycles |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Dalton Transactions |
Abbreviated Journal |
Dalton T |
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Volume |
50 |
Issue |
18 |
Pages |
6245-6255 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Reaction of (2,3,9,10,16,17,23,24-octabutylphthalocyaninato)lanthanide(iii) acetylacetonates ((Bu)PcLn(acac), 1a-c, Ln = Lu (a), Eu (b), La (c)) with a tetrakis(5,7-bis(4-tert-butylphenyl)-6H-1,4-diazepino)[2,3-b,g,l,q]porphyrazine ligand ((tBuPh)DzPzH(2), 2) produced sandwich compounds ((tBuPh)DzPz)Ln(Pc-Bu) (3a-c), which represent the first heteroleptic double-deckers incorporating both Pc and DzPz decks. A combination of high-resolution mass spectrometry, UV-Vis/NIR, MCD, and H-1 NMR spectroscopy, and square-wave voltammetry provided unambiguous characterization of target complexes 3 indicating that their spectral and electrochemical properties are generally intermediate with respect to their homoleptic relatives. Based on the data of solution-state H-1-H-1 NMR (COSY, NOESY) correlation spectroscopy supported by DFT calculations, a dimerization tendency of compounds 3 proportional to the Ln(iii) ion size was found. The spectroelectrochemical study of 3 and the corresponding homoleptic double-deckers revealed a pronounced tendency to aggregation of the one-electron oxidized forms of DzPz-containing double-decker complexes compared to homoleptic Pc(2)Ln compounds. |
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Wos |
000641283000001 |
Publication Date |
2021-04-01 |
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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 |
1477-9226; 1477-9234 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.029 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 4.029 |
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Call Number |
UA @ admin @ c:irua:178289 |
Serial |
8636 |
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Permanent link to this record |
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Author |
Sarikurt, S.; Çakir, D.; Keceli, M.; Sevik, C. |
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Title |
The influence of surface functionalization on thermal transport and thermoelectric properties of MXene monolayers |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Nanoscale |
Abbreviated Journal |
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Volume |
10 |
Issue |
18 |
Pages |
8859-8868 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
The newest members of a two-dimensional material family, involving transition metal carbides and nitrides (called MXenes), have garnered increasing attention due to their tunable electronic and thermal properties depending on the chemical composition and functionalization. This flexibility can be exploited to fabricate efficient electrochemical energy storage (batteries) and energy conversion (thermoelectric) devices. In this study, we calculated the Seebeck coefficients and lattice thermal conductivity values of oxygen terminated M2CO2 (where M = Ti, Zr, Hf, Sc) monolayer MXene crystals in two different functionalization configurations (model-II (MD-II) and model-III (MD-III)), using density functional theory and Boltzmann transport theory. We estimated the thermoelectric figure-of-merit, zT, of these materials by two different approaches, as well. First of all, we found that the structural model (i.e. adsorption site of oxygen atom on the surface of MXene) has a paramount impact on the electronic and thermoelectric properties of MXene crystals, which can be exploited to engineer the thermoelectric properties of these materials. The lattice thermal conductivity kappa(l), Seebeck coefficient and zT values may vary by 40% depending on the structural model. The MD-III configuration always has the larger band gap, Seebeck coefficient and zT, and smaller kappa(l) as compared to the MD-II structure due to a larger band gap, highly flat valence band and reduced crystal symmetry in the former. The MD-III configuration of Ti2CO2 and Zr2CO2 has the lowest kappa(l) as compared to the same configuration of Hf2CO2 and Sc2CO2. Among all the considered structures, the MD-II configuration of Hf2CO2 has the highest kappa(l), and Ti2CO2 and Zr2CO2 in the MD-III configuration have the lowest kappa(l). For instance, while the band gap of the MD-II configuration of Ti2CO2 is 0.26 eV, it becomes 0.69 eV in MD-III. The zT(max) value may reach up to 1.1 depending on the structural model of MXene. |
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Wos |
000432096400055 |
Publication Date |
2018-04-06 |
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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 |
2040-3364; 2040-3372 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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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 |
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Call Number |
UA @ admin @ c:irua:193788 |
Serial |
8654 |
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Permanent link to this record |
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Author |
de Hoog, J.; Osán, J.; Szalóki, I.; Eyckmans, K.; Worobiec, A.; Ro, C.-U.; Van Grieken, R. |
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Title |
Thin-window electron probe X-ray microanalysis of individual atmospheric particles above the North Sea |
Type |
A1 Journal article |
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Year |
2005 |
Publication |
Atmospheric environment : an international journal |
Abbreviated Journal |
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Volume |
39 |
Issue |
18 |
Pages |
3231-3242 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP) |
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Abstract |
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Place of Publication |
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Wos |
000230125000005 |
Publication Date |
2005-04-16 |
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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 |
1352-2310 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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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 |
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Call Number |
UA @ admin @ c:irua:53443 |
Serial |
8668 |
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Permanent link to this record |
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Author |
Van Grieken, R.; Potgieter-Vermaak, S.; Darchuk, L.; Worobiec, A. |
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Title |
X ray fluorescence in member states: Belgium: integration of analysis techniques of different scales using X ray induced and electron induced X ray spectrometry for applications in preventive conservation and environmental monitoring |
Type |
A3 Journal article |
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Year |
2009 |
Publication |
XRF newsletter |
Abbreviated Journal |
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Volume |
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Issue |
18 |
Pages |
9-13 |
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Keywords |
A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP) |
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Additional Links |
UA library record |
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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 |
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Call Number |
UA @ admin @ c:irua:81898 |
Serial |
8766 |
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Permanent link to this record |
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Author |
Zhou, R.; Neek-Amal, M.; Peeters, F.M.; Bai, B.; Sun, C. |
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Title |
Interlink between Abnormal Water Imbibition in Hydrophilic and Rapid Flow in Hydrophobic Nanochannels |
Type |
A1 Journal Article |
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Year |
2024 |
Publication |
Physical Review Letters |
Abbreviated Journal |
Phys. Rev. Lett. |
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Volume |
132 |
Issue |
18 |
Pages |
184001 |
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Keywords |
A1 Journal Article; CMT |
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Abstract |
Nanoscale extension and refinement of the Lucas-Washburn model is presented with a detailed analysis of recent experimental data and extensive molecular dynamics simulations to investigate rapid water flow and water imbibition within nanocapillaries. Through a comparative analysis of capillary rise in hydrophilic nanochannels, an unexpected reversal of the anticipated trend, with an abnormal peak, of imbibition length below the size of 3 nm was discovered in hydrophilic nanochannels, surprisingly sharing the same physical origin as the well-known peak observed in flow rate within hydrophobic nanochannels. The extended imbibition model is applicable across diverse spatiotemporal scales and validated against simulation results and existing experimental data for both hydrophilic and hydrophobic |
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Wos |
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Publication Date |
2024-04-30 |
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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 |
0031-9007 |
ISBN |
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Additional Links |
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Impact Factor |
8.6 |
Times cited |
1 |
Open Access |
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Notes |
We gratefully acknowledge the financial support pro- vided by the National Natural Science Foundation of China (Projects No. 52488201 and No. 52222606). Part of this project was supported by the Flemish Science Foundations (FWO-Vl) and the Iranian National Science Foundation (No. 4025061 and No. 4021261). |
Approved |
Most recent IF: 8.6; 2024 IF: 8.462 |
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Call Number |
UA @ lucian @ |
Serial |
9122 |
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Permanent link to this record |
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Author |
Faraji, F.; Neyts, E.C.; Milošević, M.V.; Peeters, F.M. |
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Title |
Capillary Condensation of Water in Graphene Nanocapillaries |
Type |
A1 Journal Article |
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Year |
2024 |
Publication |
Nano Letters |
Abbreviated Journal |
Nano Lett. |
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Volume |
24 |
Issue |
18 |
Pages |
5625-5630 |
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Keywords |
A1 Journal Article; CMT |
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Abstract |
Recent experiments have revealed that the macroscopic Kelvin equation remains surprisingly accurate even for nanoscale capillaries. This phenomenon was so far explained by the oscillatory behavior of the solid−liquid interfacial free energy. We here demonstrate thermodynamic and capillarity inconsistencies with this explanation. After revising the Kelvin equation, we ascribe its validity at nanoscale confinement to the effect of disjoining pressure.
To substantiate our hypothesis, we employed molecular dynamics simulations to evaluate interfacial heat transfer and wetting properties. Our assessments unveil a breakdown in a previously established proportionality between the work of adhesion and the Kapitza conductance at capillary heights below 1.3 nm, where the dominance of the work of adhesion shifts primarily from energy to entropy. Alternatively, the peak density of the initial water layer can effectively probe the work of adhesion. Unlike under bulk conditions, high confinement renders the work of adhesion entropically unfavorable. |
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Publication Date |
2024-05-08 |
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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 |
1530-6984 |
ISBN |
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Additional Links |
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Impact Factor |
10.8 |
Times cited |
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Open Access |
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Notes |
This work was supported by Research Foundation-Flanders (FWO, project No. G099219N). The computational resources used in this work were provided by the HPC core facility CalcUA of the University of Antwerp, and the Flemish Supercomputer Center (VSC), funded by FWO and the Flemish Government. |
Approved |
Most recent IF: 10.8; 2024 IF: 12.712 |
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Call Number |
UA @ lucian @ |
Serial |
9123 |
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Permanent link to this record |
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Author |
Rosenauer, A.; Gerthsen, D.; Van Aert, S.; van Dyck, D.; den Dekker, A.J. |
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Title |
Present state of the composition evaluation of ternary semiconductor nanostructures by lattice fringe analysis |
Type |
A1 Journal article |
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Year |
2003 |
Publication |
Institute of physics conference series |
Abbreviated Journal |
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Volume |
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Issue |
180 |
Pages |
19-22 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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Abstract |
Semiconductor heterostructures are used for the fabrication of optoelectronic devices. Performance of such devices is governed by their chemical morphology. The composition distribution of quantum wells and dots is influenced by kinetic growth processes which are not understood completely at present. To obtain more information about these effects, methods for composition determination with a spatial resolution at a near atomic scale are necessary. In this paper we focus on the present state of the composition evaluation by the lattice fringe analysis (CELFA) technique and explain the basic ideas, optimum imaging conditions, precision and accuracy. |
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Publication Date |
0000-00-00 |
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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 |
0-7503-0979-2 |
ISBN |
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Additional Links |
UA library record; WoS full record; |
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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 |
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Call Number |
UA @ lucian @ c:irua:95118 |
Serial |
2710 |
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Permanent link to this record |
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Author |
Weng, Y.; Ding, L.; Zhang, Z.; Jia, Z.; Wen, B.; Liu, Y.; Muraishi, S.; Li, Y.; Liu, Q. |
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Title |
Effect of Ag addition on the precipitation evolution and interfacial segregation for Al-Mg-Si alloy |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Acta materialia |
Abbreviated Journal |
Acta Mater |
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Volume |
180 |
Issue |
180 |
Pages |
301-316 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The effect of Ag addition on the precipitation evolution and interfacial segregation for Al-Mg-Si alloys was systematically investigated by atomic resolution high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM), atom probe tomography (APT) and density functional theory (DFT) calculation. At the early aging stage, Ag atoms could enter clusters and refine the distribution of these clusters. Then, Ag atoms preferentially segregate at the GP zone/alpha-Al and beta ''/alpha-Al interfaces at the peak aging stage by the replacement of Al atoms in FCC matrix. With prolonging aging time, Ag atoms generally incorporate into the interior of beta '' precipitate, facilitating the formation of QP lattice (a hexagonal network of Si atomic columns) and the local symmetry substructures, Ag sub-unit (1) and Ag sub-unit (2). At the over-aged stage, the Ag sub-unit (1) and Ag sub-unit (2) could transform to the beta'(Ag) (i.e. beta'(Ag1) and beta'(Ag2).) and Q'(Ag) unit cells, respectively. All the precipitates at the over-aging stage have a composite and disordered structure due to the coexistence of different unit cells (beta'(Ag1), beta'(Ag2), Q'(Ag) and beta') and the non-periodic arrangement of Ag atoms within the precipitate. In the equilibrium stage, the incorporated Ag atoms in the precipitates release into the alpha-Al matrix as solute atoms or form Ag particles. In general, Ag atoms undergo a process of “segregate at the precipitate/matrix interface -> incorporate into the interior of precipitate -> release into the alpha-Al matrix” during the precipitation for Al-Mg-Si-Ag alloys. Besides, Ag segregation is found at the interfaces of almost all metastable phases (including GP zone, beta '', beta'/beta'(Ag) phase) in Al-Mg-Si-Ag alloys. The Ag segregation at the beta'/alpha-Al interface could increase the length/diameter ratio of beta' phase and thus promote the additional strengthening potential of these alloys. These findings provide a new route for precipitation hardening by promoting the nucleation and morphology evolution of precipitates. (C) 2019 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. |
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Wos |
000495519100028 |
Publication Date |
2019-09-12 |
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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 |
1359-6454 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.301 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 5.301 |
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Call Number |
UA @ admin @ c:irua:164641 |
Serial |
6295 |
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Permanent link to this record |
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Author |
Liu, J.; Hu, Z.-Y.; Peng, Y.; Huang, H.-W.; Li, Y.; Wu, M.; Ke, X.-X.; Van Tendeloo, G.; Su, B.-L. |
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Title |
2D ZnO mesoporous single-crystal nanosheets with exposed {0001} polar facets for the depollution of cationic dye molecules by highly selective adsorption and photocatalytic decomposition |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Applied catalysis : B : environmental |
Abbreviated Journal |
Appl Catal B-Environ |
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Volume |
181 |
Issue |
181 |
Pages |
138-145 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Two dimensional (2D) ZnO nanosheets are ideal system for dimensionally confined transport phenomenon investigation owing to specific surface atomic configuration. Therefore, 2D ZnO porous nanosheets with single-crystal nature and {0001} polar facets, likely display some specific physicochemical properties. In this work, for the first time, 2D ZnO mesoporous single-crystal nanosheets (ZnO-MSN) with {0001} polar facets have been designed and prepared via an intriguing colloidal templating approach through controlling the infiltration speed for the suspension of EG-capped ZnO nanoparticles and polymer colloids. The EG-capped ZnO nanoparticles are very helpful for single-crystal nanosheet formation, while the polymer colloids play dual roles on the mesoporosity generation and {0001} polar facets formation within the mesopores. Such special 2D structure not only accelerates the hole-electron separation and the electron transportation owing to the single-crystal nature, but also enhances the selective adsorption of organic molecules owing to the porous structure and the exposed {0001} polar facets with more O-termination (000-1) surfaces: the 2D ZnO-MSN shows highly selective adsorption and significantly higher photodegradation for positively charged rhodamine B than those for negatively charged methyl orange and neutral phenol, comparing with ZnO nanoparticles (ZnO-NP) and ZnO commercial nanoparticles (ZnO-CNP) with high surface areas. This work may shed some light on better understanding the synthesis of 2D porous single-crystal nanosheet with exposed polar surfaces and photocatalytic mechanism of nanostructured semiconductors in a mixed organic molecules system. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000364256000015 |
Publication Date |
2015-08-01 |
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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 |
0926-3373; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.446 |
Times cited |
60 |
Open Access |
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|
Notes |
246791 Countatoms |
Approved |
Most recent IF: 9.446 |
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Call Number |
c:irua:127638 c:irua:127638 c:irua:127638 |
Serial |
10 |
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Permanent link to this record |
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Author |
Vanrenterghem, B.; Geboes, B.; Bals, S.; Ustarroz, J.; Hubin, A.; Breugelmans, T. |
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Title |
Influence of the support material and the resulting particle distribution on the deposition of Ag nanoparticles for the electrocatalytic activity of benzyl bromide reduction |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Applied catalysis : B : environmental |
Abbreviated Journal |
Appl Catal B-Environ |
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Volume |
181 |
Issue |
181 |
Pages |
542-549 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) |
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Abstract |
tSilver nanoparticles (NPs) were deposited on nickel, titanium and gold substrates using a potentiostaticdouble-pulse method. The influence of the support material on both the morphology and the electro-catalytic activity of Ag NPs for the reduction reaction of benzyl bromide was investigated and comparedwith previous research regarding silver NPs on glassy carbon. Scanning electron microscopy (SEM) dataindicated that spherical monodispersed NPs were obtained on Ni, Au and GC substrate with an averageparticle size of respectively 216 nm, 413 nm and 116 nm. On a Ti substrate dendritic NPs were obtainedwith a larger average particle density of 480 nm. The influence of the support material on the electrocat-alytic activity was tested by means of cyclic voltammetry (CV) for the reduction reaction of benzylbromide(1 mM) in acetonitrile + 0.1 M tetrabutylammonium perchlorate (Bu4NClO4). When the nucleation poten-tial (En) was applied at high cathodic overpotential, a positive shift of the reduction potential was obtained.The nucleation (tn) and growth time (tg) mostly had an influence on the current density whereas longerdeposition times lead to larger current densities. For these three parameters an optimum was present.The best electrocatalytic activity was obtained with Ag NPs deposited on Ni were a shift of the reduc-tion peak potential of 145 mV for the reaction of benzyl bromide was measured in comparance to bulksilver. The deposition on Au substrate yielded a positive shift of 114 mV. There was no indication of analtered reaction mechanism as the reaction was characterized as diffusion controlled and the transfercoefficients were in accordance with bulk silver. There was a beneficial catalitic activity measured due tothe interplay between support and NPs. This resulted in a shift of the reduction peak potential of 34 mV(Ag NPs on Au) and 65 mV (Ag NPs on Ni) compared to Ag NPs on a GC substrate. |
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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 |
000364256000052 |
Publication Date |
2015-08-18 |
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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 |
0926-3373 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.446 |
Times cited |
16 |
Open Access |
OpenAccess |
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Notes |
The Quanta 250 FEG microscope of the Electron Microscopy forMaterial Science group at the University of Antwerp was fundedby the Hercules foundation of the Flemish Government. Sara Balsacknowledges financial support from European Research Council(ERC Starting Grant #335078-COLOURATOMS).; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); |
Approved |
Most recent IF: 9.446 |
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Call Number |
c:irua:128345 |
Serial |
4064 |
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Permanent link to this record |
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Author |
Alania, M.; De Backer, A.; Lobato, I.; Krause, F.F.; Van Dyck, D.; Rosenauer, A.; Van Aert, S. |
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Title |
How precise can atoms of a nanocluster be located in 3D using a tilt series of scanning transmission electron microscopy images? |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
181 |
Issue |
181 |
Pages |
134-143 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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Abstract |
In this paper, we investigate how precise atoms of a small nanocluster can ultimately be located in three dimensions (3D) from a tilt series of images acquired using annular dark field (ADF) scanning transmission electron microscopy (STEM). Therefore, we derive an expression for the statistical precision with which the 3D atomic position coordinates can be estimated in a quantitative analysis. Evaluating this statistical precision as a function of the microscope settings also allows us to derive the optimal experimental design. In this manner, the optimal angular tilt range, required electron dose, optimal detector angles, and number of projection images can be determined. |
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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 |
000411170800016 |
Publication Date |
2016-12-15 |
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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 |
0304-3991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
3 |
Open Access |
OpenAccess |
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Notes |
The authors acknowledge financial support from the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure Initiative. Reference No. 312483-ESTEEM2. The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0374.13N, G.0369.15N, G.0368.15N, and WO.010.16N) and a post-doctoral grant to A. De Backer, and from the DFG under contract No. RO-2057/4-2. |
Approved |
Most recent IF: 2.843 |
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Call Number |
EMAT @ emat @ c:irua:144432 |
Serial |
4618 |
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Permanent link to this record |
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Author |
Gauquelin, N.; van den Bos, K.H.W.; Béché, A.; Krause, F.F.; Lobato, I.; Lazar, S.; Rosenauer, A.; Van Aert, S.; Verbeeck, J. |
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Title |
Determining oxygen relaxations at an interface: A comparative study between transmission electron microscopy techniques |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
181 |
Issue |
181 |
Pages |
178-190 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Nowadays, aberration corrected transmission electron microscopy (TEM) is a popular method to characterise nanomaterials at the atomic scale. Here, atomically resolved images of nanomaterials are acquired, where the contrast depends on the illumination, imaging and detector conditions of the microscope. Visualization of light elements is possible when using low angle annular dark field (LAADF) STEM, annular bright field (ABF) STEM, integrated differential phase contrast (iDPC) STEM, negative spherical aberration imaging (NCSI) and imaging STEM (ISTEM). In this work, images of a NdGaO3-La0.67Sr0.33MnO3 (NGO-LSMO) interface are quantitatively evaluated by using statistical parameter estimation theory. For imaging light elements, all techniques are providing reliable results, while the techniques based on interference contrast, NCSI and ISTEM, are less robust in terms of accuracy for extracting heavy column locations. In term of precision, sample drift and scan distortions mainly limits the STEM based techniques as compared to NCSI. Post processing techniques can, however, partially compensate for this. In order to provide an outlook to the future, simulated images of NGO, in which the unavoidable presence of Poisson noise is taken into account, are used to determine the ultimate precision. In this future counting noise limited scenario, NCSI and ISTEM imaging will provide more precise values as compared to the other techniques, which can be related to the mechanisms behind the image recording. |
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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 |
000411170800022 |
Publication Date |
2017-06-03 |
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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 |
0304-3991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
34 |
Open Access |
OpenAccess |
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Notes |
The authors acknowledge financial support from Flanders (FWO, Belgium) through project fundings (G.0044.13N, G.0374.13N, G.0368.15N, G.0369.15N), and by a Ph.D. grant to K.H.W.v.d.B. The Qu-Ant-EM microscope used for this study was partly funded by the Hercules fund from the Flemish Government. A.B. and N.G. acknowledge the EUROTAPES project (FP7-NMP.2011.2.2-1 Grant no.280432) which partly funded this study. N.G., A.B. and J.V. acknowledge funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant 278510 VORTEX. The research leading to these results has received funding from the Deutsche Forschungsgemeinschaft under Contract No. RO 2057/4-2 and the European Union Seventh Framework Programme under Grant Agreement 312483 – ESTEEM2. We thank Prof. G. Koster from the University of Twente for kindly providing us with the LSMO-NGO test sample. |
Approved |
Most recent IF: 2.843 |
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Call Number |
EMAT @ emat @ c:irua:144435UA @ admin @ c:irua:144435 |
Serial |
4620 |
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Permanent link to this record |
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Author |
Hadermann, J.; Abakumov, A.M.; Perkisas, T.; d' Hondt, H.; Tan, H.; Verbeeck, J.; Filonenko, V.P.; Antipov, E.V.; Van Tendeloo, G. |
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Title |
New perovskite-based manganite Pb2Mn2O5 |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
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Volume |
183 |
Issue |
183 |
Pages |
2190-2195 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
A new perovskite based compound Pb2Mn2O5 has been synthesized using a high pressure high temperature technique. The structure model of Pb2Mn2O5 is proposed based on electron diffraction, high angle annular dark field scanning transmission electron microscopy and high resolution transmission electron microscopy. The compound crystallizes in an orthorhombic unit cell with parameters a=5.736(1)Å≈√2a p p p (a p the parameter of the perovskite subcell) and space group Pnma. The Pb2Mn2O5 structure consists of quasi two-dimensional perovskite blocks separated by 1/2[110] p (1̄01) p crystallographic shear planes. The blocks are connected to each other by chains of edge-sharing MnO5 distorted tetragonal pyramids. The chains of MnO5 pyramids and the MnO6 octahedra of the perovskite blocks delimit six-sided tunnels accommodating double chains of Pb atoms. The tunnels and pyramidal chains adopt two mirror-related configurations (left L and right R) and layers consisting of chains and tunnels of the same configuration alternate in the structure according to an -LRLR-sequence. The sequence is sometimes locally violated by the appearance of -LL- or -RR-fragments. A scheme is proposed with a JahnTeller distortion of the MnO6 octahedra with two long and two short bonds lying in the ac plane, along two perpendicular orientations within this plane, forming a d-type pattern. |
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Corporate Author |
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Place of Publication |
London |
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Wos |
000282139600041 |
Publication Date |
2010-07-25 |
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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 |
0022-4596; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.299 |
Times cited |
8 |
Open Access |
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Notes |
Fwo; Bof; Esteem 026019 |
Approved |
Most recent IF: 2.299; 2010 IF: 2.261 |
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Call Number |
UA @ lucian @ c:irua:85472UA @ admin @ c:irua:85472 |
Serial |
2332 |
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Permanent link to this record |
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Author |
Bogaerts, A.; Kozak, T.; van Laer, K.; Snoeckx, R. |
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Title |
Plasma-based conversion of CO2: current status and future challenges |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Faraday discussions |
Abbreviated Journal |
Faraday Discuss |
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Volume |
183 |
Issue |
183 |
Pages |
217-232 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
This paper discusses our recent results on plasma-based CO2 conversion, obtained by a combination of experiments and modeling, for a dielectric barrier discharge (DBD), a microwave plasma and a packed bed DBD reactor. The results illustrate that plasma technology is quite promising for CO2 conversion, but more research is needed to better understand the underlying mechanisms and to further improve the capabilities. |
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Address |
Research Group PLASMANT, University of Antwerp, Department of Chemistry, Universiteitsplein 1, Antwerp, Belgium. annemie.bogaerts@uantwerpen.be |
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Language |
English |
Wos |
000365914900013 |
Publication Date |
2015-06-29 |
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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 |
1359-6640 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.588 |
Times cited |
89 |
Open Access |
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Notes |
We thank R. Aerts and W. van Gaens for setting up the experimental systems and for the interesting results obtained during their PhD study in our group. We also acknowledge nancial support from the IAP/7 (Inter-university Attraction Pole) program ‘PSI-Physical Chemistry of Plasma-Surface Interactions’ by the Belgian Federal Office for Science Policy (BELSPO), the Fund for Scientic Research Flanders (FWO) and the EU-FP7-ITN network “RAPID”. |
Approved |
Most recent IF: 3.588; 2015 IF: 4.606 |
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Call Number |
c:irua:130318 |
Serial |
3983 |
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Permanent link to this record |
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Author |
Zhong, Z.; Aveyard, R.; Rieger, B.; Bals, S.; Palenstijn, W.J.; Batenburg, K.J. |
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Title |
Automatic correction of nonlinear damping effects in HAADF-STEM tomography for nanomaterials of discrete compositions |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
184 |
Issue |
184 |
Pages |
57-65 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
<script type='text/javascript'>document.write(unpmarked('HAADF-STEM tomography is a common technique for characterizing the three-dimensional morphology of nanomaterials. In conventional tomographic reconstruction algorithms, the image intensity is assumed to be a linear projection of a physical property of the specimen. However, this assumption of linearity is not completely valid due to the nonlinear damping of signal intensities. The nonlinear damping effects increase w.r.t the specimen thickness and lead to so-called \u0022cupping artifacts\u0022, due to a mismatch with the linear model used in the reconstruction algorithm. Moreover, nonlinear damping effects can strongly limit the applicability of advanced reconstruction approaches such as Total Variation Minimization and discrete tomography. In this paper, we propose an algorithm for automatically correcting the nonlinear effects and the subsequent cupping artifacts. It is applicable to samples in which chemical compositions can be segmented based on image gray levels. The correction is realized by iteratively estimating the nonlinear relationship between projection intensity and sample thickness, based on which the projections are linearized. The correction and reconstruction algorithms are tested on simulated and experimental data. (C) 2017 Elsevier B.V. All rights reserved.')); |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000417779800008 |
Publication Date |
2017-10-31 |
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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 |
0304-3991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
8 |
Open Access |
OpenAccess |
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Notes |
; This research is supported by the Dutch Technology Foundation STW (http:// www.stw.nl/), which is part of the Netherlands Organization for Scientific Research (NWO), and which is partly funded by the Ministry of Economic Affairs, Agriculture and Innovation under project number 13314. Funding from the European Research Council (Starting grant no. COLOURATOMS 335078) is acknowledged by S. Bals. The authors would like to thank Dr. Thomas Altantzis and Dr. Bart Goris for providing the experimental data, and Prof. Dr. Luis M. Liz-Marzan for providing the investigated samples. ; ecas_sara |
Approved |
Most recent IF: 2.843 |
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Call Number |
UA @ lucian @ c:irua:148501UA @ admin @ c:irua:148501 |
Serial |
4867 |
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Permanent link to this record |
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Author |
Zhang, Y.-R.; Van Laer, K.; Neyts, E.C.; Bogaerts, A. |
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Title |
Can plasma be formed in catalyst pores? A modeling investigation |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Applied catalysis : B : environmental |
Abbreviated Journal |
Appl Catal B-Environ |
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Volume |
185 |
Issue |
185 |
Pages |
56-67 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
tWe investigate microdischarge formation inside catalyst pores by a two-dimensional fluid model forvarious pore sizes in the m-range and for various applied voltages. Indeed, this is a poorly understoodphenomenon in plasma catalysis. The calculations are performed for a dielectric barrier discharge inhelium, at atmospheric pressure. The electron and ion densities, electron temperature, electric field andpotential, as well as the electron impact ionization and excitation rate and the densities of excited plasmaspecies, are examined for a better understanding of the characteristics of the plasma inside a pore. Theresults indicate that the pore size and the applied voltage are critical parameters for the formation of amicrodischarge inside a pore. At an applied voltage of 20 kV, our calculations reveal that the ionizationmainly takes place inside the pore, and the electron density shows a significant increase near and inthe pore for pore sizes larger than 200m, whereas the effect of the pore on the total ion density isevident even for 10m pores. When the pore size is fixed at 30m, the presence of the pore has nosignificant influence on the plasma properties at an applied voltage of 2 kV. Upon increasing the voltage,the ionization process is enhanced due to the strong electric field and high electron temperature, andthe ion density shows a remarkable increase near and in the pore for voltages above 10 kV. These resultsindicate that the plasma species can be formed inside pores of structured catalysts (in the m range),and they may interact with the catalyst surface, and affect the plasma catalytic process. |
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Place of Publication |
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Language |
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Wos |
000369452000006 |
Publication Date |
2015-12-11 |
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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 |
0926-3373 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.446 |
Times cited |
75 |
Open Access |
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Notes |
This work was supported by the Fund for Scientific ResearchFlanders (FWO) (Grant no. G.0217.14N), the National Natural Sci-ence Foundation of China (Grant no. 11405019), and the ChinaPostdoctoral Science Foundation (Grant no. 2015T80244). Theauthors are very grateful to V. Meynen for the useful discussions oncatalysts. This work was carried out in part using the Turing HPCinfrastructure at the CalcUA core facility of the Universiteit Antwer-pen, a division of the Flemish Supercomputer Center VSC, fundedby the Hercules Foundation, the Flemish Government (departmentEWI) and the University of Antwerp. |
Approved |
Most recent IF: 9.446 |
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Call Number |
c:irua:129808 |
Serial |
3984 |
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Permanent link to this record |
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Author |
Tit, N.; Al Ezzi, M.M.; Abdullah, H.M.; Yusupov, M.; Kouser, S.; Bahlouli, H.; Yamani, Z.H. |
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Title |
Detection of CO2 using CNT-based sensors: Role of Fe catalyst on sensitivity and selectivity |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Materials chemistry and physics |
Abbreviated Journal |
Mater Chem Phys |
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Volume |
186 |
Issue |
186 |
Pages |
353-364 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The adsorption of CO2 on surfaces of graphene and carbon nanotubes (CNTs), decorated with Fe atoms, are investigated using the self-consistent-charge density-functional tight-binding (SCC-DFTB) method, neglecting the heat effects. Fe ad-atoms are more stable when they are dispersed on hollow sites. They introduce a large density of states at the Fermi level (N-F); where keeping such density low would help in gas sensing. Furthermore, the Fe ad-atom can weaken the C=O double bonds of the chemisorbed CO2 molecule, paving the way for oxygen atoms to drain more charges from Fe. Consequently, chemisorption of CO2 molecules reduces both N-F and the conductance while it enhances the sensitivity with the increasing gas dose. Conducting armchair CNTs (ac-CNTs) have higher sensitivity than graphene and semiconducting zigzag CNTs (zz-CNT5). Comparative study of sensitivity of ac-CNT-Fe composite towards various gases (e.g., O-2, N-2, H-2, H2O, CO and CO2) has shown high sensitivity and selectivity towards CO, CO2 and H2O gases. (C) 2016 Elsevier B.V. All rights reserved. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lausanne |
Editor |
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Language |
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Wos |
000390621200044 |
Publication Date |
2016-11-04 |
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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 |
0254-0584 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.084 |
Times cited |
17 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 2.084 |
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Call Number |
UA @ lucian @ c:irua:140333 |
Serial |
4465 |
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Permanent link to this record |
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Author |
Florea, A.; Cowen, T.; Piletsky, S.; De Wael, K. |
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Title |
Polymer platforms for selective detection of cocaine in street samples adulterated with levamisole |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Talanta : the international journal of pure and applied analytical chemistry |
Abbreviated Journal |
Talanta |
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Volume |
186 |
Issue |
186 |
Pages |
362-367 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Accurate drug detection is of utmost importance for fighting against drug abuse. With a high number of cutting agents and adulterants being added to cut or mask drugs in street powders the number of false results is increasing. We demonstrate for the first time the usefulness of employing polymers readily synthesized by electrodeposition to selectively detect cocaine in the presence of the commonly used adulterant levamisole. The polymers were selected by computational modelling to exhibit high binding affinity towards cocaine and deposited directly on the surface of graphene-modified electrodes via electropolymerization. The resulting platforms allowed a distinct electrochemical signal for cocaine, which is otherwise suppressed by levamisole. Square wave voltammetry was used to quantify cocaine alone and in the presence of levamisole. The usefulness of the platforms was demonstrated in the screening of real street samples. |
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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 |
000435048800049 |
Publication Date |
2018-04-25 |
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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 |
0039-9140; 1873-3573 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.162 |
Times cited |
9 |
Open Access |
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Notes |
; This project has received funding from the European Union's Horizon 2020 Research and Innovation Programme under the Marie Sklodowska-Curie Grant Agreement no. 753223 Narcoreader. This work was also supported by IOF-SBO (UAntwerp). The authors thank Gert Nuyts for the help with SEM analyses. ; |
Approved |
Most recent IF: 4.162 |
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Call Number |
UA @ admin @ c:irua:151250 |
Serial |
5777 |
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Permanent link to this record |
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Author |
Yusupov, M.; Van der Paal, J.; Neyts, E.C.; Bogaerts, A. |
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Title |
Synergistic effect of electric field and lipid oxidation on the permeability of cell membranes |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Biochimica et biophysica acta : G : general subjects |
Abbreviated Journal |
Bba-Gen Subjects |
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Volume |
1861 |
Issue |
1861 |
Pages |
839-847 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Background: Strong electric fields are knownto affect cell membrane permeability,which can be applied for therapeutic purposes, e.g., in cancer therapy. A synergistic enhancement of this effect may be accomplished by the presence of reactive oxygen species (ROS), as generated in cold atmospheric plasmas. Little is known about the synergy between lipid oxidation by ROS and the electric field, nor on howthis affects the cell membrane permeability.
Method: We here conduct molecular dynamics simulations to elucidate the dynamics of the permeation process under the influence of combined lipid oxidation and electroporation. A phospholipid bilayer (PLB), consisting of di-oleoyl-phosphatidylcholine molecules covered with water layers, is used as a model system for the plasma membrane.
Results and conclusions:Weshow howoxidation of the lipids in the PLB leads to an increase of the permeability of the bilayer to ROS, although the permeation free energy barriers still remain relatively high. More importantly, oxidation of the lipids results in a drop of the electric field threshold needed for pore formation (i.e., electroporation) in the PLB. The created pores in the membrane facilitate the penetration of reactive plasma species deep into the cell interior, eventually causing oxidative damage.
General significance: This study is of particular interest for plasma medicine, as plasma generates both ROS and electric fields, but it is also of more general interest for applications where strong electric fields and ROS both come into play. |
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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 |
000397366200012 |
Publication Date |
2017-01-27 |
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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 |
0304-4165 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.702 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
This work is financially supported by the Fund for Scientific Research Flanders (FWO; grant numbers: 1200216N and 11U5416N). The work was carried out 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 Flem |
Approved |
Most recent IF: 4.702 |
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Call Number |
PLASMANT @ plasmant @ c:irua:140095 |
Serial |
4413 |
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Permanent link to this record |
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Author |
Ryabova, A.S.; Napolskiy, F.S.; Poux, T.; Istomin, S.Y.; Bonnefont, A.; Antipin, D.M.; Baranchikov, A.Y.; Levin, E.E.; Abakumov, A.M.; Kéranguéven, G.; Antipov, E.V.; Tsirlina, G.A.; Savinova, E.R.; |
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Title |
Rationalizing the influence of the Mn(IV)/Mn(III) red-Ox transition on the electrocatalytic activity of manganese oxides in the oxygen reduction reaction |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Electrochimica acta |
Abbreviated Journal |
Electrochim Acta |
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Volume |
187 |
Issue |
187 |
Pages |
161-172 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Knowledge on the mechanisms of oxygen reduction reaction (ORR) and descriptors linking the catalytic activity to the structural and electronic properties of transition metal oxides enable rational design of more efficient catalysts. In this work ORR electrocatalysis was studied on a set of single and complex Mn (III) oxides with a rotating disc electrode method and cyclic voltammetry. We discovered an exponential increase of the specific electrocatalytic activity with the potential of the surface Mn(IV)/Mn(III) red-ox couple, suggesting the latter as a new descriptor for the ORR electrocatalysis. The observed dependence is rationalized using a simple mean-field kinetic model considering availability of the Mn( III) centers and adsorbate-adsorbate interactions. We demonstrate an unprecedented activity of Mn2O3, ca. 40 times exceeding that of MnOOH and correlate the catalytic activity of Mn oxides to their crystal structure. (C) 2015 Elsevier Ltd. All rights reserved. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000367235600019 |
Publication Date |
2015-11-10 |
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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 |
0013-4686 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.798 |
Times cited |
51 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.798 |
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Call Number |
UA @ lucian @ c:irua:131096 |
Serial |
4237 |
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Permanent link to this record |
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Author |
Verbruggen, S.W.; Keulemans, M.; Goris, B.; Blommaerts, N.; Bals, S.; Martens, J.A.; Lenaerts, S. |
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Title |
Plasmonic ‘rainbow’ photocatalyst with broadband solar light response for environmental applications |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Applied catalysis : B : environmental |
Abbreviated Journal |
Appl Catal B-Environ |
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Volume |
188 |
Issue |
188 |
Pages |
147-153 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
We propose the concept of a ‘rainbow’ photocatalyst that consists of TiO2 modified with gold-silver alloy nanoparticles of various sizes and compositions, resulting in a broad plasmon absorption band that covers the entire UV–vis range of the solar spectrum. It is demonstrated that this plasmonic ‘rainbow’ photocatalyst is 16% more effective than TiO2 P25 under both simulated and real solar light for pollutant degradation at the solid-gas interface. With this we provide a promising strategy to maximize the spectral response for solar to chemical energy conversion. |
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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 |
000372677500016 |
Publication Date |
2016-02-03 |
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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 |
0926-3373 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.446 |
Times cited |
47 |
Open Access |
OpenAccess |
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Notes |
S.W.V. and B.G. acknowledge the Research Foundation—Flanders (FWO) for a postdoctoral fellowship. M.K. acknowledges IWT for the doctoral scholarship. S.B. acknowledges the European Research Council (ERC) for financial support through the ERC grant agreement no. 335078-COLOURATOM. J.A.M. acknowledges the Flemish government for long-term structural funding (Methusalem).; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); |
Approved |
Most recent IF: 9.446 |
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Call Number |
c:irua:130995 |
Serial |
4061 |
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Permanent link to this record |
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Author |
Gielis, J. |
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Title |
Er bestaan geen absurde, irrationele, onregelmatige of onderling niet-onmeetbare meetkundige getallen |
Type |
A2 Journal article |
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Year |
2021 |
Publication |
Wiskunde en onderwijs |
Abbreviated Journal |
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Volume |
47 |
Issue |
188 |
Pages |
23-33 |
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Keywords |
A2 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
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Wos |
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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 |
2032-0485 |
ISBN |
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Additional Links |
UA library record |
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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 |
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Call Number |
UA @ admin @ c:irua:183083 |
Serial |
7934 |
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Permanent link to this record |
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Author |
Korneychuk, S.; Partoens, B.; Guzzinati, G.; Ramaneti, R.; Derluyn, J.; Haenen, K.; Verbeeck, J. |
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Title |
Exploring possibilities of band gap measurement with off-axis EELS in TEM |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
189 |
Issue |
189 |
Pages |
76-84 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
A technique to measure the band gap of dielectric materials with high refractive index by means of energy electron loss spectroscopy (EELS) is presented. The technique relies on the use of a circular (Bessel) aperture and suppresses Cherenkov losses and surface-guided light modes by enforcing a momentum transfer selection. The technique also strongly suppresses the elastic zero loss peak, making the acquisition, interpretation and signal to noise ratio of low loss spectra considerably better, especially for excitations in the first few eV of the EELS spectrum. Simulations of the low loss inelastic electron scattering probabilities demonstrate the beneficial influence of the Bessel aperture in this setup even for high accelerating voltages. The importance of selecting the optimal experimental convergence and collection angles is highlighted. The effect of the created off-axis acquisition conditions on the selection of the transitions from valence to conduction bands is discussed in detail on a simplified isotropic two band model. This opens the opportunity for deliberately selecting certain transitions by carefully tuning the microscope parameters. The suggested approach is experimentally demonstrated and provides good signal to noise ratio and interpretable band gap signals on reference samples of diamond, GaN and AlN while offering spatial resolution in the nm range. (C) 2018 Elsevier B.V. All rights reserved. |
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Corporate Author |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000432868500008 |
Publication Date |
2018-03-29 |
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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 |
0304-3991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
7 |
Open Access |
OpenAccess |
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Notes |
; S.K., B.P. and J.V. acknowledge funding from the “Geconcentreerde Onderzoekacties” (GOA) project “Solarpaint” of the University of Antwerp. S.K. and J.V. also acknowledge the FWO-Vlaanderen for financial support under contract G.0044.13N 'Charge ordering'. Financial support via the Methusalem “NANO” network is acknowledged. GG acknowledges support from a postdoctoral fellowship grant from the Fonds Wetenschappelijk Onderzoek-Vlaanderen (FWO). ; |
Approved |
Most recent IF: 2.843 |
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Call Number |
UA @ lucian @ c:irua:151472UA @ admin @ c:irua:151472 |
Serial |
5026 |
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Permanent link to this record |
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Author |
Szumniak, P.; Bednarek, S.; Pawlowski, J.; Partoens, B. |
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Title |
All-electrical control of quantum gates for single heavy-hole spin qubits |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
87 |
Issue |
19 |
Pages |
195307-195312 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In this paper several nanodevices which realize basic single heavy-hole qubit operations are proposed and supported by time-dependent self-consistent Poisson-Schrodinger calculations using a four band heavy-hole-light-hole model. In particular we propose a set of nanodevices which can act as Pauli X, Y, Z quantum gates and as a gate that acts similar to a Hadamard gate (i.e., it creates a balanced superposition of basis states but with an additional phase factor) on the heavy-hole spin qubit. We also present the design and simulation of a gated semiconductor nanodevice which can realize an arbitrary sequence of all these proposed single quantum logic gates. The proposed devices exploit the self-focusing effect of the hole wave function which allows for guiding the hole along a given path in the form of a stable solitonlike wave packet. Thanks to the presence of the Dresselhaus spin-orbit coupling, the motion of the hole along a certain direction is equivalent to the application of an effective magnetic field which induces in turn a coherent rotation of the heavy-hole spin. The hole motion and consequently the quantum logic operation is initialized only by weak static voltages applied to the electrodes which cover the nanodevice. The proposed gates allow for an all electric and ultrafast (tens of picoseconds) heavy-hole spin manipulation and give the possibility to implement a scalable architecture of heavy-hole spin qubits for quantum computation applications. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Wos |
000319252200003 |
Publication Date |
2013-05-21 |
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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 |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
14 |
Open Access |
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Notes |
; This work was supported by the Polish National Science Center (Grant No. DEC-2011/03/N/ST3/02963), as well as by the “Krakow Interdisciplinary PhD-Project in Nanoscience and Advanced Nanostructures” operated within the Foundation for Polish Science MPD Programme, co-financed by the European Regional Development Fund. This research was supported in part by PL-Grid Infrastructure. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
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Call Number |
UA @ lucian @ c:irua:109002 |
Serial |
88 |
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Permanent link to this record |
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Author |
Kosimov, D.P.; Dzhurakhalov, A.A.; Peeters, F.M. |
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Title |
Carbon clusters: from ring structures to nanographene |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
81 |
Issue |
19 |
Pages |
195414,1-195414,12 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Integrated Molecular Plant Physiology Research (IMPRES); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The lowest-energy configurations of Cn(n≤55) clusters are obtained using the energy-minimization technique with the conjugate gradient method where a modified Brenner potential is invoked to describe the carbon and hydrocarbon interaction. We found that the ground-state configuration consists of a single ring for small number of C atoms and multiring structures are found with increasing n, which can be in planar, bowl-like or caplike form. Contrary to previous predictions, the binding energy Eb does not show even-odd oscillations and only small jumps are found in the Eb(n) curve as a consequence of specific types of edges or equivalently the number of secondary atoms. We found that hydrogenation of the edge atoms may change the ground-state configuration of the nanocluster. In both cases we determined the magic clusters. Special attention is paid to trigonal and hexagonal shaped carbon clusters and to clusters having a graphenelike configuration. Trigonal clusters are never the ground state while hexagonal-shaped clusters are only the ground state when they have zigzag edges. |
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Place of Publication |
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Wos |
000278142000103 |
Publication Date |
2010-05-10 |
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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 |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
55 |
Open Access |
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Notes |
; This work was supported by the Belgian Science Policy (IAP) and the Flemish Science Foundation (FWO-V1). ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
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Call Number |
UA @ lucian @ c:irua:83385 |
Serial |
278 |
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Permanent link to this record |
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Author |
Villani, K.; Kirschhock, C.E.A.; Liang, D.; Van Tendeloo, G.; Martens, J.A. |
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Title |
Catalytic carbon oxidation over ruthenium-based catalysts |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
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Volume |
45 |
Issue |
19 |
Pages |
3106-3109 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000237533400016 |
Publication Date |
2006-03-30 |
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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 |
1433-7851;1521-3773; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
11.994 |
Times cited |
36 |
Open Access |
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Notes |
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Approved |
Most recent IF: 11.994; 2006 IF: 10.232 |
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Call Number |
UA @ lucian @ c:irua:59449 |
Serial |
291 |
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Permanent link to this record |
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Author |
Tirumalasetty, G.K.; van Huis, M.A.; Fang, C.M.; Xu, Q.; Tichelaar, F.D.; Hanlon, D.N.; Sietsma, J.; Zandbergen, H.W. |
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Title |
Characterization of NbC and (Nb, Ti)N nanoprecipitates in TRIP assisted multiphase steels |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Acta materialia |
Abbreviated Journal |
Acta Mater |
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Volume |
59 |
Issue |
19 |
Pages |
7406-7415 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Multiphase steels utilising composite strengthening may be further strengthened via grain refinement or precipitation by the addition of microalloying elements. In this study a Nb microalloyed steel comprising martensite, bainite and retained austenite has been studied. By means of transmission electron microscopy (TEM) we have investigated the size distribution and the structural properties of (Nb, Ti)N and NbC precipitates, their occurrence in the various steel phases, and their relationship with the Fe matrix. (Nb, Ti)N precipitates were found in ferrite, martensite, and bainite, while NbC precipitates were found only in ferrite. All NbC precipitates were found to be small (520 nm in size) and to have a face centred cubic (fcc) crystal structure with lattice parameter a = 4.36 ± 0.05 Å. In contrast, the (Nb, Ti)N precipitates were found to have a broader size range (5150 nm) and to have a fcc crystal structure with lattice parameter a = 8.09 ± 0.05 Å. While the NbC precipitates were found to be randomly oriented, the (Nb, Ti)N precipitates have a well-defined NishiyamaWasserman orientation relationship with the ferrite matrix. An analysis of the lattice mismatch suggests that the latter precipitates have a high potential for effective strengthening. Density functional theory calculations were performed for various stoichiometries of NbCx and NbxTiyNz phases and the comparison with experimental data indicates that both the carbides and nitrides are deficient in C and N content. |
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Oxford |
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000296405200026 |
Publication Date |
2011-09-29 |
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1359-6454; |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.301 |
Times cited |
58 |
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Approved |
Most recent IF: 5.301; 2011 IF: 3.755 |
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Call Number |
UA @ lucian @ c:irua:93297 |
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328 |
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