| Records |
| Author |
Van der Paal, J. |
| Title |
Generation, transport and molecular interactions of reactive species in plasma medicine |
Type |
Doctoral thesis |
| Year |
2019 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue  |
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Pages |
237 p. |
| Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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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 |
| Call Number |
UA @ admin @ c:irua:162591 |
Serial |
6297 |
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| Author |
Vets, C. |
| Title |
Growth properties of carbon nanomaterials : towards tuning for electronic applications |
Type |
Doctoral thesis |
| Year |
2020 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
130 p. |
| Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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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:164737 |
Serial |
6299 |
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| Author |
Chuon, S. |
| Title |
Simulation numérique multi-échelles du procédé de dépôt par pulvérisation cathodique magnétron |
Type |
Doctoral thesis |
| Year |
2019 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
137 p. |
| Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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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:166091 |
Serial |
6322 |
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| Author |
Lefrancois, P.; Girard-Sahun, F.; Badets, V.; Clement, F.; Arbault, S. |
| Title |
Electroactivity of superoxide anion in aqueous phosphate buffers analyzed with platinized microelectrodes |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Electroanalysis |
Abbreviated Journal |
Electroanal |
| Volume |
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Issue |
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Pages |
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| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The reactivity of platinized ultramicroelectrodes (Pt-black UMEs) towards superoxide anion O-2(.-), an unstable Reactive Oxygen Species (ROS), and its relatives, H2O2 and O-2, was studied. Voltammetric studies in PBS demonstrate that Pt-black UMEs provide: i) a well-resolved reversible redox signature for O-2(.-) detected in both alkaline and physiological buffers (pH 12 and 7.4); ii) irreversible oxidation and reduction waves for H2O2 at pH 7.4. The oxygen reduction reaction (ORR) at Pt-black surfaces solely yields H2O2 (2 electrons/2 H+) at physiological pH. Consequently, Pt-black UMEs allow to sense different ROS including superoxide anion for future biomedical or physico-chemical investigations. |
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Wos |
000590291800001 |
Publication Date |
2020-11-09 |
| 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 |
1040-0397 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3 |
Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: 3; 2020 IF: 2.851 |
| Call Number |
UA @ admin @ c:irua:174264 |
Serial |
6764 |
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| Author |
Vermeiren, V. |
| Title |
Chemical kinetics modeling of non-equilibrium and thermal effects in vibrationally active CO2 plasmas |
Type |
Doctoral thesis |
| Year |
2020 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
207 p. |
| Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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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 @ admin @ c:irua:173385 |
Serial |
6468 |
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| Author |
Nematollahi, P. |
| Title |
Density functional theory calculations for understanding gas conversion reactions on single metal atom embedded carbon-based nanocatalysts |
Type |
Doctoral thesis |
| Year |
2020 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
173 p. |
| Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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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 @ admin @ c:irua:169310 |
Serial |
6481 |
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| Author |
Nematollahi, P.; Neyts, E.C. |
| Title |
Direct oxidation of methane to methanol on Co embedded N-doped graphene: Comparing the role of N₂O and O₂ as oxidants |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Applied Catalysis A-General |
Abbreviated Journal |
Appl Catal A-Gen |
| Volume |
602 |
Issue |
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Pages |
117716-10 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
In this work, the effects of N-doping into the Co-doped single vacancy (Co-SV-G) and di-vacancy graphene flake (Co-dV-G) are investigated and compared toward direct oxidation of methane to methanol (DOMM) employing two different oxidants (N2O and O-2) using density functional theory (DFT) calculation. We found that DOMM on CoN3-G utilizing the N2O molecule as oxygen-donor proceeds via a two-step reaction with low activation energies. In addition, we found that although CoN3-G might be a good catalyst for methane conversion, it can also catalyze the oxidation of methanol to CO2 and H2O due to the required low activation barriers. Moreover, the adsorption behaviors of CHx (x = 0-4) species and dehydrogenation of CHx (x = 1-4) species on CoN3-G are investigated. We concluded that CoN3-G can be used as an efficient catalyst for DOMM and N-2O reduction at ambient conditions which may serve as a guide for fabricating effective C/N catalysts in energy-related devices. |
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Place of Publication |
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Wos |
000554006800046 |
Publication Date |
2020-06-27 |
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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 |
0926-860x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
5.5 |
Times cited |
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Open Access |
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| Notes |
; This work was performed with the financial support from the Doctoral Fund of the Antwerp University (NO. BOFLP33099). All the simulations are performed on resources provided by the high-performance computing center of Antwerp University. ; |
Approved |
Most recent IF: 5.5; 2020 IF: 4.339 |
| Call Number |
UA @ admin @ c:irua:171219 |
Serial |
6485 |
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| Author |
Zhang, H. |
| Title |
Optical diagnostics of spatiotemporal evolution characteristics of nanosecond laser-induced plasma in gases |
Type |
Doctoral thesis |
| Year |
2020 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
117 p. |
| Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Thesis |
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Publication Date |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:171436 |
Serial |
6572 |
| Permanent link to this record |
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| Author |
Clima, S.; Garbin, D.; Opsomer, K.; Avasarala, N.S.; Devulder, W.; Shlyakhov, I.; Keukelier, J.; Donadio, G.L.; Witters, T.; Kundu, S.; Govoreanu, B.; Goux, L.; Detavernier, C.; Afanas'ev, V.; Kar, G.S.; Pourtois, G. |
| Title |
Ovonic threshold-switching GexSey chalcogenide materials : stoichiometry, trap nature, and material relaxation from first principles |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Physica Status Solidi-Rapid Research Letters |
Abbreviated Journal |
Phys Status Solidi-R |
| Volume |
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Issue |
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Pages |
1900672 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Density functional theory simulations are used to identify the structural factors that define the material properties of ovonic threshold switches (OTS). They show that the nature of mobility-gap trap states in amorphous Ge-rich Ge50Se50 is related to Ge-Ge bonds, whereas in Se-rich Ge30Se70 the Ge valence-alternating-pairs and Se lone-pairs dominate. To obtain a faithful description of the electronic structure and delocalization of states, it is required to combine hybrid exchange-correlation functionals with large unit-cell models. The extent of localization of electronic states depends on the applied external electric field. Hence, OTS materials undergo structural changes during electrical cycling of the device, with a decrease in the population of less exothermic Ge-Ge bonds in favor of more exothermic Ge-Se. This reduces the amount of charge traps, which translates into coordination changes, an increase in mobility-gap, and subsequently changes in the selector-device electrical parameters. The threshold voltage drift process can be explained by natural evolution of the nonpreferred Ge-Ge bonds (or “chains”/clusters thereof) in Ge-rich GexSe1-x. The effect of extrinsic doping is shown for Si and N, which introduce strong covalent bonds into the system, increase both mobility-gap and crystallization temperature, and decrease the leakage current. |
| 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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Wos |
000512431100001 |
Publication Date |
2020-01-28 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1862-6254 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.8 |
Times cited |
3 |
Open Access |
|
| Notes |
; This work was carried out in the framework of the imec Core CMOS-Emerging Memory Program. Financial support from EU H2020-NMBPTO-IND-2018 project “INTERSECT” (Grant No. 814487) is acknowledged. ; |
Approved |
Most recent IF: 2.8; 2020 IF: 3.032 |
| Call Number |
UA @ admin @ c:irua:166492 |
Serial |
6575 |
| Permanent link to this record |
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| Author |
Heijkers, S. |
| Title |
Plasma chemistry modelling for CO2 and CH4 conversion in various plasma types |
Type |
Doctoral thesis |
| Year |
2020 |
Publication |
|
Abbreviated Journal |
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| Volume |
|
Issue |
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Pages |
316 p. |
| Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
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| Address |
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Thesis |
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Place of Publication |
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Wos |
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Publication Date |
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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 |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:168055 |
Serial |
6582 |
| Permanent link to this record |
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| Author |
Hollevoet, L.; Jardali, F.; Gorbanev, Y.; Creel, J.; Bogaerts, A.; Martens, J.A. |
| Title |
Towards green ammonia synthesis through plasma-driven nitrogen oxidation and catalytic reduction |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Angewandte Chemie-International Edition |
Abbreviated Journal |
Angew Chem Int Edit |
| Volume |
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Issue |
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Pages |
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| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Ammonia is an industrial large-volume chemical, with its main application in fertilizer production. It also attracts increasing attention as a green-energy vector. Over the past century, ammonia production has been dominated by the Haber-Bosch process, in which a mixture of nitrogen and hydrogen gas is converted to ammonia at high temperatures and pressures. Haber-Bosch processes with natural gas as the source of hydrogen are responsible for a significant share of the global CO(2)emissions. Processes involving plasma are currently being investigated as an alternative for decentralized ammonia production powered by renewable energy sources. In this work, we present the PNOCRA process (plasma nitrogen oxidation and catalytic reduction to ammonia), combining plasma-assisted nitrogen oxidation and lean NO(x)trap technology, adopted from diesel-engine exhaust gas aftertreatment technology. PNOCRA achieves an energy requirement of 4.6 MJ mol(-1)NH(3), which is more than four times less than the state-of-the-art plasma-enabled ammonia synthesis from N(2)and H(2)with reasonable yield (>1 %). |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000580489400001 |
Publication Date |
2020-09-21 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1433-7851; 0570-0833 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
16.6 |
Times cited |
1 |
Open Access |
|
| Notes |
; We gratefully acknowledge the financial support by the Flemish Government through the Moonshot cSBO project P2C (HBC.2019.0108). J.A.M. and A.B. acknowledge the Flemish Government for long-term structural funding (Methusalem). ; |
Approved |
Most recent IF: 16.6; 2020 IF: 11.994 |
| Call Number |
UA @ admin @ c:irua:173589 |
Serial |
6634 |
| Permanent link to this record |
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| Author |
Foumani, A.A.; Forster, D.J.; Ghorbanfekr, H.; Weber, R.; Graf, T.; Niknam, A.R. |
| Title |
Atomistic simulation of ultra-short pulsed laser ablation of metals with single and double pulses : an investigation of the re-deposition phenomenon |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Applied Surface Science |
Abbreviated Journal |
Appl Surf Sci |
| Volume |
537 |
Issue |
|
Pages |
147775 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The demand for higher throughput in the processing of materials with ultra-short pulsed lasers has motivated studies on the use of double pulses (DP). It has been observed in such studies that at relatively high time delays between the two pulses, the ablated volume is lower than that for a single pulse (SP). This has been attributed to the shielding of the second pulse and the re-deposition of the material removed by the first pulse. The investigation of re-deposition in copper with the aid of atomistic simulations is the main objective of this study. Nevertheless, a computational investigation of SP-ablation and experimental measurement of the SP-ablation depths and threshold fluence are also covered. The applied computational apparatus comprises a combination of molecular dynamics with the two-temperature model and the Helmholtz wave equation. The analysis of the simulation results shows that the derived quantities like the SP-ablation threshold fluence and the ratio of DP ablation depth to SP-ablation depth are in agreement with the experimental values. An important finding of this study is that the characteristics of the re-deposition process are highly dependent on the fluence. |
| 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 |
000582798700006 |
Publication Date |
2020-09-13 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0169-4332 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.387 |
Times cited |
2 |
Open Access |
Not_Open_Access |
| Notes |
; The authors thank the Center for High-Performance Computing at Shahid Beheshti University of Iran (SARMAD) for making available the computational resources required for this work. ; |
Approved |
Most recent IF: 3.387 |
| Call Number |
UA @ admin @ c:irua:174299 |
Serial |
6683 |
| Permanent link to this record |
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| Author |
Jafarzadeh, A. |
| Title |
First-principle studies of plasma-catalyst interactions for greenhouse gas conversion |
Type |
Doctoral thesis |
| Year |
2020 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
163 p. |
| Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
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Thesis |
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Place of Publication |
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Editor |
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Wos |
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Publication Date |
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| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:174073 |
Serial |
6765 |
| Permanent link to this record |
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| |
| Author |
Ranjbar, S. |
| Title |
Mathematical model of plasma therapy on bacterial growth |
Type |
Doctoral thesis |
| Year |
2020 |
Publication |
|
Abbreviated Journal |
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| Volume |
|
Issue |
|
Pages |
95 p. |
| 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 |
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Editor |
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Wos |
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Publication Date |
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| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:175471 |
Serial |
6768 |
| Permanent link to this record |
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| Author |
Kolev, S.; Paunska, T.; Trenchev, G.; Bogaerts, A. |
| Title |
Modeling the CO2 dissociation in pulsed atmospheric-pressure discharge |
Type |
P1 Proceeding |
| Year |
2020 |
Publication |
Technologies |
Abbreviated Journal |
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| Volume |
|
Issue |
|
Pages |
012007 |
| Keywords |
P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
CO2 dissociation and its subsequent conversion into added-value chemicals is a promising strategy for recycling CO2 gas into reusable products. One of the possible methods is direct plasma-induced dissociation. In this work we study the efficiency of CO2 dissociation in pulsed atmospheric-pressure gas discharge between two conducting electrodes by a 0-D numerical plasma model. The purpose of the study is to provide results on the optimal conditions of CO2 conversion with respect to the energy efficiency and dissociation by varying the maximum power density value and the pulse length. The power density is directly related to the discharge current and the reduced electric field in the discharge. We consider pulse lengths in the range from hundreds of nanosecond up to milliseconds. The results obtained show that the dissociation degree and energy efficiency are sensitive to the pulse length (duration) and the power density, so that a considerable improvement of the discharge performance can be achieved by fine-tuning these parameters. The study is intended to provide guidance in designing an experimental set-up and a power supply with the characteristics necessary to achieve optimal conversion. |
| 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 |
000593712900007 |
Publication Date |
2020-06-03 |
| Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| Series Volume |
1492 |
Series Issue |
|
Edition |
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| ISSN |
1742-6588; 1742-6596 |
ISBN |
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Additional Links |
UA library record; WoS full record |
| Impact Factor |
|
Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:174447 |
Serial |
6769 |
| Permanent link to this record |
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| |
| Author |
Kaliyappan, P.; Paulus, A.; D’Haen, J.; Samyn, P.; Uytdenhouwen, Y.; Hafezkhiabani, N.; Bogaerts, A.; Meynen, V.; Elen, K.; Hardy, A.; Van Bael, M.K. |
| Title |
Probing the impact of material properties of core-shell SiO₂@TiO₂ spheres on the plasma-catalytic CO₂ dissociation using a packed bed DBD plasma reactor |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Journal Of Co2 Utilization |
Abbreviated Journal |
J Co2 Util |
| Volume |
46 |
Issue |
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Pages |
101468 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Plasma catalysis, a promising technology for conversion of CO2 into value-added chemicals near room temperature, is gaining increasing interest. A dielectric barrier discharge (DBD) plasma has attracted attention due to its simple design and operation at near ambient conditions, ease to implement catalysts in the plasma zone and upscaling ability to industrial applications. To improve its main drawbacks, being relatively low conversion and energy efficiency, a packing material is used in the plasma discharge zone of the reactor, sometimes decorated by a catalytic material. Nevertheless, the extent to which different properties of the packing material influence plasma performance is still largely unexplored and unknown. In this study, the particular effect of synthesis induced differences in the morphology of a TiO2 shell covering a SiO2 core packing material on the plasma conversion of CO2 is studied. TiO2 has been successfully deposited around 1.6–1.8 mm sized SiO2 spheres by means of spray coating, starting from aqueous citratoperoxotitanate(IV) precursors. Parameters such as concentration of the Ti(IV) precursor solutions and addition of a binder were found to affect the shells’ properties and surface morphology and to have a major impact on the CO2 conversion in a packed bed DBD plasma reactor. Core-shell SiO2@TiO2 obtained from 0.25 M citratoperoxotitante(IV) precursors with the addition of a LUDOX binder showed the highest CO2 conversion 37.7% (at a space time of 70 s corresponding to an energy efficiency of 2%) and the highest energy efficiency of 4.8% (at a space time of 2.5 s corresponding to a conversion of 3%). |
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Wos |
000634280300004 |
Publication Date |
2021-02-15 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
2212-9820 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.292 |
Times cited |
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Open Access |
OpenAccess |
| Notes |
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Approved |
Most recent IF: 4.292 |
| Call Number |
UA @ admin @ c:irua:175958 |
Serial |
6773 |
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| Author |
Uytdenhouwen, Y. |
| Title |
Tuning the performance of a DBD plasma reactor for CO2 reforming |
Type |
Doctoral thesis |
| Year |
2020 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
303 p. |
| Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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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 @ admin @ c:irua:174026 |
Serial |
6774 |
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| Author |
Oliveira, M.C. |
| Title |
Influence of phase-separated domains on the permeability of oxidized lipid membranes |
Type |
Doctoral thesis |
| Year |
2022 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
151 p. |
| Keywords |
Doctoral thesis; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Biological membranes are under constant attack of reactive oxygen and nitrogen species (RONS), which may lead to a complex mixture of nitro-oxidized lipids that are responsible for structural and dynamic changes on the membrane. Because of that, nitro-oxidized lipids are also associated with several tumors and inflammatory and neurodegenerative diseases. Moreover, lipid oxidation may induce membrane phase-separated domains, which also drastically affect the membrane function. Evidence suggests that domain interfaces are “hot spots” for pore formation, but the underlying mechanisms remain elusive. There is an urgent need for an improved understanding of oxidation-induced phase separation on membrane properties. Likewise, the molecular structure at domain interfaces still needs to be elucidated. To evaluate the effect of lipid nitro-oxidation on the permeability of single-phase (homogeneous) and phase-separated (heterogeneous) phospholipid bilayers (PLBs), we performed atomistic molecular dynamics (MD) simulations using: (1) single-phase PLBs composed of several isomers of nitrated and/or oxidized lipids; (2) phase-separated PLBs composed of coexisting liquid ordered (Lo) and liquid disordered (Ld) domains, where the Ld domain is composed of non-oxidized and/or oxidized lipids. Our results show that nitrated lipids increase the membrane permeability of single-phase PLBs by three-fold compared to oxidized lipids. In addition, we show that oxidized lipids in the presence of nitrated lipids decrease the membrane permeability, suggesting an interaction between nitrated and oxidized lipids. Overall, the permeability of single-phase and phase-separated PLBs was comparable, and the presence of oxidized lipids increases the membrane permeability only in single-phase PLBs. Despite the latter, the presence of only 1.5% of lipid aldehydes at the Lo/Ld domain interfaces of phase-separated PLBs was able to increase the membrane permeability. In consequence of this, we also performed coarse-grained MD simulations to evaluate whether lipid aldehydes have a preference to accumulate at the interface between Lo/Ld domains. Our results show that lipid aldehydes derived from mono-unsaturated lipids accumulate at the interface, but those derived from poly-unsaturated lipids remain in the Ld domain. This study is of interest for photodynamic therapy and plasma medicine for cancer treatment, to understand the effects caused by RONS in cell membranes. |
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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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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:191039 |
Serial |
7173 |
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| Author |
van 't Veer, K.C. |
| Title |
Plasma kinetics modelling of nitrogen fixation : ammonia synthesis in dielectric barrier discharges with catalysts |
Type |
Doctoral thesis |
| Year |
2022 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
241 p. |
| Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Ammonia (NH3) synthesis is crucial for the production of artificial fertilizer and is carried out through the Haber-Bosch process. With an energy consumption of 30 GJ/t-NH3 and the emission of 2 kg-CO2/kg-NH3, ammonia is the chemical with the largest environmental footprint. Haber-Bosch operates under high pressure and high temperature conditions. Plasma technology potentially allows greener ammonia production. Dielectric barrier discharges are a popular plasma source in which a catalyst is easily incorporated. The combination of plasma and catalyst can circumvent the harsh reaction conditions of the Haber-Bosch process. Plasma kinetics modelling is used to gain insight into the mechanisms of such plasma-catalytic systems. Special attention is given to the instantaneous power absorbed by the electrons, the relevant fraction of the microdischarges and the discharge volumes. The importance of vibrational excitation is investigated. Depending on the exact discharge conditions, it was found that both the strong microdischarges and vibrational excitation can be simultaneously important for the ammonia yield. The temporal behavior of filamentary dielectric barrier discharges was explicitly taken into account. Ammonia was found to decompose during the microdischarges due to electron impact dissociation. At the same time atomic nitrogen and other excited species are created. Those reactive species recombine to ammonia in the afterglow through various elementary Eley-Rideal and Langmuir-Hinshelwood surface reaction steps with a net ammonia gain. Finally, the concept of the fraction of microdischarges was generalized. It directly represents the efficiency with which the applied electric power is transferred to each individual particle in the plasma reactor. It is argued that any type of spatial or temporal non-uniformity of the plasma will cause unequal treatment of the gas molecules in the reactor, corresponding to a lower efficiency at which the power is transferred to the gas molecules. All of those insights aid in an increased understanding of plasma-catalytic ammonia synthesis as a potential green chemistry solution to the synthesis of ammonia on small scale. |
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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:188246 |
Serial |
7193 |
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| Author |
Cui, Z.; Zhou, C.; Jafarzadeh, A.; Meng, S.; Yi, Y.; Wang, Y.; Zhang, X.; Hao, Y.; Li, L.; Bogaerts, A. |
| Title |
SF₆ catalytic degradation in a γ-Al₂O₃ packed bed plasma system : a combined experimental and theoretical study |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
High voltage |
Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
1-11 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Effective abatement of the greenhouse gas sulphur hexafluoride (SF6) waste is of great importance for the environment protection. This work investigates the size effect and the surface properties of gamma-Al2O3 pellets on SF6 degradation in a packed bed dielectric barrier discharge (PB-DBD) system. Experimental results show that decreasing the packing size improves the filamentary discharges and promotes the ignition and the maintenance of plasma, enhancing the degradation performance at low input powers. However, too small packing pellets decrease the gas residence time and reduce the degradation efficiency, especially for the input power beyond 80 W. Besides, lowering the packing size promotes the generation of SO2, while reduces the yields of S-O-F products, corresponding to a better degradation. After the discharge, the pellet surface becomes smoother with the appearance of S and F elements. Density functional theory calculations show that SF6 is likely to be adsorbed at the Al-III site over the gamma-Al2O3(110) surface, and it is much more easily to decompose than in the gas phase. The fluorine gaseous products can decompose and stably adsorb on the pellet surface to change the surface element composition. This work provides a better understanding of SF6 degradation in a PB-DBD system. |
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Place of Publication |
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Wos |
000827312700001 |
Publication Date |
2022-07-20 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
2397-7264 |
ISBN |
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Additional Links |
UA library record; WoS full record |
| Impact Factor |
4.4 |
Times cited |
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Open Access |
OpenAccess |
| Notes |
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Approved |
Most recent IF: 4.4 |
| Call Number |
UA @ admin @ c:irua:189603 |
Serial |
7208 |
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| Author |
Wang, J.; Zhang, K.; Bogaerts, A.; Meynen, V. |
| Title |
3D porous catalysts for plasma-catalytic dry reforming of methane : how does the pore size affect the plasma-catalytic performance? |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
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| Volume |
464 |
Issue |
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Pages |
142574-12 |
| Keywords |
A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The effect of pore size on plasma catalysis is crucial but still unclear. Studies have shown plasma cannot enter micropores and mesopores, so catalysts for traditional thermocatalysis may not fit plasma catalysis. Here, 3D porous Cu and CuO with different pore sizes were prepared using uniform silica particles (10–2000 nm) as templates, and compared in plasma-catalytic dry reforming. In most cases, the smaller the pore size, the higher the conversion of CH4 and CO2. Large pores reachable by more electrons did not improve the reaction efficiency. We attribute this to the small surface area and large crystallite size, as indicated by N2-sorption, mercury intrusion and XRD. While the smaller pores might not be reachable by electrons, due to the sheath formed in front of them, as predicted by modeling, they can still be reached by radicals formed in the plasma, and ions can even be attracted into these pores. An exception are the samples synthesized from 1 μm silica, which show better performance. We believe this is due to the electric field enhancement for pore sizes close to the Debye length. The performances of CuO and Cu with different pore sizes can provide references for future research on oxide supports and metal components of plasma catalysts. |
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Wos |
000966076400001 |
Publication Date |
2023-03-21 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
1385-8947; 1873-3212 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
15.1 |
Times cited |
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Open Access |
OpenAccess |
| Notes |
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Approved |
Most recent IF: 15.1; 2023 IF: 6.216 |
| Call Number |
UA @ admin @ c:irua:194862 |
Serial |
7262 |
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| Author |
Wang, J.; Zhang, K.; Meynen, V.; Bogaerts, A. |
| Title |
Dry reforming in a dielectric barrier discharge reactor with non-uniform discharge gap : effects of metal rings on the discharge behavior and performance |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
142953-29 |
| Keywords |
A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The application of dielectric barrier discharge (DBD) plasma reactors is promising in various environmental and energy processes, but is limited by their low energy yield. In this study, we put a number of stainless steel rings over the inner electrode rod of the DBD reactor to change the local discharge gap and electric field, and we studied the dry reforming performance. At 50 W supplied power, the metal rings mostly have a negative impact on the performance, which we attribute to the non-uniform spatial distribution of the discharges caused by the rings. However, at 30 W supplied power, the energy yield is higher than at 50 W and the placement of the rings improves the performance of the reactor. More rings and with a larger cross-sectional diameter can further improve the performance. The reactor with 20 rings with a 3.2 mm cross-sectional diameter exhibits the best performance in this study. Compared to the reactor without rings, it increases the CO2 conversion from 7% to 16 %, the CH4 conversion from 12% to 23%, and the energy yield from 0.05 mmol/kJ supplied power to 0.1 mmol/kJ (0.19 mmol/kJ if calculated from the plasma power), respectively. The presence of the rings increases the local electric field, the displaced charge and the discharge fraction, and also makes the discharge more stable and with more uniform intensity. It also slightly improves the selectivity to syngas. The performance improvement observed by placing stainless steel rings in this study may also be applicable to other plasma-based processes. |
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Wos |
000986051300001 |
Publication Date |
2023-04-17 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
1385-8947; 1873-3212 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
15.1 |
Times cited |
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Open Access |
OpenAccess |
| Notes |
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Approved |
Most recent IF: 15.1; 2023 IF: 6.216 |
| Call Number |
UA @ admin @ c:irua:195603 |
Serial |
7264 |
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Kovács, A.; Yusupov, M.; Cornet, I.; Billen, P.; Neyts, E.C. |
| Title |
Effect of natural deep eutectic solvents of non-eutectic compositions on enzyme stability |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
Journal Of Molecular Liquids |
Abbreviated Journal |
J Mol Liq |
| Volume |
366 |
Issue |
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Pages |
120180-17 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Biochemical Wastewater Valorization & Engineering (BioWaVE); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) |
| Abstract |
Natural deep eutectic solvents (NADES) represent a green alternative to common organic solvents in the biochemical industry due to their benign behavior and tailorable properties, in particular as media for enzymatic reactions. However, to fully exploit their potential in enzymatic reactions, there is a need for a more fundamental understanding of how these neoteric solvents influence the course of these reac-tions. Thus, the aim of this study is to investigate the influence of NADES with various molar composi-tions on the stability and structure of enzymes, applying molecular dynamics simulations. This can help to better understand the effect of individual compounds of NADES, in addition to eutectic mixtures. More specifically, we simulate the behavior of Candida antarctica lipase B (CALB) enzyme in NADES com-posed of choline chloride with either urea, ethylene glycol or glycerol. Hereto, we monitor the NADES microstructure, the general stability of the enzyme and changes in the structure of its active sites and sur-face residues. Our simulations show that none of the studied NADES systems significantly disrupt the microstructure of the solvent or the stability of the CALB enzyme within the time scales of the simula-tions. The enzyme preserves its initial structure, size and intra-chain hydrogen bonds in all investigated compositions and, for the first time reported, also in NADES with increased hydrogen bond donating com-pound ratios. As the main novelty, our results indicate that, in addition to the composition, the molar ratio can be an additional variable to fine-tune the physicochemical properties of NADES without altering the enzyme characteristics. These findings could facilitate the development and application of task -tailored NADES media for biocatalytic processes. (c) 2022 Elsevier B.V. All rights reserved. |
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Wos |
000865431800010 |
Publication Date |
2022-08-25 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
0167-7322 |
ISBN |
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Additional Links |
UA library record; WoS full record |
| Impact Factor |
6 |
Times cited |
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Open Access |
Not_Open_Access |
| Notes |
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Approved |
Most recent IF: 6 |
| Call Number |
UA @ admin @ c:irua:191538 |
Serial |
7265 |
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| Author |
Lu, X.P.; Bruggeman, P.J.; Reuter, S.; Naidis, G.; Bogaerts, A.; Laroussi, M.; Keidar, M.; Robert, E.; Pouvesle, J.-M.; Liu, D.W.; Ostrikov, K.(K.) |
| Title |
Grand challenges in low temperature plasmas |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
Frontiers in physics |
Abbreviated Journal |
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| Volume |
10 |
Issue |
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Pages |
1040658-12 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Low temperature plasmas (LTPs) enable to create a highly reactive environment at near ambient temperatures due to the energetic electrons with typical kinetic energies in the range of 1 to 10 eV (1 eV = 11600K), which are being used in applications ranging from plasma etching of electronic chips and additive manufacturing to plasma-assisted combustion. LTPs are at the core of many advanced technologies. Without LTPs, many of the conveniences of modern society would simply not exist. New applications of LTPs are continuously being proposed. Researchers are facing many grand challenges before these new applications can be translated to practice. In this paper, we will discuss the challenges being faced in the field of LTPs, in particular for atmospheric pressure plasmas, with a focus on health, energy and sustainability. |
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Wos |
000878212000001 |
Publication Date |
2022-10-14 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
2296-424x |
ISBN |
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Additional Links |
UA library record; WoS full record |
| Impact Factor |
3.1 |
Times cited |
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Open Access |
OpenAccess |
| Notes |
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Approved |
Most recent IF: 3.1 |
| Call Number |
UA @ admin @ c:irua:192173 |
Serial |
7267 |
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| Author |
Sahun, M.; Privat-Maldonado, A.; Lin, A.; De Roeck, N.; Van de Heyden, L.; Hillen, M.; Michiels, J.; Steenackers, G.; Smits, E.; Ariën, K.K.; Jorens, P.G.; Delputte, P.; Bogaerts, A. |
| Title |
Inactivation of SARS-CoV-2 and other enveloped and non-enveloped viruses with non-thermal plasma for hospital disinfection |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
ACS Sustainable Chemistry and Engineering |
Abbreviated Journal |
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Issue |
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Pages |
1-10 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Center for Oncological Research (CORE); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Laboratory Experimental Medicine and Pediatrics (LEMP) |
| Abstract |
As recently highlighted by the SARS-CoV-2 pandemic, viruses have become an increasing burden for health, global economy, and environment. The control of transmission by contact with contaminated materials represents a major challenge, particularly in hospital environments. However, the current disinfection methods in hospital settings suffer from numerous drawbacks. As a result, several medical supplies that cannot be properly disinfected are not reused, leading to severe shortages and increasing amounts of waste, thus prompting the search for alternative solutions. In this work, we report that non-thermal plasma (NTP) can effectively inactivate SARS-CoV-2 from non-porous and porous materials commonly found in healthcare facilities. We demonstrated that 5 min treatment with a dielectric barrier discharge NTP can inactivate 100% of SARS-CoV-2 (Wuhan and Omicron strains) from plastic material. Using porcine respiratory coronavirus (surrogate for SARS-CoV-2) and coxsackievirus B3 (highly resistant non-enveloped virus), we tested the NTP virucidal activity on hospital materials and obtained complete inactivation after 5 and 10 min, respectively. We hypothesize that the produced reactive species and local acidification contribute to the overall virucidal effect of NTP. Our results demonstrate the potential of dielectric barrier discharge NTPs for the rapid, efficient, and low-cost disinfection of healthcare materials. |
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Wos |
000964269500001 |
Publication Date |
2023-03-23 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
2168-0485 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
8.4 |
Times cited |
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Open Access |
OpenAccess |
| Notes |
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Approved |
Most recent IF: 8.4; 2023 IF: 5.951 |
| Call Number |
UA @ admin @ c:irua:194897 |
Serial |
7269 |
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| Author |
Van Alphen, S. |
| Title |
Modelling plasma reactors for sustainable CO2 conversion and N2 fixation |
Type |
Doctoral thesis |
| Year |
2023 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
202 p. |
| Keywords |
Doctoral thesis; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
200 years ago, humanity started the industrial revolution by discovering fossil fuels, which lead to unprecedented technological advancements. However it has become alarmingly clear that the major environmental concerns associated with fossil fuels require a short-term transition from a carbon-based energy economy to a sustainable one based on green electricity. A key step concerning this transition exists in developing electricity-driven alternatives for chemical processes that rely on fossil fuels as a raw material. A technology that is gaining increasing interest to achieve this, is plasma technology. Using plasmas to induce chemical reactions by selectively heating electrons in a gas has already delivered promising results for gas conversion applications like CO2 conversion and N2 fixation, but plasma reactors still require optimization to be considered industrially competitive to existing fossil fuel-based processes and emerging other electricity-based technologies. In this thesis I develop computational models to describe plasma reactors and identify key mechanisms in three different plasma reactors for three different gas conversion applications, i.e. N2 fixation, combined CO2-CH4 conversion and CO2 splitting. I first developed models to describe a new rotating gliding arc (GA) reactor operating in two arc modes, which, as revealed by my model, are characterized by distinct plasma chemistry pathways. Subsequently, my colleague and I study the quenching effect of an effusion nozzle to this rotating GA reactor, reaching the best results to date for N2 fixation into NOx at atmospheric pressure, i.e., NOx concentrations up to 5.9%, at an energy cost down to 2.1 MJ/mol. Afterwards, I investigate the possible improvement of N2 admixtures in plasma-based CO2 and CH4 conversion, as significant amounts of N2 are often found in industrial CO2 waste streams, and gas separations are financially costly. Through combining my models with the experiment from a fellow PhD student, we reveal that moderate amounts of N2 (i.e. around 20%) increase both the electron density and the gas temperature to yield an overall energy cost reduction of 21%. Finally, I model quenching nozzles for plasma-based CO2 conversion in a microwave reactor, to explain the enhancements in CO2 conversion that were demonstrated in experiments. Through computational modelling I reveal that the nozzle introduces fast gas quenching resulting in the suppression of recombination reactions, which have more impact at low flow rates, where recombination is the most limiting factor in the conversion process. |
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| ISSN |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:194811 |
Serial |
7270 |
| Permanent link to this record |
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| |
| Author |
Deben, C.; Cardenas De La Hoz, E.; Le Compte, M.; Van Schil, P.; Hendriks, J.M.H.; Lauwers, P.; Yogeswaran, S.K.; Lardon, F.; Pauwels, P.; van Laere, S.; Bogaerts, A.; Smits, E.; Vanlanduit, S.; Lin, A. |
| Title |
OrBITS : label-free and time-lapse monitoring of patient derived organoids for advanced drug screening |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
Cellular Oncology (2211-3428) |
Abbreviated Journal |
Cell Oncol |
| Volume |
|
Issue |
|
Pages |
1-16 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Center for Oncological Research (CORE) |
| Abstract |
Background Patient-derived organoids are invaluable for fundamental and translational cancer research and holds great promise for personalized medicine. However, the shortage of available analysis methods, which are often single-time point, severely impede the potential and routine use of organoids for basic research, clinical practise, and pharmaceutical and industrial applications. Methods Here, we developed a high-throughput compatible and automated live-cell image analysis software that allows for kinetic monitoring of organoids, named Organoid Brightfield Identification-based Therapy Screening (OrBITS), by combining computer vision with a convolutional network machine learning approach. The OrBITS deep learning analysis approach was validated against current standard assays for kinetic imaging and automated analysis of organoids. A drug screen of standard-of-care lung and pancreatic cancer treatments was also performed with the OrBITS platform and compared to the gold standard, CellTiter-Glo 3D assay. Finally, the optimal parameters and drug response metrics were identified to improve patient stratification. Results OrBITS allowed for the detection and tracking of organoids in routine extracellular matrix domes, advanced Gri3D (R)-96 well plates, and high-throughput 384-well microplates, solely based on brightfield imaging. The obtained organoid Count, Mean Area, and Total Area had a strong correlation with the nuclear staining, Hoechst, following pairwise comparison over a broad range of sizes. By incorporating a fluorescent cell death marker, infra-well normalization for organoid death could be achieved, which was tested with a 10-point titration of cisplatin and validated against the current gold standard ATP-assay, CellTiter-Glo 3D. Using this approach with OrBITS, screening of chemotherapeutics and targeted therapies revealed further insight into the mechanistic action of the drugs, a feature not achievable with the CellTiter-Glo 3D assay. Finally, we advise the use of the growth rate-based normalised drug response metric to improve accuracy and consistency of organoid drug response quantification. Conclusion Our findings validate that OrBITS, as a scalable, automated live-cell image analysis software, would facilitate the use of patient-derived organoids for drug development and therapy screening. The developed wet-lab workflow and software also has broad application potential, from providing a launching point for further brightfield-based assay development to be used for fundamental research, to guiding clinical decisions for personalized medicine. |
| 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 |
000898426100001 |
Publication Date |
2022-12-12 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
2211-3428; 2211-3436 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.6 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 6.6 |
| Call Number |
UA @ admin @ c:irua:192698 |
Serial |
7272 |
| Permanent link to this record |
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| |
| Author |
Wang, J. |
| Title |
Plasma catalysis : study of CO2 reforming of CH4 in a DBD reactor |
Type |
Doctoral thesis |
| Year |
2022 |
Publication |
|
Abbreviated Journal |
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| Volume |
|
Issue |
|
Pages |
XVI, 232 p. |
| Keywords |
Doctoral thesis; Engineering sciences. Technology; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The plasma-based dry reforming in a dielectric barrier discharge (DBD) reactor is important to achieve sustainable goals, but many challenges remain. For example, the conversion and energy yield of DBD reactors are relatively low, and the catalysts or packing materials used in existing studies cannot improve them, possibly due to the unsuitable properties and structures of catalysts or packing materials for plasma processes. In order to study the effect of catalyst structure on plasma-based dry reforming, a controllable synthesis of the catalyst supports or templates was explored. In Chapter 2, an initially immiscible synthesis method was proposed to synthesize uniform silica spheres, which can replace the organic solvent-based Stöber method to successfully synthesize silica particles with the same size ranges as the original Stöber process without addition of organic solvents. Using the silica spheres as templates, 3D porous Cu and CuO catalysts with different pore sizes were synthesized in Chapter 3 to study the effect of catalyst pore size on the plasma-catalytic dry reforming. In most cases, the smaller the pore size, the higher the conversion of CH4 and CO2 due to the reaction of radicals and ions formed in the plasma. An exception are the samples synthesized from 1 μm silica, which show better performance due to the electric field enhancement for pore sizes close to the Debye length. Besides the pore size, the particle diameter of the catalyst or packing is also one of the important factors affecting the interaction between plasma and catalyst. In Chapter 4, SiO2 spheres (with or without supported metal) were used to study the effect of different support particle sizes on plasma-based dry reforming. We found that a uniform SiO2 packing improves the conversion of plasma-based dry reforming. The conversion of plasma-based dry reforming first increases and then decreases with increasing particle size, due to the balance between the promoting and hindering effect of the particle filling on the plasma discharge. Chapter 5 is to improve the design of the DBD reactor itself, in order to try to increase its low energy yield. Some stainless steel rings were put over the inner electrode rod of the DBD reactor. The presence of rings increases the local electric field, the displaced charges and the discharge fraction, and also makes the discharge more stable and with more uniform intensity. The placement of the rings improves the performance of the reactor at 30 W supplied power. |
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Thesis |
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Place of Publication |
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Publication Date |
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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 @ admin @ c:irua:194045 |
Serial |
7273 |
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| Author |
Nematollahi, P. |
| Title |
Selectivity of Mo-NC sites for electrocatalytic N₂ reduction : a function of the single atom position on the surface and local carbon topologies |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Applied surface science |
Abbreviated Journal |
|
| Volume |
612 |
Issue |
|
Pages |
155908-155909 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Transition metal (TM) doped two-dimensional single-atom catalysts are known as a promising class of catalysts for electrocatalytic gas conversion. However, the detailed mechanisms that occur at the surface of these catalysts are still unknown. In the present work, we simulate three Mo-doped nitrogenated graphene structures. In each catalyst, the position of the Mo active site and the corresponding local carbon topologies are different, i.e. MoN4C10 with in-plane Mo atom, MoN4C8 in which Mo atom bridges two adjacent armchair-like graphitic edges, and MoN2C3 in which Mo is doped at the edge of the graphene sheet. Using Density Functional Theory (DFT) calculations we discuss the electrocatalytic activity of Mosingle bondNsingle bondC structures for nitrogen reduction reaction (NRR) with a focus on unraveling the corresponding mechanisms concerning different Mo site positions and C topologies. Our results indicate that the position of the active site centers has a great effect on its electrocatalytic behavior. The gas phase N2 efficiently reduces to ammonia on MoN4C8 via the distal mechanism with an onset potential of −0.51 V. We confirm that the proposed pyridinic structure, MoN4C8, can catalyze NRR effectively with a low overpotential of 0.35 V. |
| 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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Wos |
000901469900003 |
Publication Date |
2022-11-30 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0169-4332 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.7 |
Times cited |
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Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 6.7; 2023 IF: 3.387 |
| Call Number |
UA @ admin @ c:irua:192430 |
Serial |
7275 |
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| Author |
Kovács, A. |
| Title |
A structured methodology for natural deep eutectic solvent selection and formulation for enzymatic reactions |
Type |
Doctoral thesis |
| Year |
2023 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
viii, 216 p. |
| Keywords |
Doctoral thesis; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Biochemical Wastewater Valorization & Engineering (BioWaVE); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) |
| Abstract |
Natural deep eutectic solvents (NADES) show great promise as media for enzymatic reactions in areas where (bio)compatibility with natural or medicinal products is a must. While in theory they can be tailored to the intended reaction to ensure optimized yields, the knowledge to date is predominantly empirical, with some mechanistic reports providing a fragmented view at best. Therefore, it is not easy to explain experimental observations, let alone make predictions. The aim of this study was to develop a structured, holistic understanding of the effects of NADES media on enzymatic reactions, distinguishing between effects on solubility, solvation, viscosity, inhibition and denaturation. Experimental and computational chemistry methods were combined to separately study the interactions between enzyme, substrate, and NADES as reaction media. The initial enzyme activity and the final conversion of vinyl laurate transesterification by immobilized Candida antarctica lipase were studied experimentally. The direct effect of NADES on the same enzyme was modeled by molecular dynamics simulation. The effect of solubility was studied by both experimental and computational methods. To predict the solubility and viscosity of NADES, data-driven models were developed by combining group contribution and machine learning methods, based on the accumulated experimental knowledge on NADES found in the literature. Finally, the composed relationships and prediction models were applied to the practical example of deacetylation of mannosylerythritol lipids (MELs). The experimental findings show that the chosen NADES system has a significant effect on both the apparent initial activity and the final conversion. However, in the simulations, the enzyme retains its original structure; moreover, NADES has an additional stabilizing effect on the enzyme. In addition, changes in the molar ratio of the compounds in NADES do not show a significant effect on the stability of the enzyme. These results indicate that the main effect of NADES on the reaction is mainly related to the substrate-solvent interactions (solvation energy) and the viscosity of the system. On the other hand, the experimental results only confirmed the significance of solvation, viscosity did not show a clear correlation with the studied reaction parameters. The machine learning models built for solubility and viscosity gave quantitative predictions of these properties. The accumulated knowledge was used to optimize the yield in the deacetylation reaction of MELs. The combination of these methods provides fundamental knowledge about the effect of NADES on biocatalysis, but the results are also applicable to other uses of NADES. |
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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 @ admin @ c:irua:194886 |
Serial |
7276 |
| Permanent link to this record |
