| Records |
Author  |
Kocabas, T.; Ozden, A.; Demiroglu, I.; Cakir, D.; Sevik, C. |
| Title |
Determination of Dynamically Stable Electrenes toward Ultrafast Charging Battery Applications |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
The journal of physical chemistry letters |
Abbreviated Journal |
|
| Volume |
9 |
Issue |
15 |
Pages |
4267-4274 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Electrenes, an atomically thin form of layered electrides, are very recent members of the 2D materials family. In this work, we employed first principle calculations to determine stable, exfoliatable, and application-promising 2D electrene materials among possible M2X compounds, where M is a group II-A metal and X is a nonmetal element (C, N, P, As, and Sb). The promise of stable electrene compounds for battery applications is assessed via their exfoliation energy, adsorption properties, and migration energy barriers toward relevant Li, Na, K, and Ca atoms. Our calculations revealed five new stable electrene candidates in addition to previously known Ca2N and Sr2N. Among these seven dynamically stable electrenes, Ba2As, Ba2P, Ba2Sb, Ca2N, Sr2N, and Sr2P are found to be very promising for either K or Na ion batteries due to their extremely low migration energy barriers (5-16 meV), which roughly demonstrates 105 times higher mobility than graphene and two to four times higher mobility than other promising 2D materials such as MXene (Mo2C). |
| 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 |
000440956500020 |
Publication Date |
2018-07-11 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1948-7185 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:193765 |
Serial |
7779 |
| Permanent link to this record |
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| |
| Author |
Kocabas, T.; Keceli, M.; Vazquez-Mayagoitia, A.; Sevik, C. |
| Title |
Gaussian approximation potentials for accurate thermal properties of two-dimensional materials |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Nanoscale |
Abbreviated Journal |
|
| Volume |
15 |
Issue |
19 |
Pages |
8772-8780 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Two-dimensional materials (2DMs) continue to attract a lot of attention, particularly for their extreme flexibility and superior thermal properties. Molecular dynamics simulations are among the most powerful methods for computing these properties, but their reliability depends on the accuracy of interatomic interactions. While first principles approaches provide the most accurate description of interatomic forces, they are computationally expensive. In contrast, classical force fields are computationally efficient, but have limited accuracy in interatomic force description. Machine learning interatomic potentials, such as Gaussian Approximation Potentials, trained on density functional theory (DFT) calculations offer a compromise by providing both accurate estimation and computational efficiency. In this work, we present a systematic procedure to develop Gaussian approximation potentials for selected 2DMs, graphene, buckled silicene, and h-XN (X = B, Al, and Ga, as binary compounds) structures. We validate our approach through calculations that require various levels of accuracy in interatomic interactions. The calculated phonon dispersion curves and lattice thermal conductivity, obtained through harmonic and anharmonic force constants (including fourth order) are in excellent agreement with DFT results. HIPHIVE calculations, in which the generated GAP potentials were used to compute higher-order force constants instead of DFT, demonstrated the first-principles level accuracy of the potentials for interatomic force description. Molecular dynamics simulations based on phonon density of states calculations, which agree closely with DFT-based calculations, also show the success of the generated potentials in high-temperature simulations. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000976615200001 |
Publication Date |
2023-04-19 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2040-3364; 2040-3372 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.7 |
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 6.7; 2023 IF: 7.367 |
| Call Number |
UA @ admin @ c:irua:196722 |
Serial |
8873 |
| Permanent link to this record |
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| |
| Author |
Kocabas, T.; Cakir, D.; Sevik, C. |
| Title |
First-principles discovery of stable two-dimensional materials with high-level piezoelectric response |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Journal Of Physics-Condensed Matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
33 |
Issue |
11 |
Pages |
115705 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The rational design of two-dimensional (2D) piezoelectric materials has recently garnered great interest due to their increasing use in technological applications, including sensor technology, actuating devices, energy harvesting, and medical applications. Several materials possessing high piezoelectric response have been reported so far, but a high-throughput first-principles approach to estimate the piezoelectric potential of layered materials has not been performed yet. In this study, we systematically investigated the piezoelectric (e(11), d(11)) and elastic (C-11 and C-12) properties of 128 thermodynamically stable 2D semiconductor materials by employing first-principle methods. Our high-throughput approach demonstrates that the materials containing Group-V elements produce significantly high piezoelectric strain constants, d(11) > 40 pm V-1, and 49 of the materials considered have the e(11) coefficient higher than MoS2 insomuch as BrSSb has one of the largest d(11) with a value of 373.0 pm V-1. Moreover, we established a simple empirical model in order to estimate the d(11) coefficients by utilizing the relative ionic motion in the unit cell and the polarizability of the individual elements in the compounds. |
| 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 |
000605852800001 |
Publication Date |
2020-12-15 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.649 |
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 2.649 |
| Call Number |
UA @ admin @ c:irua:193761 |
Serial |
7971 |
| Permanent link to this record |
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| |
| Author |
Kocabas, T.; Cakir, D.; Gulseren, O.; Ay, F.; Perkgoz, N.K.; Sevik, C. |
| Title |
A distinct correlation between the vibrational and thermal transport properties of group VA monolayer crystals |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
Nanoscale |
Abbreviated Journal |
|
| Volume |
10 |
Issue |
16 |
Pages |
7803-7812 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
The investigation of thermal transport properties of novel two-dimensional materials is crucially important in order to assess their potential to be used in future technological applications, such as thermoelectric power generation. In this respect, the lattice thermal transport properties of the monolayer structures of group VA elements (P, As, Sb, Bi, PAs, PSb, PBi, AsSb, AsBi, SbBi, P3As1, P3Sb1, P1As3, and As3Sb1) with a black phosphorus like puckered structure were systematically investigated by first-principles calculations and an iterative solution of the phonon Boltzmann transport equation. Phosphorene was found to have the highest lattice thermal conductivity, , due to its low average atomic mass and strong interatomic bonding character. As a matter of course, anisotropic was obtained for all the considered materials, owing to anisotropy in frequency values and phonon group velocities calculated for these structures. However, the determined linear correlation between the anisotropy in the values of P, As, and Sb is significant. The results corresponding to the studied compound structures clearly point out that thermal (electronic) conductivity of pristine monolayers might be suppressed (improved) by alloying them with the same group elements. For instance, the room temperature of PBi along the armchair direction was predicted to be as low as 1.5 W m(-1) K-1, whereas that of P was predicted to be 21 W m(-1) K-1. In spite of the apparent differences in structural and vibrational properties, we peculiarly revealed an intriguing correlation between the values of all the considered materials as = c(1) + c(2)/m(2), in particular along the zigzag direction. Furthermore, our calculations on compound structures clearly showed that the thermoelectric potential of these materials can be improved by suppressing their thermal properties. The presence of ultra-low values and high electrical conductivity (especially along the armchair direction) makes this class of monolayers promising candidates for thermoelectric applications. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000431030000054 |
Publication Date |
2018-03-22 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2040-3364; 2040-3372 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:193785 |
Serial |
7388 |
| Permanent link to this record |
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| |
| Author |
Klepka, M.; Lawniczak-Jablonska, K.; Jablonski, M.; Wolska, A.; Minikayev, R.; Paszkowicz, W.; Przepiera, A.; Spolnik, Z.; Van Grieken, R. |
| Title |
Combined XRD, EPMA and X-ray absorption study of mineral ilmenite used in pigments production |
Type |
A1 Journal article |
| Year |
2005 |
Publication |
Journal of alloys and compounds |
Abbreviated Journal |
|
| Volume |
401 |
Issue |
1/2 |
Pages |
281-288 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000232267700050 |
Publication Date |
2005-05-24 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
|
Edition |
|
| ISSN |
0925-8388 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:54562 |
Serial |
7682 |
| Permanent link to this record |
| |
|
| |
| Author |
Klaassen, L.; van der Snickt, G.; Legrand, S.; Higgitt, C.; Spring, M.; Vanmeert, F.; Rosi, F.; Brunetti, B.G.; Postec, M.; Janssens, K. |
| Title |
Characterization and removal of a disfiguring oxalate crust on a large altarpiece by Hans Memling |
Type |
H1 Book chapter |
| Year |
2019 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
263-282
T2 - Metal soaps in art / Casadio, F. [edi |
| Keywords |
H1 Book chapter; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES) |
| Abstract |
During the conservation treatment of Memling’s Christ with Singing and Music-making Angels, three panel paintings that are among the most monumental works in early Netherlandish art, the conservators came across insoluble surface layers containing calcium oxalates. A very thin and irregular layer of this type, hardly visible to the naked eye, was spread across the surface of all three panels. A much thicker layer forming an opaque and highly disfiguring crust that obscured the composition (Figs. 15.1 and 15.7) was locally present on areas of dark copper-containing paint, where multiple layers of old discolored coatings and accretions remained in place before the most recent cleaning. This article describes the application of a wide range of analytical techniques in order to fully understand the stratigraphy and composition of the crusts on the Memling paintings. FTIR spectroscopy in transmission and reflection mode, micro-ATR-FTIR imaging and macro-rFTIR scanning, SEM-EDX, mobile XRD, and SR-μXRD showed that the crusts contained two related Ca-based oxalate salts, whewellite and weddellite, and were separated from the original paint surface by varnish, indicating that they did not originate from degradation of the original paint but from a combination of microbial action and a thick accumulation of dirt. Supported by the results from these different analytical techniques, which when used together proved to be very effective in providing complementary information that addressed this specific conservation problem, and aided by the presence of the intermediate varnish layer(s), the conservators were able to remove most of the crusts with spectacular results. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
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Publication Date |
2019-03-23 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
978-3-319-90616-4 |
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:190778 |
Serial |
7609 |
| Permanent link to this record |
| |
|
| |
| Author |
Kishore, V.V.R. |
| Title |
Electronic structure of core-shell nanowires |
Type |
Doctoral thesis |
| Year |
2013 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Antwerpen |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:105035 |
Serial |
1013 |
| Permanent link to this record |
| |
|
| |
| Author |
Kirkpatrick, S.; Sanyova, J.; Janssens, K.; van der Snickt, G. |
| Title |
The synergistic influence of metal cations on the drying and viscosity of linseed oil assessed by means of model samples containing synthesised metal carboxylates |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Heritage science |
Abbreviated Journal |
|
| Volume |
12 |
Issue |
1 |
Pages |
209-215 |
| Keywords |
A1 Journal article; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS) |
| Abstract |
The recent multi-analytical study carried out on the Van Eyck's Ghent Altarpiece showed the simultaneous presence of several kinds of metal carboxylates in oil-rich glaze layers. This outcome raised the question whether these carboxylates had already formed during the preparation of the oil binder by the artists. In the case of early-stage formation, they may have had an impact on the drying rate of the resulting oil, as well as on its handling properties. This hypothesis was investigated using a model system of in-house-prepared linseed oil containing incremental concentrations (2-5-10 wt.%) of relevant metal carboxylates (i.e. Ca-, Zn-, Cu-, and Pb oleates and stearates). This paper describes the influence of these type of molecules on the drying rate of linseed oil and, to an extent, on its viscosity. The drying time of the linseed oil, to which one or more metal carboxylates were added, was measured with a drying recorder while the viscosity was assessed with a rheometer. When introduced together, some of these metal carboxylates act in synergy to shorten the drying time with respect to the situation when the same metal carboxylates were added separately to linseed oil. Mixtures of Ca- and Zn-oleates proved to have a larger effect than other binary combinations. Addition of two metal oleates (combination of Ca/Zn/Cu/Pb) reduced the drying time even more. On the other hand, specific combinations of three metal stearates and/or oleates also demonstrated a significant synergistic effect towards increasing the viscosity of the binder. Especially combinations of Ca/Zn/Cu and Ca/Zn/Pb stearates and oleates gave rise to the highest level of linseed oil viscosity increase, when compared to the situation in which the same metal carboxylates were added separately. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
|
Wos |
001249638200003 |
Publication Date |
2024-06-18 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2050-7445 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
2.5 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.5; 2024 IF: NA |
| Call Number |
UA @ admin @ c:irua:206484 |
Serial |
9322 |
| Permanent link to this record |
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|
| |
| Author |
Kirilenko, D. |
| Title |
Characterization of graphene by electron diffraction |
Type |
Doctoral thesis |
| Year |
2012 |
Publication |
|
Abbreviated Journal |
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| Volume |
|
Issue |
|
Pages |
|
| Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Antwerpen |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
|
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:98834 |
Serial |
323 |
| Permanent link to this record |
| |
|
| |
| Author |
Kips, R.; Pidduck, A.J.; Houlton, M.R.; Leenaers, A.; Mace, J.D.; Marie, O.; Pointurier, F.; Stefaniak, E.A.; Taylor, P.D.P.; van den Berghe, S.; van Espen, P.; Van Grieken, R.; Wellum, R. |
| Title |
Determination of fluorine in uranium oxyfluoride particles as an indicator of particle age |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Spectrochimica acta: part B : atomic spectroscopy |
Abbreviated Journal |
|
| Volume |
64 |
Issue |
3 |
Pages |
199-207 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3) |
| Abstract |
As swipe samples from enrichment activities typically contain uranium particles with a detectable amount of fluorine, the question was raised whether the analysis of fluorine in particles could complement the information on the uranium isotope ratios. For this, uranium oxyfluoride particles were prepared from the controlled hydrolysis of uranium hexafluoride (UF6). The relative amount of fluorine was characterized by scanning electron microscopy combined with energy-dispersive X-ray spectrometry (SEM-EDX), as well as ion-microprobe secondary ion mass spectrometry (IM-SIMS). Of particular interest was the assessment of the reduction of the amount of fluorine over time, and after exposure to UV-light and high temperatures. Micro-Raman spectrometry (MRS) was applied to look for differences in molecular structure between these various sample types. Both SEM-EDX and IM-SIMS showed a general reduction of the fluorine-to-uranium ratio after 12 years of storage. The exposure to UV-light and high temperatures was found to have accelerated the loss of fluorine. A distinct peak at 865 cm− 1 Raman shift was detected for the majority of particles analyzed by MRS. For the particles that were heat-treated, the Raman spectra were similar to the spectrum of U3O8. Although often large variations were observed between particles from the same sample, the three particle measurement techniques (IM-SIMS, SEM-EDX and MRS) showed some consistent trends. They therefore appear promising in terms of the ability to place bounds on particle age, as well as shedding light on the complex processes involved in UO2F2 particle ageing. |
| 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 |
000265755600002 |
Publication Date |
2008-12-25 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0584-8547; 1873-3565 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:77057 |
Serial |
7780 |
| Permanent link to this record |
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| |
| Author |
Kindratenko, V.V.; van Espen, P.J.M.; Treiger, B.A.; Van Grieken, R.E. |
| Title |
Fractal dimensional classification of aerosol particles by computer-controlled scanning electron microscopy |
Type |
A1 Journal article |
| Year |
1994 |
Publication |
Environmental science and technology |
Abbreviated Journal |
|
| Volume |
28 |
Issue |
|
Pages |
2197-2202 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3) |
| Abstract |
|
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
A1994PP82900033 |
Publication Date |
2007-05-30 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0013-936x; 1520-5851 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:9497 |
Serial |
7983 |
| Permanent link to this record |
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| |
| Author |
Kim, E.; Spooren, J.; Broos, K.; Nielsen, P.; Horckmans, L.; Vrancken, K.C.; Quaghebeur, M. |
| Title |
New method for selective Cr recovery from stainless steel slag by NaOCl assisted alkaline leaching and consecutive BaCrO4 precipitation |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
|
| Volume |
295 |
Issue |
|
Pages |
542-551 |
| Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
A new hydrometallurgical method was investigated for selective leaching of chromium from stainless steel slag (SS slag) consisting of temperature controlled extraction with NaOH in the presence of NaOCl, followed by water leaching. After parameter optimization of the NaOCl-NaOH extraction step, a selective Cr leaching of 68% was reached, while dissolution of matrix materials was low (Al 0.3%, Ca 2.0%, Si 0.4%). The optimum conditions for the investigated system are: 105 degrees C, 6 h, SS slag particle size <63 mu m, mass ratio of NaOH to SS slag 0.13, and 3.3 mmol NaOCl to 1 g SS slag. The described oxidative alkaline leaching process by hypochlorite enables selective recovery of Cr at a significantly lower temperature and required amount of alkaline agent than molten salt or alkaline roasting processes. BaCrO4 was precipitated to purify and concentrate Cr from the leachate in which also minor amounts of Mn and V were present. This method allowed for a 99.9% Cr recovery rate. The obtained leaching residue shows no alterations of the SS slag's mineralogy with respect to untreated material. Therefore, a known carbonation treatment of the slag can be applied to prepare novel construction materials with a lowered Cr content. (C) 2016 Elsevier B.V. All rights reserved. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
|
| Language |
|
Wos |
000375507300059 |
Publication Date |
2016-03-22 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1385-8947; 1873-3212 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:133632 |
Serial |
8302 |
| Permanent link to this record |
| |
|
| |
| Author |
Kim, E.; Spooren, J.; Broos, K.; Nielsen, P.; Horckmans, L.; Geurts, R.; Vrancken, K.C.; Quaghebeur, M. |
| Title |
Valorization of stainless steel slag by selective chromium recovery and subsequent carbonation of the matrix material |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Journal of cleaner production |
Abbreviated Journal |
|
| Volume |
117 |
Issue |
|
Pages |
221-228 |
| Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
This study focuses on the recycling of stainless steel (SS) slags containing about 1.2 wt% of chromium (Cr). The selective recovery of Cr from SS slag by a hydrometallurgical method (alkaline pressure leaching) was investigated. Leaching experiments were carried out based on 2(4-1) factorial design of experiment (DOE) with the following parameters: NaOH concentration, temperature, leaching time, and mechanical activation (MA). Results show that temperature and MA are the most influencing factors for an enhanced Cr leaching. The maximum Cr leaching was 46% at 1 M NaOH, 240 degrees C, 6 h, MA 30 min, while the matrix material was dissolved only to a limited extent (Al 2.88%, Si 0.12%, Ca 0.05%). After Cr leaching followed by alkali washing, a carbonation treatment is proposed to stabilize the remaining Cr in the matrix material and make the subsequent recycling of the matrix material as a construction material possible. (C) 2016 Elsevier Ltd. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000371552200025 |
Publication Date |
2016-01-23 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0959-6526 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:132432 |
Serial |
8731 |
| Permanent link to this record |
| |
|
| |
| Author |
Kim, E.; Spooren, J.; Broos, K.; Horckmans, L.; Quaghebeur, M.; Vrancken, K.C. |
| Title |
Selective recovery of Cr from stainless steel slag by alkaline roasting followed by water leaching |
Type |
A1 Journal article |
| Year |
2015 |
Publication |
Hydrometallurgy |
Abbreviated Journal |
|
| Volume |
158 |
Issue |
|
Pages |
139-148 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Selective chromium (Cr) leaching from stainless steel slag (SS slag) by alkali roasting followed by water leaching was investigated. The efficiency of the alkali roasting process for Cr leaching was increased by optimizing the mass ratio of alkaline agents (NaOH, and NaOH-NaNO3) to the slag, roasting temperature and time. At the optimum condition (0.67 mass ratio of NaOH to SS slag, 400 degrees C, 2 h) of NaOH roasting, chromium leaching was around 83%, while the matrix material was dissolved only to a limited extent (Si 8.0%). Mechanical activation of the SS slag prior to roasting reduced the optimum NaOH to SS slag mass ratio to 0.4. The addition of NaNO3 as an oxidant to the NaOH salt increased Cr leaching to 89% after roasting at 400 degrees C for 2 h. The remaining Cr phases in the residue were almost exclusively FeCr alloys. Further chromium dissolution from these alloys is prevented by a passivation layer of Fe oxides as shown by SEM/EDS images. Based on these results, a SS slag recycling process is suggested in which roasting-water leaching followed by water washing to remove Cr yields a residue which has potential for application as a construction material. (C) 2015 Elsevier B.V. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000366768000019 |
Publication Date |
2015-11-02 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0304-386x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:130223 |
Serial |
8504 |
| Permanent link to this record |
| |
|
| |
| Author |
Kim, E.; Roosen, J.; Horckmans, L.; Spooren, J.; Broos, K.; Binnemans, K.; Vrancken, K.C.M.; Quaghebeur, M. |
| Title |
Process development for hydrometallurgical recovery of valuable metals from sulfide-rich residue generated in a secondary lead smelter |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Hydrometallurgy |
Abbreviated Journal |
|
| Volume |
169 |
Issue |
|
Pages |
589-598 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Two routes were investigated to selectively recover lead and minor metals (Cu, Ni, Zn) from a sulfide-rich lead smelter residue, matte. The first route comprises a two-step leaching process that combines Fe(III)-HNO3 leaching with roasting, followed by water leaching. In the first step, the efficiency of Pb leaching was 90% at the optimum condition (L/S ratio 8, 0.5 mol.L-1 HNO3, 0.15 mol.L-1 Fe(III), 25 degrees C). In the second step, roasting at 600 degrees C followed by water leaching at 50 degrees C selectively leached Ni, Cu, and Zn while fully converting iron sulfides to oxides. One-step oxidative pressure leaching in HNO3 was investigated as an alternative to simultaneously leach Pb, Cu, Ni and Zn. At the optimal conditions (130 degrees C, 60 min, 0.3 mol.L-1 HNO3, 0.07 mol.L-1 Fe(III), L/S ratio 20), Pb, Cu, Zn and Ni leaching were 92, 60, 70 and 66%, respectively, while Fe leaching remained low (2%). The leachates obtained from both leaching routes were treated by ion-exchange adsorption with diethylenetriaminepentaacetic acid (DTPA) functionalized chitosan-silica hybrid materials to investigate the selective recovery of Cu, Zn and Ni. The adsorption order appeared to be in the same order as the corresponding stability constants for complexes between the respective metal ions and free DTPA: Ca(II) < Zn(II) < Pb (II) approximate to Ni(II) < Cu(II). This allows not only to selectively recover Cu, Zn and Ni from the leachates, but also to mutually separate them by using the functionalized resin as a stationary phase in column chromatography. To avoid adsorbent contamination, Fe(III) and Pb(II) may be removed from the leachates in a pre-treatment step. Based on these results, the investigated methods can be combined as process steps of two possible routes for the selective recovery of valuable metals from the studied secondary lead smelting residue. The two-step leaching process seems to be superior since a more concentrated solution of Cu, Ni, and Zn is produced in the 2nd leaching step with low capital cost. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000401878200070 |
Publication Date |
2017-04-03 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0304-386x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:144300 |
Serial |
8414 |
| Permanent link to this record |
| |
|
| |
| Author |
Kim, E.; Horckmans, L.; Spooren, J.; Vrancken, K.C.; Quaghebeur, M.; Broos, K. |
| Title |
Selective leaching of Pb, Cu, Ni and Zn from secondary lead smelting residues |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Hydrometallurgy |
Abbreviated Journal |
|
| Volume |
169 |
Issue |
|
Pages |
372-381 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Several HNO3-based leaching approaches were tested and optimized to selectively recover Pb and other minor metals (Cu, Ni, Zn) from secondary lead smelter residues (i.e., slag and matte). Firstly, the leaching behaviors of Pb and the matrix element Fe were studied at atmospheric pressure in the temperature range 25-70 degrees C. These elements were present in both materials studied as sulfide and oxide phases. For the sulfur-rich matte residue, the Pb leaching increased from 63% to 69% upon increasing the HNO3 concentration from 0.2 M to 0.5 M. However, by adding Fe(III) as an oxidation agent, Pb leaching from the matte amounted to 90% at 25 degrees C. At a higher temperature, Pb leaching was reduced due to PbSO4 precipitation. In this process, Cu, Zn and Ni leaching was insignificant. For the slag residue, HNO3 could not leach Pb (0.03% Pb leached), while Fe leaching was 19.8% due to a galvanic effect. However, Pb leaching of the slag was 82% in the presence of additional Fe(III). Secondly, to enhance leaching of the other base metals (Cu, Zn and Ni) from the matte, roasting followed by water leaching and (microwave assisted or autoclave) pressurized leaching in 0.5 M HNO3 were applied. During roasting, the FeS phase converted to Fe2O3 above 500 degrees C, and PbS and Pb phases were transformed into insoluble PbSO4 above 400 degrees C. Cu, Ni and Zn leaching was drastically enhanced by a roasting step at 600 degrees C followed by leaching with 0.5 M HNO3 at 50 degrees C, or by pressurized HNO3 leaching above 130 degrees C, whereby Pb leaching almost ceased due to PbSO4 precipitation. During the roasting above 600 degrees C, or microwave assisted extraction (MAE) at 160 degrees C for 15 min, FeS was completely converted to iron oxides that can be used as raw material for pig iron production. Based on the results, the methods investigated can be combined as process steps of two possible routes for the selective recovery of valuable metals and the production of a clean source of Fe oxides from the secondary lead smelting residues studied. (C) 2017 Elsevier B.V. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000401878200045 |
Publication Date |
2017-03-02 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0304-386x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:144299 |
Serial |
8503 |
| Permanent link to this record |
| |
|
| |
| Author |
Kim, E.; Horckmans, L.; Spooren, J.; Broos, K.; Vrancken, K.C.M.; Quaghebeur, M. |
| Title |
Recycling of a secondary lead smelting matte by selective citrate leaching of valuable metals and simultaneous recovery of hematite as a secondary resource |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Hydrometallurgy |
Abbreviated Journal |
|
| Volume |
169 |
Issue |
|
Pages |
290-296 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Anew recycling process, according to the zero-waste concept, was investigated for an iron rich waste stream, more specifically a secondary lead smelting matte. The process consists of a selective citrate leaching of Pb, Cu, Ni and Zn in combination with a roasting step, leading to a simultaneous recovery of hematite as a secondary iron resource. The parameters, such as leaching time, leaching temperature, H2O2 concentration and roasting temperature, were experimentally optimized. The maximum Pb leaching efficiency was 93% and the leachability of Cu (33%) and Zn (11%) increased slightly in the presence of 0.5 M H2O2 in 1 M citrate at 25 degrees C and pH 5.5. Importantly, almost no Fe was leached (< 0.6%) from the iron rich matrix material at this condition allowing for a maximal recovery of hematite as a secondary resource after further treatment (i.e. roasting or sulfur removal). The leachability of Pb, Cu, Ni and Zn was strongly affected by the roasting temperature. Maximum leaching efficiency in 1 M citrate (25 degrees C, L/S ratio 10, pH 6.5) was 93% for Pb, 80% for Cu and 60% for Zn at a roasting temperature of 600 degrees C, while for Ni the maximum leaching efficiency of 53% was reached after roasting at 650 degrees C. Furthermore, when oxidative roasting was applied, the leaching residue consists dominantly of hematite (Fe2O3) with minor quantities of PbSO4, which can be used as pig iron ore (Fe > 60 wt%). (C) 2017 Elsevier B.V. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000401878200035 |
Publication Date |
2017-02-14 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0304-386x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:144298 |
Serial |
8463 |
| Permanent link to this record |
| |
|
| |
| Author |
Khazaei, M.; Wang, V.; Sevik, C.; Ranjbar, A.; Arai, M.; Yunoki, S. |
| Title |
Electronic structures of iMAX phases and their two-dimensional derivatives: A family of piezoelectric materials |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
Physical review materials |
Abbreviated Journal |
|
| Volume |
2 |
Issue |
7 |
Pages |
074002 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Recently, a group of MAX phases, (Mo2/3Y1/3)(2)AlC, (Mo2/3Sc1/3)(2)AlC, (W2/3Sc1/3)(2)AlC,(W2/3Y1/3)(2)AlC, and (V-2/3 Zr-1/3)(2)AlC, with in-plane ordered double transition metals, named iMAX phases, have been synthesized. Experimentally, some of these MAX phases can be chemically exfoliated into two-dimensional (2D) single- or multilayered transition metal carbides, so-called MXenes. Accordingly, the 2D nanostructures derived from iMAX phases are named iMXenes. Here we investigate the structural stabilities and electronic structures of the experimentally discovered iMAX phases and their possible iMXene derivatives. We show that the iMAX phases and their pristine, F, or OH-terminated iMXenes are metallic. However, upon 0 termination, (Mo2/3Y1/3)(2)C, (Mo2/3Sc1/3)(2)C, (W2/3Y1/3)(2)C, and (W2/3Sc1/3)(2)C iMXenes turn into semiconductors. Owing to the absence of centrosymmetry, the semiconducting iMXenes may find applications in piezoelectricity. Our calculations reveal that the semiconducting iMXenes possess giant piezoelectric coefficients as large as 45 x 10(-)(10) C/m. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000438354500001 |
Publication Date |
2018-07-12 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:193791 |
Serial |
7876 |
| Permanent link to this record |
| |
|
| |
| Author |
Khan, S.U.; Trashin, S.; Beltran, V.; Korostei, Y.S.; Pelmus, M.; Gorun, S.M.; Dubinina, T., V.; Verbruggen, S.W.; De Wael, K. |
| Title |
Photoelectrochemical behavior of phthalocyanine-sensitized TiO₂ in the presence of electron-shuttling mediators |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
| Volume |
94 |
Issue |
37 |
Pages |
12723-12731 |
| Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
| Abstract |
Dye-sensitized TiO(2 )has found many applications for dye sensitized solar cells (DSSC), solar-to-chemical energy conversion, water/air purification systems, and (electro)chemical sensors. We report an electrochemical system for testing dye-sensitized materials that can be utilized in photoelectrochemical (PEC) sensors and energy conversion. Unlike related systems, the reported system does not require a direct electron transfer from semiconductors to electrodes. Rather, it relies on electron shuttling by redox mediators. A range of model photocatalytic materials were prepared using three different TiO2 materials (P25, P90, and PC500) and three sterically hindered phthalocyanines (Pcs) with electron-rich tert-butyl substituents (t-Bu4PcZn, t-Bu4PcAlCl, and t-Bu4PcH2). The materials were compared with previously developed TiO(2 )modified by electron-deficient, also sterically hindered fluorinated phthalocyanine F64PcZn, a singlet oxygen (O-1(2)) producer, as well as its metal-free derivative, F64PcH2. The PEC activity depended on the redox mediator, as well as the type of TiO2 and Pc. By comparing the responses of one-electron shuttles, such as K4Fe(CN)(4), and O-1(2)-reactive electron shuttles, such as phenol, it is possible to reveal the action mechanism of the supported photosensitizers, while the overall activity can be assessed using hydroquinone. t-Bu4PcAlCl showed significantly lower blank responses and higher specific responses toward chlorophenols compared to t-Bu4PcZn due to the electron-withdrawing effect of the Al3+ metal center. The combination of reactivity insights and the need for only microgram amounts of sensing materials renders the reported system advantageous for practical applications. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000855284300001 |
Publication Date |
2022-09-12 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-2700; 5206-882x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
7.4 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 7.4 |
| Call Number |
UA @ admin @ c:irua:190602 |
Serial |
7190 |
| Permanent link to this record |
| |
|
| |
| Author |
Khan, S.U.; Matshitse, R.; Borah, R.; Nemakal, M.; Moiseeva, E.O.; Dubinina, T.V.; Nyokong, T.; Verbruggen, S.W.; De Wael, K. |
| Title |
Coupling of phthalocyanines with plasmonic gold nanoparticles by click chemistry for an enhanced singlet oxygen based photoelectrochemical sensing |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
ChemElectroChem |
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
1-11 |
| Keywords |
A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab); Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS) |
| Abstract |
Coupling photosensitizers (PSs) with plasmonic nanoparticles increases the photocatalytic activity of PSs as the localized surface plasmon resonance (LSPR) of plasmonic nanoparticles leads to extreme concentration of light in their vicinity known as the near-field enhancement effect. To realize this in a colloidal phase, efficient conjugation of the PS molecules with the plasmonic nanoparticle surface is critical. In this work, we demonstrate the coupling of phthalocyanine (Pc) molecules with gold nanoparticles (AuNPs) in the colloidal phase via click chemistry. This conjugated Pc-AuNPs colloidal system is shown to enhance the photocatalytic singlet oxygen (1O2) production over non-conjugated Pcs and hence improve the photoelectrochemical detection of phenols. The plasmonic enhancement of the 1O2 generation by Pcs was clearly elucidated by complementary experimental and computational classical electromagnetic models. The dependence of plasmonic enhancement on the spectral position of the excitation laser wavelength and the absorbance of the Pc molecules with respect to the wavelength specific near-field enhancement is clearly demonstrated. A high similar to 8 times enhancement is obtained with green laser (532 nm) at the LSPR due to the maximum near-field enhancement at the resonance wavelength. Zinc phthalocyanine is covalently linked to plasmonic AuNPs via click chemistry to investigate the synergistic effect that boosts the overall activity toward the detection of HQ under visible light illumination. The 1O2 quantum yield of ZnPc improved significantly after conjugating with AuNPs, resulting in enhanced photoelectrochemical activity. image |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
|
Wos |
001214481000001 |
Publication Date |
2024-05-02 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2196-0216 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
4 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4; 2024 IF: 4.136 |
| Call Number |
UA @ admin @ c:irua:205962 |
Serial |
9142 |
| Permanent link to this record |
| |
|
| |
| Author |
Khan, S.U. |
| Title |
Singlet oxygen-based photoelectrocatalysis : from photosensitizer structures to plasmonic enhancement |
Type |
Doctoral thesis |
| Year |
2023 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
182 p. |
| Keywords |
Doctoral thesis; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
| Abstract |
Singlet molecular oxygen (1O2) has continuously attracted researchers' interest because of its involvement in various processes, such as in photodynamic reactions in biological and chemical systems. 1O2 is an effective electrophile and potent oxidizing agent and can be easily generated by photosensitization via the illumination of organic dyes with visible light. As described in Chapter 1, 1O2 has gained prominence in various applications such as wastewater treatment, photodynamic therapy of cancer, organic synthesis, and recently developed 1O2-based photoelectrochemical (PEC) sensing of phenolic compounds. Phenolic compounds are a potential source of contaminants that originates from industrial effluents and waste products of chemical and pharmaceutical industries. These phenolic compounds pose severe threats to humans and aquatic life after reaching the environment. Therefore, it is imperative to develop photoactive materials that efficiently generate 1O2 and oxidize phenolic compounds and antibiotics. The existing 1O2 generating photosensitizers (PSs) include porphyrins, phthalocyanines (Pcs), subphthalocyanines (SubPcs), and other dyes such as derivatives of xanthene (e.g., Rose Bengal (RB)), and fluorinated boron-dipyrromethene (BODIPYs), and phenothiazinium dyes (e. g. Methylene Blue (MB)) which display long-lived triplet excited state and can be used in 1O2-based applications. This thesis focuses on preparing efficient hybrid materials based on newly synthesized Pcs, different surface area titanium dioxide (TiO2) and plasmonic gold nanoparticles (AuNPs) for their use in the PEC detection of phenolic compounds. The first focus was on developing a fast amperometric method to test the photo-electrocatalytic activity of 1O2 producing PSs dissolved in MeOH based on the redox cycling of an electroactive phenolic compound, hydroquinone (HQ) (Chapter 2). This method of testing PSs does not require the accumulation of a reaction product since the amperometric signal develops near instantly when the light is on, which enables dynamic monitoring of a PSs activity at varying conditions in a single experiment. This method was crucial to measure high 1O2 quantum yield and low yield in the same experimental conditions. Moreover, the obtained results revealed a range of working parameters affecting the PEC activity of PSs. The next goal was to immobilize tert-butyl substituted aluminum Pc (t-BuPcAlCl) on the solid support, which showed a high 1O2 quantum yield. However, before immobilizing Pc on a solid support such as TiO2, it is essential to know the electronic energy level of Pcs for the possible electron transfers from Pcs to TiO2. Therefore, Chapter 3 explored the (spectro)electrochemical properties of t-BuPcAlCl Pc. Next, in Chapter 4, t-BuPcAlCl Pc and other tert-butyl substituted Pcs with Zn central metal, t-BuPcZn, and its metal-free derivative t-BuPcH2 were immobilized on different surface area TiO2. The PEC activity of immobilized Pcs on TiO2 toward different phenols and antibiotics was studied, and the action mechanism was revealed and compared with sterically hindered fluorinated Pc F64PcZn. In the final part of this thesis plasmonic AuNPs were introduced combined with trimethylsilane-protected acetylene functionalized ZnPc (TMSZnPc) to study the synergistic effect that boosts the overall activity toward the detection of phenols under visible light illumination (Chapter 5) . The TMSZnPc was coupled with AuNPs via a click chemistry approach. The 1O2 quantum yield of TMSZnPc improved significantly after conjugating with AuNPs, and, subsequently, the PEC activity for detecting HQ. The theoretical and experimental investigation demonstrated that the plasmonic enhancement of TMSZnPc is driven by the near-field mechanism. This shows the importance of plasmonic AuNPs with other photoactive species for their use in 1O2-based applications. The fundamental knowledge obtained in this doctoral study will ultimately deepen the understanding of developing 1O2-based PEC sensors for detecting phenolic compounds and pharmaceuticals in the wastewater stream, helping to choose efficient materials and, in the last instance, a more sustainable future especially access to clean water for everyone. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
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Publication Date |
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| Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
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Edition |
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| ISSN |
|
ISBN |
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Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:193342 |
Serial |
7337 |
| Permanent link to this record |
| |
|
| |
| Author |
Khalilov, U.; Uljayev, U.; Mehmonov, K.; Nematollahi, P.; Yusupov, M.; Neyts, E.C.; Neyts, E.C. |
| Title |
Can endohedral transition metals enhance hydrogen storage in carbon nanotubes? |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
International journal of hydrogen energy |
Abbreviated Journal |
|
| Volume |
55 |
Issue |
|
Pages |
640-610 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Modelling and Simulation in Chemistry (MOSAIC); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The safe and efficient use of hydrogen energy, which is in high demand worldwide today, requires efficient hydrogen storage. Despite significant advances in hydrogen storage using carbon-based nanomaterials, including carbon nanotubes (CNTs), efforts to substantially increase the storage capacity remain less effective. In this work, we demonstrate the effect of endohedral transition metal atoms on the hydrogen storage capacity of CNTs using reactive molecular dynamics simulations. We find that an increase in the volume fraction of endohedral nickel atoms leads to an increase in the concentration of physisorbed hydrogen molecules around single-walled CNTs (SWNTs) by approximately 1.6 times compared to pure SWNTs. The obtained results provide insight into the underlying mechanisms of how endohedral transition metal atoms enhance the hydrogen storage ability of SWNTs under nearly ambient conditions. |
| Address |
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| Corporate Author |
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Thesis |
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Place of Publication |
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Editor |
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| Language |
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Wos |
001142427400001 |
Publication Date |
2023-11-24 |
| 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 |
0360-3199 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
7.2 |
Times cited |
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Open Access |
Not_Open_Access |
| Notes |
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Approved |
Most recent IF: 7.2; 2024 IF: 3.582 |
| Call Number |
UA @ admin @ c:irua:202315 |
Serial |
9006 |
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| Author |
Khalilov, U. |
| Title |
New perspectives on thermal and hyperthermal oxidation of Si surfaces |
Type |
Doctoral thesis |
| Year |
2013 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
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| Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Antwerpen |
Editor |
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| Language |
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Wos |
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Publication Date |
0000-00-00 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:106141 |
Serial |
2333 |
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| Author |
Khalil, I.; Rigamonti, M.G.; Janssens, K.; Bugaev, A.; Arenas Esteban, D.; Robijns, S.; Donckels, T.; Beydokhti, M.T.; Bals, S.; De Vos, D.; Dusselier, M. |
| Title |
Atomically dispersed ruthenium hydride on beta zeolite as catalysts for the isomerization of muconates |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Nature Catalysis |
Abbreviated Journal |
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| Volume |
7 |
Issue |
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Pages |
921-933 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Searching for sustainable polymers requires access to biomass-based monomers. In that sense, glucose-derived cis,cis-muconic acid stands as a high-potential intermediate. However, to unlock its potential, an isomerization to the value-added trans,trans-isomer, trans,trans-muconic acid, is required. Here we develop atomically dispersed low-loaded Ru on beta zeolite catalysts that produce trans,trans-muconate in ethanol with total conversion (to equilibrium) and a selectivity of >95%. We reach very high turnovers per Ru and productivity rates of 427 mM h(-1) (similar to 85 g l(-1) h(-1)), surpassing the bio-based cis,cis-muconic acid production rates by an order of magnitude. By coupling isomerization to Diels-Alder cycloaddition, terephthalate intermediates are produced in around 90% yields, circumventing the isomer equilibrium. Isomerization is promoted by Ru hydride species where the hydrides are generated from the alcohol solvent, as evidenced by Fourier transform infrared spectroscopy. Beyond isomerization, the Ru-zeolite and its hydride-forming capacity could be of use as a heterogeneous catalyst for other hydride chemistries, demonstrated by a successful hydride transfer hydrogenation. |
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Wos |
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001294 |
Publication Date |
2024-08-19 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
2520-1158 |
ISBN |
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Additional Links |
UA library record; WoS full record |
| Impact Factor |
37.8 |
Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: 37.8; 2024 IF: NA |
| Call Number |
UA @ admin @ c:irua:207521 |
Serial |
9277 |
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| Author |
Khaletskaya, K. |
| Title |
Functional metal-organic frameworks : from bulk to surface engineered properties |
Type |
Doctoral thesis |
| Year |
2014 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
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| Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
| Abstract |
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| Address |
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Thesis |
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Place of Publication |
Antwerpen |
Editor |
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| Language |
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Wos |
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Publication Date |
0000-00-00 |
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Series Title |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:123904 |
Serial |
1301 |
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| Author |
Keulemans, M. |
| Title |
Study of electron transfer processes in plasmonic photocatalysis |
Type |
Doctoral thesis |
| Year |
2017 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
170 p. |
| Keywords |
Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Edition |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
no |
| Call Number |
UA @ admin @ c:irua:147504 |
Serial |
8596 |
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| Author |
Kerckhof, F.-M.; Sakarika, M.; Van Giel, M.; Muys, M.; Vermeir, P.; De Vrieze, J.; Vlaeminck, S.E.; Rabaey, K.; Boon, N. |
| Title |
From biogas and hydrogen to microbial protein through co-cultivation of methane and hydrogen oxidizing bacteria |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Frontiers in Bioengineering and Biotechnology |
Abbreviated Journal |
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| Volume |
9 |
Issue |
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Pages |
733753 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Increasing efforts are directed towards the development of sustainable alternative protein sources among which microbial protein (MP) is one of the most promising. Especially when waste streams are used as substrates, the case for MP could become environmentally favorable. The risks of using organic waste streams for MP production–the presence of pathogens or toxicants–can be mitigated by their anaerobic digestion and subsequent aerobic assimilation of the (filter-sterilized) biogas. Even though methane and hydrogen oxidizing bacteria (MOB and HOB) have been intensively studied for MP production, the potential benefits of their co-cultivation remain elusive. Here, we isolated a diverse group of novel HOB (that were capable of autotrophic metabolism), and co-cultured them with a defined set of MOB, which could be grown on a mixture of biogas and H2/O2. The combination of MOB and HOB, apart from the CH4 and CO2 contained in biogas, can also enable the valorization of the CO2 that results from the oxidation of methane by the MOB. Different MOB and HOB combinations were grown in serum vials to identify the best-performing ones. We observed synergistic effects on growth for several combinations, and in all combinations a co-culture consisting out of both HOB and MOB could be maintained during five days of cultivation. Relative to the axenic growth, five out of the ten co-cultures exhibited 1.1–3.8 times higher protein concentration and two combinations presented 2.4–6.1 times higher essential amino acid content. The MP produced in this study generally contained lower amounts of the essential amino acids histidine, lysine and threonine, compared to tofu and fishmeal. The most promising combination in terms of protein concentration and essential amino acid profile was Methyloparacoccus murrelli LMG 27482 with Cupriavidus necator LMG 1201. Microbial protein from M. murrelli and C. necator requires 27–67% less quantity than chicken, whole egg and tofu, while it only requires 15% more quantity than the amino acid-dense soybean to cover the needs of an average adult. In conclusion, while limitations still exist, the co-cultivation of MOB and HOB creates an alternative route for MP production leveraging safe and sustainably-produced gaseous substrates. |
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Wos |
000697897900001 |
Publication Date |
2021-09-06 |
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Series Title |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
2296-4185 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:180591 |
Serial |
7985 |
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| Author |
Keppens, E.; Roekens, E.; Van Grieken, R. |
| Title |
Effect of pollution on sandy limestones of a historical cathedral in Belgium |
Type |
P3 Proceeding |
| Year |
1985 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
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| Keywords |
P3 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Additional Links |
UA library record |
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Times cited |
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Open Access |
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Approved |
no |
| Call Number |
UA @ admin @ c:irua:117499 |
Serial |
7838 |
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| Author |
Kempenaers, L.; Vincze, L.; Vekemans, B.; Janssens, K.; Adams, F.; Somogyi, A.; Drakopoulos, M.; Simionovici, A.S. |
| Title |
Micro-heterogeneity study of trace elements in reference materials |
Type |
MA3 Book as author |
| Year |
2004 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
132 p. |
| Keywords |
MA3 Book as author; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:49217 |
Serial |
5714 |
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| Author |
Kempenaers, L.; Vincze, L.; Janssens, K. |
| Title |
The use of synchrotron micro-XRF for characterisation of the micro-heterogeneity of low-Z reference materials |
Type |
A1 Journal article |
| Year |
2000 |
Publication |
Spectrochimica acta: part B : atomic spectroscopy |
Abbreviated Journal |
Spectrochim Acta B |
| Volume |
55 |
Issue |
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Pages |
651-669 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Wos |
000087765700008 |
Publication Date |
2002-07-25 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
0584-8547; 0038-6987 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.241 |
Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: 3.241; 2000 IF: 2.608 |
| Call Number |
UA @ admin @ c:irua:28445 |
Serial |
5900 |
| Permanent link to this record |
