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| Author | Osella, S.; Knippenberg, S. | ||||
| Title | Laurdan as a molecular rotor in biological environments | Type  |
A1 Journal article | ||
| Year | 2019 | Publication | ACS applied bio materials | Abbreviated Journal | |
| Volume | 2 | Issue | 12 | Pages | 5769-5778 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Laurdan is one of the most used fluorescent probes for lipid membrane phase recognition. Despite its wide use for optical techniques and its versatility as a solvatochromic probe, little is known regarding its use as molecular rotor, for which clear evidence is found in the current study. Although recent computational and experimental studies suggest the existence of two stable conformations of laurdan in different membrane phases, it is difficult to experimentally probe their prevalence. By means of multiscale computational approaches, we prove now that this information can be obtained through the optical properties of the two conformers, ranging from one-photon absorption over two-photon absorption to the first hyperpolarizability. Fluorescence decay and anisotropy analyses are performed as well and stress the importance of laurdan's conformational versatility. As a molecular rotor and with reference to the distinct properties of its conformers, laurdan can be used to probe biochemical processes that change the lipid orders in cell membranes. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000616372300047 | Publication Date | 2019-11-22 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2576-6422 | 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:180356 | Serial | 8166 | ||
| Permanent link to this record | |||||
| Author | Nematollahi, P.; Neyts, E.C. | ||||
| Title | Linking bi-metal distribution patterns in porous carbon nitride fullerene to its catalytic activity toward gas adsorption | Type |
A1 Journal article | ||
| Year | 2021 | Publication | Nanomaterials | Abbreviated Journal | Nanomaterials-Basel |
| Volume | 11 | Issue | 7 | Pages | 1794 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Immobilization of two single transition metal (TM) atoms on a substrate host opens numerous possibilities for catalyst design. If the substrate contains more than one vacancy site, the combination of TMs along with their distribution patterns becomes a design parameter potentially complementary to the substrate itself and the bi-metal composition. By means of DFT calculations, we modeled three dissimilar bi-metal atoms (Ti, Mn, and Cu) doped into the six porphyrin-like cavities of porous C24N24 fullerene, considering different bi-metal distribution patterns for each binary complex, viz. TixCuz@C24N24, TixMny@C24N24, and MnyCuz@C24N24 (with x, y, z = 0-6). We elucidate whether controlling the distribution of bi-metal atoms into the C24N24 cavities can alter their catalytic activity toward CO2, NO2, H-2, and N-2 gas capture. Interestingly, Ti2Mn4@C24N24 and Ti2Cu4@C24N24 complexes showed the highest activity and selectively toward gas capture. Our findings provide useful information for further design of novel few-atom carbon-nitride-based catalysts. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000676140500001 | Publication Date | 2021-07-09 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2079-4991 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.553 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 3.553 | |||
| Call Number | UA @ admin @ c:irua:180372 | Serial | 8174 | ||
| Permanent link to this record | |||||
| Author | Lin, A.; Truong, B.; Patel, S.; Kaushik, N.; Choi, E.H.; Fridman, G.; Fridman, A.; Miller, V. | ||||
| Title | Nanosecond-pulsed DBD plasma-generated reactive oxygen species trigger immunogenic cell death in A549 lung carcinoma cells through intracellular oxidative stress | Type |
A1 Journal article | ||
| Year | 2017 | Publication | International journal of molecular sciences | Abbreviated Journal | |
| Volume | 18 | Issue | 5 | Pages | 966 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | A novel application for non-thermal plasma is the induction of immunogenic cancer cell death for cancer immunotherapy. Cells undergoing immunogenic death emit danger signals which facilitate anti-tumor immune responses. Although pathways leading to immunogenic cell death are not fully understood; oxidative stress is considered to be part of the underlying mechanism. Here; we studied the interaction between dielectric barrier discharge plasma and cancer cells for oxidative stress-mediated immunogenic cell death. We assessed changes to the intracellular oxidative environment after plasma treatment and correlated it to emission of two danger signals: surface-exposed calreticulin and secreted adenosine triphosphate. Plasma-generated reactive oxygen and charged species were recognized as the major effectors of immunogenic cell death. Chemical attenuators of intracellular reactive oxygen species successfully abrogated oxidative stress following plasma treatment and modulated the emission of surface-exposed calreticulin. Secreted danger signals from cells undergoing immunogenic death enhanced the anti-tumor activity of macrophages. This study demonstrated that plasma triggers immunogenic cell death through oxidative stress pathways and highlights its potential development for cancer immunotherapy. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000404113900073 | Publication Date | 2017-05-03 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1422-0067; 1661-6596 | 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:155654 | Serial | 8292 | ||
| Permanent link to this record | |||||
| Author | Ranieri, P.; Shrivastav, R.; Wang, M.; Lin, A.; Fridman, G.; Fridman, A.A.; Han, L.-H.; Miller, V. | ||||
| Title | Nanosecond-pulsed dielectric barrier dischargeinduced antitumor effects propagate through depth of tissue via intracellular signaling | Type |
A1 Journal article | ||
| Year | 2017 | Publication | Plasma medicine | Abbreviated Journal | |
| Volume | 7 | Issue | 3 | Pages | 283-297 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Studies using xenograft mouse models have shown that plasma applied to the skin overlying tumors results in tumor shrinkage. Plasma is considered a nonpenetrating treatment; however, these studies demonstrate plasma effects that occur beyond the postulated depth of physical penetration of plasma components. The present study examines the propagation of plasma effects through a tissue model using three-dimensional, cell-laden extracellular matrices (ECMs). These ECMs are used as barriers against direct plasma penetration. By placing them onto a monolayer of target cancer cells to create an in-vitro analog to in-vivo studies, we distinguished between cellular effects from direct plasma exposure and cellular effects due to cell-to-cell signaling stimulated by plasma. We show that nanosecond-pulsed dielectric barrier discharge plasma treatment applied atop an acellular barrier impedes the externalization of calreticulin (CRT) in the target cells. In contrast, when a barrier is populated with cells, CRT externalization is restored. Thus, we demonstrate that plasma components stimulate signaling among cells embedded in the barrier to transfer plasma effects to the target cells. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2017-09-01 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | ISBN | Additional Links | UA library record | ||
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | no | |||
| Call Number | UA @ admin @ c:irua:155658 | Serial | 8293 | ||
| Permanent link to this record | |||||
| Author | Privat-Maldonado, A.; Gorbanev, Y.; O'Connell, D.; Vann, R.; Chechik, V.; van der Woude, M.W. | ||||
| Title | Nontarget biomolecules alter macromolecular changes induced by bactericidal low-temperature plasma | Type |
A1 Journal article | ||
| Year | 2018 | Publication | IEEE transactions on radiation and plasma medical sciences | Abbreviated Journal | |
| Volume | 2 | Issue | 2 | Pages | 121-128 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Low-temperature plasmas (LTPs) have a proven bactericidal activity governed by the generated reactive oxygen and nitrogen species (RONS) that target microbial cell components. However, RONS also interact with biomolecules in the environment. Here we assess the impact of these interactions upon exposure of liquid suspensions with variable organic content to an atmospheric-pressure dielectric barrier discharge plasma jet. Salmonella enterica serovar Typhimurium viability in the suspension was reduced in the absence [e. g., phosphate buffered saline (PBS)], but not in the presence of (high) organic content [Dulbecco's Modified Eagle's Medium (DMEM), DMEM supplemented with foetal calf serum, and Lysogeny Broth]. The reduced viability of LTP-treated bacteria in PBS correlated to a loss of membrane integrity, whereas double-strand DNA breaks could not be detected in treated single cells. The lack of bactericidal activity in solutions with high organic content correlated with a relative decrease of center dot OH and O-3/O-2(a(1)Delta g)/O, and an increase of H2O2 and NO2- in the plasma-treated solutions. These results indicate that the redox reactions of LTP-generated RONS with nontarget biomolecules resulted in a RONS composition with reduced bactericidal activity. Therefore, the chemical composition of the bacterial environment should be considered in the development of LTP for antimicrobial treatment, and may affect other biomedical applications as well. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000456148700007 | Publication Date | 2017-10-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2469-7311; 2469-7303 | 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:156820 | Serial | 8316 | ||
| Permanent link to this record | |||||
| Author | Bal, K.M. | ||||
| Title | Nucleation rates from small scale atomistic simulations and transition state theory | Type |
A1 Journal article | ||
| Year | 2021 | Publication | Journal Of Chemical Physics | Abbreviated Journal | J Chem Phys |
| Volume | 155 | Issue | 14 | Pages | 144111 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | The evaluation of nucleation rates from molecular dynamics trajectories is hampered by the slow nucleation time scale and impact of finite size effects. Here, we show that accurate nucleation rates can be obtained in a very general fashion relying only on the free energy barrier, transition state theory, and a simple dynamical correction for diffusive recrossing. In this setup, the time scale problem is overcome by using enhanced sampling methods, in casu metadynamics, whereas the impact of finite size effects can be naturally circumvented by reconstructing the free energy surface from an appropriate ensemble. Approximations from classical nucleation theory are avoided. We demonstrate the accuracy of the approach by calculating macroscopic rates of droplet nucleation from argon vapor, spanning 16 orders of magnitude and in excellent agreement with literature results, all from simulations of very small (512 atom) systems. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000755502100008 | Publication Date | 2021-09-30 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-9606 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.965 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 2.965 | |||
| Call Number | UA @ admin @ c:irua:184937 | Serial | 8320 | ||
| Permanent link to this record | |||||
| Author | Lu, A.K.A.; Pourtois, G.; Luisier, M.; Radu, I.P.; Houssa, M. | ||||
| Title | On the electrostatic control achieved in transistors based on multilayered MoS2 : a first-principles study | Type |
A1 Journal article | ||
| Year | 2017 | Publication | Journal of applied physics | Abbreviated Journal | |
| Volume | 121 | Issue | 4 | Pages | 044505 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | In this work, the electrostatic control in metal-oxide-semiconductor field-effect transistors based on MoS2 is studied, with respect to the number of MoS2 layers in the channel and to the equivalent oxide thickness of the gate dielectric, using first-principles calculations combined with a quantum transport formalism. Our simulations show that a compromise exists between the drive current and the electrostatic control on the channel. When increasing the number of MoS2 layers, a degradation of the device performances in terms of subthreshold swing and OFF currents arises due to the screening of the MoS2 layers constituting the transistor channel. Published by AIP Publishing. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000393480100030 | Publication Date | 2017-01-26 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-8979; 1089-7550 | 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:152673 | Serial | 8329 | ||
| Permanent link to this record | |||||
| Author | Biondo, O.; Hughes, A.; van der Steeg, A.; Maerivoet, S.; Loenders, B.; van Rooij, G.; Bogaerts, A. | ||||
| Title | Power concentration determined by thermodynamic properties in complex gas mixtures : the case of plasma-based dry reforming of methane | Type |
A1 Journal article | ||
| Year | 2023 | Publication | Plasma sources science and technology | Abbreviated Journal | |
| Volume | 32 | Issue | 4 | Pages | 045001-45020 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | We investigate discharge contraction in a microwave plasma at sub-atmospheric pressure, operating in CO2 and CO2/CH4 mixtures. The rise of the electron number density with plasma contraction intensifies the gas heating in the core of the plasma. This, in turn, initiates fast core-periphery transport and defines the rate of thermal chemistry over plasma chemistry. In this context, power concentration describes the overall mechanism including plasma contraction and chemical kinetics. In a complex chemistry such as dry reforming of methane, transport of reactive species is essential to define the performance of the reactor and achieve the desired outputs. Thus, we couple experimental observations and thermodynamic calculations for model validation and understanding of reactor performance. Adding CH4 alters the thermodynamic properties of the mixture, especially the reactive component of the heat conductivity. The increase in reactive heat conductivity increases the pressure at which plasma contraction occurs, because higher rates of gas heating are required to reach the same temperature. In addition, we suggest that the predominance of heat conduction over convection is a key condition to observe the effect of heat conductivity on gas temperature. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000963579500001 | Publication Date | 2023-03-23 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0963-0252 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.8 | Times cited | Open Access | Not_Open_Access | |
| Notes | Approved | Most recent IF: 3.8; 2023 IF: 3.302 | |||
| Call Number | UA @ admin @ c:irua:196044 | Serial | 8397 | ||
| Permanent link to this record | |||||
| Author | Bal, K.M. | ||||
| Title | Reweighted Jarzynski sampling : acceleration of rare events and free energy calculation with a bias potential learned from nonequilibrium work | Type |
A1 Journal article | ||
| Year | 2021 | Publication | Journal Of Chemical Theory And Computation | Abbreviated Journal | J Chem Theory Comput |
| Volume | 17 | Issue | 11 | Pages | 6766-6774 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | We introduce a simple enhanced sampling approach for the calculation of free energy differences and barriers along a one-dimensional reaction coordinate. First, a small number of short nonequilibrium simulations are carried out along the reaction coordinate, and the Jarzynski equality is used to learn an approximate free energy surface from the nonequilibrium work distribution. This free energy estimate is represented in a compact form as an artificial neural network and used as an external bias potential to accelerate rare events in a subsequent molecular dynamics simulation. The final free energy estimate is then obtained by reweighting the equilibrium probability distribution of the reaction coordinate sampled under the influence of the external bias. We apply our reweighted Jarzynski sampling recipe to four processes of varying scales and complexities.spanning chemical reaction in the gas phase, pair association in solution, and droplet nucleation in supersaturated vapor. In all cases, we find reweighted Jarzynski sampling to be a very efficient strategy, resulting in rapid convergence of the free energy to high precision. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000718183600008 | Publication Date | 2021-10-29 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1549-9618 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.245 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 5.245 | |||
| Call Number | UA @ admin @ c:irua:184676 | Serial | 8479 | ||
| Permanent link to this record | |||||
| Author | Cui, Z.; Zhou, C.; Jafarzadeh, A.; Zhang, X.; Hao, Y.; Li, L.; Bogaerts, A. | ||||
| Title | SF₆ degradation in γ-Al₂O₃ packed DBD system : effects of hydration, reactive gases and plasma-induced surface charges | Type |
A1 Journal article | ||
| Year | 2023 | Publication | Plasma chemistry and plasma processing | Abbreviated Journal | |
| Volume | 43 | Issue | Pages | 635-656 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Packed-bed DBD (PB-DBD) plasmas hold promise for effective degradation of greenhouse gases like SF6. In this work, we conducted a combined experimental and theoretical study to investigate the effect of the packing surface structure and the plasma surface discharge on the SF6 degradation in a gamma-Al2O3 packing DBD system. Experimental results show that both the hydration effect of the surface (upon moisture) and the presence of excessive reactive gases in the plasma can significantly reduce the SF6 degradation, but they hardly change the discharge behavior. DFT results show that the pre-adsorption of species such as H, OH, H2O and O-2 can occupy the active sites (Al-III site) which negatively impacts the SF6 adsorption. H2O molecules pre-adsorbed at neighboring sites can promote the activation of SF6 molecules and lower the reaction barrier for the S-F bond-breaking process. Surface-induced charges and local external electric fields caused by the plasma can both improve the SF6 adsorption and enhance the elongation of the S-F bonds. Our results indicate that both the surface structure of the packing material and the plasma surface discharge are crucial for SF6 degradation performance, and the packing beads should be kept dry during the degradation. This work helps to understand the underlying mechanisms of SF6 degradation in a PB-DBD system. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000966639200001 | Publication Date | 2023-04-10 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0272-4324 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.6 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 3.6; 2023 IF: 2.355 | |||
| Call Number | UA @ admin @ c:irua:196033 | Serial | 8516 | ||
| Permanent link to this record | |||||
| Author | Tchakoua, T.; Powell, A.D.; Gerrits, N.; Somers, M.F.; Doblhoff-Dier, K.; Busnengo, H.F.; Kroes, G.-J. | ||||
| Title | Simulating highly activated sticking of H₂ on Al(110) : quantum versus quasi-classical dynamics | Type |
A1 Journal article | ||
| Year | 2023 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal | |
| Volume | 127 | Issue | 11 | Pages | 5395-5407 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | We evaluate the importance of quantum effects on the sticking of H2 on Al(110) for conditions that are close to those of molecular beam experiments that have been done on this system. Calculations with the quasi-classical trajectory (QCT) method and with quantum dynamics (QD) are performed using a model in which only motion in the six molecular degrees of freedom is allowed. The potential energy surface used has a minimum barrier height close to the value recently obtained with the quantum Monte Carlo method. Monte Carlo averaging over the initial rovibrational states allowed the QD calculations to be done with an order of magnitude smaller computational expense. The sticking probability curve computed with QD is shifted to lower energies relative to the QCT curve by 0.21 to 0.05 kcal/mol, with the highest shift obtained for the lowest incidence energy. Quantum effects are therefore expected to play a small role in calculations that would evaluate the accuracy of electronic structure methods for determining the minimum barrier height to dissociative chemisorption for H2 + Al(110) on the basis of the standard procedure for comparing results of theory with molecular beam experiments. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000971346700001 | Publication Date | 2023-03-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1932-7447; 1932-7455 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.7 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 3.7; 2023 IF: 4.536 | |||
| Call Number | UA @ admin @ c:irua:196071 | Serial | 8525 | ||
| Permanent link to this record | |||||
| Author | Vereecke, G.; De Coster, H.; Van Alphen, S.; Carolan, P.; Bender, H.; Willems, K.; Ragnarsson, L.-A.; Van Dorpe, P.; Horiguchi, N.; Holsteyns, F. | ||||
| Title | Wet etching of TiN in 1-D and 2-D confined nano-spaces of FinFET transistors | Type |
A1 Journal article | ||
| Year | 2018 | Publication | Microelectronic engineering | Abbreviated Journal | |
| Volume | 200 | Issue | Pages | 56-61 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | In the manufacturing of multi-Vt FinFET transistors, the gate material deposited in the nano-spaces left by the removed dummy gate must be etched back in mask-defined wafer areas. Etch conformality is a necessary condition for the control of under-etch at the boundary between areas defined by masking. We studied the feasibility of TiN etching by APM (ammonia peroxide mixture, also known as SC1) in nano-confined volumes representative of FinFET transistors of the 7 nm node and below, namely nanotrenches with 1-D confinement and nanoholes with 2-D confinement. TiN etching was characterized for rate and conformality using different electron microscopy techniques. Etching in closed nanotrenches was conformal, starting and progressing all along the 2-D seam, with a rate that was 38% higher compared to a planar film. Etching in closed nanoholes proved also to be conformal and faster than planar films, but with a delay to open the 1-D seam that seemed to depend strongly on small variations in the hole diameter. However, holes between the fins at the bottom of the removed dummy gate, are not circular and do present 2-D seams that should lend themselves for an easier start of conformal etching as compared to the circular nanoholes used in this study. Finally, to explain the higher etch rate observed in nano-confined features, concentrations of ions in nanoholes were calculated taking the overlap of electrostatic double layers (EDL) into account. With negatively charged TiN walls, as measured by streaming potential on planar films, ammonium was the dominant ion in nanoholes. As no chemical reaction proposed in the literature for TiN etching matched with this finding, we proposed that the formation of ammine complexes, dissolving the formed Ti oxide, was the rate-determining step. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000449134800010 | Publication Date | 2018-09-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0167-9317 | 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:155414 | Serial | 8757 | ||
| Permanent link to this record | |||||
| Author | Tsonev, I.; Boothroyd, J.; Kolev, S.; Bogaerts, A. | ||||
| Title | Simulation of glow and arc discharges in nitrogen: effects of the cathode emission mechanisms | Type |
A1 Journal Article | ||
| Year | 2023 | Publication | PLASMA SOURCES SCIENCE & TECHNOLOGY | Abbreviated Journal | |
| Volume | 32 | Issue | 5 | Pages | 054002 |
| Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | Experimental evidence in the literature has shown that low-current direct current nitrogen discharges can exist in both glow and arc regimes at atmospheric pressure. However, modelling investigations of the positive column that include the influence of the cathode phenomena are scarce. In this work we developed a 2D axisymmetric model of a plasma discharge in flowing nitrogen gas, studying the influence of the two cathode emission mechanisms—thermionic field emission and secondary electron emission—on the cathode region and the positive column. We show for an inlet gas flow velocity of 1 m s<sup>−1</sup>in the current range of 80–160 mA, that the electron emission mechanism from the cathode greatly affects the size and temperature of the cathode region, but does not significantly influence the discharge column at atmospheric pressure. We also demonstrate that in the discharge column the electron density balance is local and the electron production and destruction is dominated by volume processes. With increasing flow velocity, the discharge contraction is enhanced due to the increased convective heat loss. The cross sectional area of the conductive region is strongly dependent on the gas velocity and heat conductivity of the gas. | ||||
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| Language | Wos | 000987841800001 | Publication Date | 2023-05-01 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0963-0252 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 3.8 | Times cited | Open Access | Not_Open_Access | |
| Notes | This research is financially supported by the European Union’s Horizon 2020 research and innovation programme under Grant Agreement No. 965546. | Approved | Most recent IF: 3.8; 2023 IF: 3.302 | ||
| Call Number | PLASMANT @ plasmant @c:irua:196972 | Serial | 8788 | ||
| Permanent link to this record | |||||
| Author | Zheng, J.; Zhang, H.; Lv, J.; Zhang, M.; Wan, J.; Gerrits, N.; Wu, A.; Lan, B.; Wang, W.; Wang, S.; Tu, X.; Bogaerts, A.; Li, X. | ||||
| Title | Enhanced NH3Synthesis from Air in a Plasma Tandem-Electrocatalysis System Using Plasma-Engraved N-Doped Defective MoS2 | Type |
A1 Journal Article | ||
| Year | 2023 | Publication | JACS Au | Abbreviated Journal | JACS Au |
| Volume | 3 | Issue | 5 | Pages | 1328-1336 |
| Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | We have developed a sustainable method to produce NH3 directly from air using a plasma tandem-electrocatalysis system that operates via the N2−NOx−NH3 pathway. To efficiently reduce NO2− to NH3, we propose a novel electrocatalyst consisting of defective N-doped molybdenum sulfide nanosheets on vertical graphene arrays (N-MoS2/VGs). We used a plasma engraving process to form the metallic 1T phase, N doping, and S vacancies in the electrocatalyst simultaneously. Our system exhibited a remarkable NH3 production rate of 7.3 mg h−1 cm−2 at −0.53 V vs RHE, which is almost 100 times higher than the state-of-the-art electrochemical nitrogen reduction reaction and more than double that of other hybrid systems. Moreover, a low energy consumption of only 2.4 MJ molNH3−1 was achieved in this study. Density functional theory calculations revealed that S vacancies and doped N atoms play a dominant role in the selective reduction of NO2− to NH3. This study opens up new avenues for efficient NH3 production using cascade systems. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000981779300001 | Publication Date | 2023-05-22 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2691-3704 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | Open Access | Not_Open_Access | ||
| Notes | ACKNOWLEDGMENTS This work was supported by the National Natural Science Foundation of China (51976191, 5227060056, 52276214) and the National Key Technologies R&D Program of China (2018YFE0117300). N.G. was financially supported through an NWO Rubicon Grant (019.202EN.012). X.T. acknowl- edges the support of the Engineering and Physical Sciences Research Council (EP/X002713/1). | Approved | Most recent IF: NA | ||
| Call Number | PLASMANT @ plasmant @c:irua:196761 | Serial | 8792 | ||
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| Author | Tampieri, F.; Espona-Noguera, A.; Labay, C.; Ginebra, M.-P.; Yusupov, M.; Bogaerts, A.; Canal, C. | ||||
| Title | Does non-thermal plasma modify biopolymers in solution? A chemical and mechanistic study for alginate | Type |
A1 Journal Article | ||
| Year | 2023 | Publication | Biomaterials Science | Abbreviated Journal | |
| Volume | Issue | Pages | |||
| Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | In the last decades, non-thermal plasma has been extensively investigated as a relevant tool for various biomedical applications, ranging from tissue decontamination to regeneration and from skin treatment to tumor therapies. This high versatility is due to the different kinds and amount of reactive oxygen and nitrogen species that can be generated during a plasma treatment and put in contact with the biological target. Some recent studies report that solutions of biopolymers with the ability to generate hydrogels, when treated with plasma, can enhance the generation of reactive species and influence their stability, resulting thus in the ideal media for indirect treatments of biological targets. The direct effects of the plasma treatment on the structure of biopolymers in water solution, as well as the chemical mechanisms responsible for the enhanced generation of RONS, are not yet fully understood. In this study, we aim at filling this gap by investigating, on the one hand, the nature and extent of the modifications induced by plasma treatment in alginate solutions, and, on the other hand, at using this information to explain the mechanisms responsible for the enhanced generation of reactive species as a consequence of the treatment. The approach we use is twofold: (i) investigating the effects of plasma treatment on alginate solutions, by size exclusion chromatography, rheology and scanning electron microscopy and (ii) study of a molecular model (glucuronate) sharing its chemical structure, by chromatography coupled with mass spectrometry and by molecular dynamics simulations. Our results point out the active role of the biopolymer chemistry during direct plasma treatment. Short-lived reactive species, such as OH radicals and O atoms, can modify the polymer structure, affecting its functional groups and causing partial fragmentation. Some of these chemical modifications, like the generation of organic peroxide, are likely responsible for the secondary generation of long-lived reactive species such as hydrogen peroxide and nitrite ions. This is relevant in view of using biocompatible hydrogels as vehicles for storage and delivery reactive species for targeted therapies. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000973699000001 | Publication Date | 2023-04-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2047-4830 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.6 | Times cited | Open Access | Not_Open_Access | |
| Notes | Agència de Gestió d’Ajuts Universitaris i de Recerca, SGR2022-1368 ; H2020 European Research Council, 714793 ; European Cooperation in Science and Technology, CA19110 CA20114 ; Secretaría de Estado de Investigación, Desarrollo e Innovación, PID2019-103892RB-I00/AEI/10.13039/501100011033 ; We thank Gonzalo Rodríguez Cañada and Xavier Solé-Martí (Universitat Politècnica de Catalunya) for help in collecting some of the experimental data and for the useful discussions. This work has been primarily funded by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement no. 714793). The authors acknowledge MINECO for PID2019103892RB-I00/AEI/10.13039/501100011033 project (CC). The authors belong to SGR2022-1368 (FT, AEN, CL, MPG, CC) and acknowledge Generalitat de Catalunya for the ICREA Academia Award for Excellence in Research of CC. We thank also COST Actions CA20114 (Therapeutical Applications of Cold Plasmas) and CA19110 (Plasma Applications for Smart and Sustainable Agriculture) for the stimulating environment provided. | Approved | Most recent IF: 6.6; 2023 IF: 4.21 | ||
| Call Number | PLASMANT @ plasmant @c:irua:196773 | Serial | 8794 | ||
| Permanent link to this record | |||||
| Author | Wang, J.; Zhang, K.; Mertens, M.; Bogaerts, A.; Meynen, V. | ||||
| Title | Plasma-based dry reforming of methane in a dielectric barrier discharge reactor: Importance of uniform (sub)micron packings/catalysts to enhance the performance | Type |
A1 Journal Article | ||
| Year | 2023 | Publication | APPLIED CATALYSIS B-ENVIRONMENTAL | Abbreviated Journal | |
| Volume | 337 | Issue | Pages | 122977 | |
| Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | This study presents new insights on the effect of (sub)micrometer particle sized materials in plasma-based CO2- CH4 reforming by investigating the performance of SiO2 spheres (with/without supported metal) of varying particle sizes. (Sub)micron particles synthesized through the St¨ober method were used instead of (sub)millimeter particles employed in previous studies. Increasing particle size (from 120 nm to 2390 nm) was found to first increase and then decrease conversion and energy yield, with optimal performance achieved using 740 nm 5 wt% Ni loaded SiO2, which improved CO2 and CH4 conversion, and energy yield to 44%, 55%, and 0.271 mmol/kJ, respectively, compared to 20%, 27%, and 0.116 mmol/kJ in an empty reactor at the same flow rate. This is the first to achieve significant performance improvement in a fully packed reactor, highlighting the importance of selecting a suitable particle size. The findings can offer guidance towards rational design of catalysts for plasmabased reactions. |
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| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001056527600001 | Publication Date | 2023-06-09 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0926-3373 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 22.1 | Times cited | Open Access | Not_Open_Access | |
| Notes | This work is supported by the China Scholarship Council (No. 201806060123); and the VLAIO Catalisti transition project CO2PERATE (HBC.2017.0692). K.Z acknowledges the EASiCHEM project funded by the Flemish Strategic Basic Research Program of the Catalisti cluster and Flanders Innovation & Entrepreneurship (HBC.2018.0484). | Approved | Most recent IF: 22.1; 2023 IF: 9.446 | ||
| Call Number | PLASMANT @ plasmant @c:irua:196955 | Serial | 8797 | ||
| Permanent link to this record | |||||
| Author | Wang, J.; Zhang, K.; Mertens, M.; Bogaerts, A.; Meynen, V. | ||||
| Title | Plasma-based dry reforming of methane in a dielectric barrier discharge reactor: Importance of uniform (sub)micron packings/catalysts to enhance the performance | Type |
A1 Journal Article | ||
| Year | 2023 | Publication | APPLIED CATALYSIS B-ENVIRONMENTAL | Abbreviated Journal | |
| Volume | 337 | Issue | Pages | 122977 | |
| Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | This study presents new insights on the effect of (sub)micrometer particle sized materials in plasma-based CO2- CH4 reforming by investigating the performance of SiO2 spheres (with/without supported metal) of varying particle sizes. (Sub)micron particles synthesized through the St¨ober method were used instead of (sub)millimeter particles employed in previous studies. Increasing particle size (from 120 nm to 2390 nm) was found to first increase and then decrease conversion and energy yield, with optimal performance achieved using 740 nm 5 wt% Ni loaded SiO2, which improved CO2 and CH4 conversion, and energy yield to 44%, 55%, and 0.271 mmol/kJ, respectively, compared to 20%, 27%, and 0.116 mmol/kJ in an empty reactor at the same flow rate. This is the first to achieve significant performance improvement in a fully packed reactor, highlighting the importance of selecting a suitable particle size. The findings can offer guidance towards rational design of catalysts for plasmabased reactions. |
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| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001056527600001 | Publication Date | 2023-06-09 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0926-3373 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 22.1 | Times cited | Open Access | Not_Open_Access | |
| Notes | This work is supported by the China Scholarship Council (No. 201806060123); and the VLAIO Catalisti transition project CO2PERATE (HBC.2017.0692). K.Z acknowledges the EASiCHEM project funded by the Flemish Strategic Basic Research Program of the Catalisti cluster and Flanders Innovation & Entrepreneurship (HBC.2018.0484). | Approved | Most recent IF: 22.1; 2023 IF: 9.446 | ||
| Call Number | PLASMANT @ plasmant @c:irua:196955 | Serial | 8798 | ||
| Permanent link to this record | |||||
| Author | Vertongen, R.; Bogaerts, A. | ||||
| Title | How important is reactor design for CO2 conversion in warm plasmas? | Type |
A1 Journal Article | ||
| Year | 2023 | Publication | Journal of CO2 Utilization | Abbreviated Journal | |
| Volume | 72 | Issue | Pages | 102510 | |
| Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | In this work, we evaluated several new electrode configurations for CO2 conversion in a gliding arc plasmatron (GAP) reactor. Although the reactor design influences the performance, the best results give only slightly higher CO2 conversion than the basic GAP reactor design, which indicates that this reactor may have reached its performance limits. Moreover, we compared our results to those of four completely different plasma reactors, also operating at atmospheric pressure and with contact between the plasma and the electrodes. Surprisingly, the performance of all these warm plasmas is very similar (CO2 conversion around 10 % for an energy efficiency around 30 %). In view of these apparent performance limits regarding the reactor design, we believe further improvements should focus on other aspects, such as the post-plasma-region where the implementation of nozzles or a carbon bed are promising. We summarize the performance of our GAP reactor by comparing the energy efficiency and CO2 conversion for all different plasma reactors reported in literature. We can conclude that the GAP is not the best plasma reactor, but its operation at atmospheric pressure makes it appealing for industrial application. We believe that future efforts should focus on process design, techno-economic assessments and large-scale demonstrations: these will be crucial to assess the real industrial potential of this warm plasma technology |
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| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001024970900001 | Publication Date | 2023-06-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2212-9820 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.7 | Times cited | Open Access | Not_Open_Access | |
| Notes | We acknowledge financial support from the Fund for Scientific Research (FWO) Flanders (Grant ID 110221N) and the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreements No 810182 – SCOPE ERC Synergy project and No. 101081162 — “PREPARE” ERC Proof of Concept project). We also thank I. Tsonev, P. Heirman, F. Girard-Sahun and G. Trenchev for the interesting discussions and practical help with the experiments, as well as J. Creel for his ideas on the inserted anode designs. | Approved | Most recent IF: 7.7; 2023 IF: 4.292 | ||
| Call Number | PLASMANT @ plasmant @c:irua:197044 | Serial | 8799 | ||
| Permanent link to this record | |||||
| Author | Adhami Sayad Mahaleh, M.; Narimisa, M.; Nikiforov, A.; Gromov, M.; Gorbanev, Y.; Bitar, R.; Morent, R.; De Geyter, N. | ||||
| Title | Nitrogen Oxidation in a Multi-Pin Plasma System in the Presence and Absence of a Plasma/Liquid Interface | Type |
A1 Journal Article | ||
| Year | 2023 | Publication | Applied Sciences | Abbreviated Journal | Applied Sciences |
| Volume | 13 | Issue | 13 | Pages | 7619 |
| Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | The recent energy crisis revealed that there is a strong need to replace hydrocarbon-fueled industrial nitrogen fixation processes by alternative, more sustainable methods. In light of this, plasma-based nitrogen fixation remains one of the most promising options, considering both theoretical and experimental aspects. Lately, plasma interacting with water has received considerable attention in nitrogen fixation applications as it can trigger a unique gas- and liquid-phase chemistry. Within this context, a critical exploration of plasma-assisted nitrogen fixation with or without water presence is of great interest with an emphasis on energy costs, particularly in plasma reactors which have potential for large-scale industrial application. In this work, the presence of water in a multi-pin plasma system on nitrogen oxidation is experimentally investigated by comparing two pulsed negative DC voltage plasmas in metal–metal and metal–liquid electrode configurations. The plasma setups are designed to create similar plasma properties, including plasma power and discharge regime in both configurations. The system energy cost is calculated, considering nitrogen-containing species generated in gas and liquid phases as measured by a gas analyzer, nitrate sensor, and a colorimetry method. The energy cost profile as a function of specific energy input showed a strong dependency on the plasma operational frequency and the gas flow rate, as a result of different plasma operation regimes and initiated reverse processes. More importantly, the presence of the plasma/liquid interface increased the energy cost up to 14 ± 8%. Overall, the results showed that the presence of water in the reaction zone has a negative impact on the nitrogen fixation process. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001031217300001 | Publication Date | 2023-06-28 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2076-3417 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.7 | Times cited | Open Access | Not_Open_Access | |
| Notes | NITROPLASM FWO-FNRS Excellence of Science, 30505023 ; European Union-NextGenerationEU, G0G2322N ; | Approved | Most recent IF: 2.7; 2023 IF: 1.679 | ||
| Call Number | PLASMANT @ plasmant @c:irua:198153 | Serial | 8802 | ||
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| Author | Abduvokhidov, D.; Yusupov, M.; Shahzad, A.; Attri, P.; Shiratani, M.; Oliveira, M.C.; Razzokov, J. | ||||
| Title | Unraveling the Transport Properties of RONS across Nitro-Oxidized Membranes | Type |
A1 Journal Article | ||
| Year | 2023 | Publication | Biomolecules | Abbreviated Journal | Biomolecules |
| Volume | 13 | Issue | 7 | Pages | 1043 |
| Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | The potential of cold atmospheric plasma (CAP) in biomedical applications has received significant interest, due to its ability to generate reactive oxygen and nitrogen species (RONS). Upon exposure to living cells, CAP triggers alterations in various cellular components, such as the cell membrane. However, the permeation of RONS across nitrated and oxidized membranes remains understudied. To address this gap, we conducted molecular dynamics simulations, to investigate the permeation capabilities of RONS across modified cell membranes. This computational study investigated the translocation processes of less hydrophilic and hydrophilic RONS across the phospholipid bilayer (PLB), with various degrees of oxidation and nitration, and elucidated the impact of RONS on PLB permeability. The simulation results showed that less hydrophilic species, i.e., NO, NO2, N2O4, and O3, have a higher penetration ability through nitro-oxidized PLB compared to hydrophilic RONS, i.e., HNO3, s-cis-HONO, s-trans-HONO, H2O2, HO2, and OH. In particular, nitro-oxidation of PLB, induced by, e.g., cold atmospheric plasma, has minimal impact on the penetration of free energy barriers of less hydrophilic species, while it lowers these barriers for hydrophilic RONS, thereby enhancing their translocation across nitro-oxidized PLB. This research contributes to a better understanding of the translocation abilities of RONS in the field of plasma biomedical applications and highlights the need for further analysis of their role in intracellular signaling pathways. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001035160000001 | Publication Date | 2023-06-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2218-273X | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | Open Access | Not_Open_Access | ||
| Notes | This research was funded by the Innovative Development Agency of the Republic of Uzbekistan, grant number FZ-2020092817. | Approved | Most recent IF: NA | ||
| Call Number | PLASMANT @ plasmant @c:irua:198154 | Serial | 8803 | ||
| Permanent link to this record | |||||
| Author | Loenders, B.; Michiels, R.; Bogaerts, A. | ||||
| Title | Is a catalyst always beneficial in plasma catalysis? Insights from the many physical and chemical interactions | Type |
A1 Journal Article | ||
| Year | 2023 | Publication | Journal of Energy Chemistry | Abbreviated Journal | Journal of Energy Chemistry |
| Volume | 85 | Issue | Pages | 501-533 | |
| Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | Plasma-catalytic dry reforming of CH4 (DRM) is promising to convert the greenhouse gasses CH4 and CO2 into value-added chemicals, thus simultaneously providing an alternative to fossil resources as feedstock for the chemical industry. However, while many experiments have been dedicated to plasma-catalytic DRM, there is no consensus yet in literature on the optimal choice of catalyst for targeted products, because the underlying mechanisms are far from understood. Indeed, plasma catalysis is very complex, as it encompasses various chemical and physical interactions between plasma and catalyst, which depend on many parameters. This complexity hampers the comparison of experimental results from different studies, which, in our opinion, is an important bottleneck in the further development of this promising research field. Hence, in this perspective paper, we describe the important physical and chemical effects that should be accounted for when designing plasma-catalytic experiments in general, highlighting the need for standardized experimental setups, as well as careful documentation of packing properties and reaction conditions, to further advance this research field. On the other hand, many parameters also create many windows of opportunity for further optimizing plasma-catalytic systems. Finally, various experiments also reveal the lack of improvement in plasma catalysis compared to plasma-only, specifically for DRM, but the underlying mechanisms are unclear. Therefore, we present our newly developed coupled plasma-surface kinetics model for DRM, to provide more insight in the underlying reasons. Our model illustrates that transition metal catalysts can adversely affect plasmacatalytic DRM, if radicals dominate the plasma-catalyst interactions. Thus, we demonstrate that a good understanding of the plasma-catalyst interactions is crucial to avoiding conditions at which these interactions negatively affect the results, and we provide some recommendations for improvement. For instance, we believe that plasma-catalytic DRM may benefit more from higher reaction temperatures, at which vibrational excitation can enhance the surface reactions. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2023-06-30 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2095-4956 | ISBN | Additional Links | UA library record | |
| Impact Factor | 13.1 | Times cited | Open Access | Not_Open_Access | |
| Notes | This research was supported by the FWO-SBO project PlasMa- CatDESIGN (FWO grant ID S001619N), the FWO fellowship of R. Michiels (FWO grant ID 1114921N), and the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No 810182 – SCOPE ERC Synergy project). The computational resources and services used in this work were provided by the HPC core facility CalcUA of the Universiteit Antwerpen, and VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government. | Approved | Most recent IF: 13.1; 2023 IF: 2.594 | ||
| Call Number | PLASMANT @ plasmant @c:irua:198159 | Serial | 8806 | ||
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| Author | Kelly, S.; Mercer, E.; De Meyer, R.; Ciocarlan, R.-G.; Bals, S.; Bogaerts, A. | ||||
| Title | Microwave plasma-based dry reforming of methane: Reaction performance and carbon formation | Type |
A1 Journal article | ||
| Year | 2023 | Publication | Journal of CO2 utilization | Abbreviated Journal | Journal of CO2 Utilization |
| Volume | 75 | Issue | Pages | 102564 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | e investigate atmospheric pressure microwave (MW) plasma (2.45 GHz) conversion in CO2 and CH4 mixtures (i.e., dry reforming of methane, DRM) focusing on reaction performance and carbon formation. Promising energy costs of ~2.8–3.0 eV/molecule or ~11.1–11.9 kJ/L are amongst the best performance to date considering the current state-of-the-art for plasma-based DRM for all types of plasma. The conversion is in the range of ~46–49% and ~55–67% for CO2 and CH4, respectively, producing primarily syngas (i.e., H2 and CO) with H2/CO ratios of ~0.6–1 at CH4 fractions ranging from 30% to 45%. Water is the largest byproduct with levels ranging ~7–14% in the exhaust. Carbon particles visibly impact the plasma at higher CH4 fractions (> 30%), where they become heated and incandescent. Particle luminosity increases with increasing CH4 fractions, with the plasma becoming unstable near a 1:1 mixture (i.e., > 45% CH4). Electron microscopy of the carbon material reveals an agglomerated morphology of pure carbon nanoparticles. The mean particle size is determined as ~20 nm, free of any metal contamination, consistent with the electrode-less MW design. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001065310000001 | Publication Date | 2023-08-10 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2212-9820 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.7 | Times cited | 6 | Open Access | OpenAccess |
| Notes | We acknowledge financial support by a European Space Agency (ESA) Open Science Innovation Platform study (contract no. 4000137001/21/NL/GLC/ov), the European Marie Skłodowska-Curie Individual Fellowship ‘‘PENFIX’’ within Horizon 2020 (grant no. 838181), the European Research Council (ERC) under the European Union’s Horizon 2020 Research and Innovation Program (grant no. 810182; SCOPE ERC Synergy project), the Excellence of Science FWOFNRS PLASyntH2 project (FWO grant no. G0I1822N and EOS no. 4000751) and the Methusalem project of the University of Antwerp | Approved | Most recent IF: 7.7; 2023 IF: 4.292 | ||
| Call Number | PLASMANT @ plasmant @c:irua:198155 | Serial | 8807 | ||
| Permanent link to this record | |||||
| Author | Vanraes, P.; Parayil Venugopalan, S.; Besemer, M.; Bogaerts, A. | ||||
| Title | Assessing neutral transport mechanisms in aspect ratio dependent etching by means of experiments and multiscale plasma modeling | Type |
A1 Journal Article | ||
| Year | 2023 | Publication | Plasma Sources Science and Technology | Abbreviated Journal | Plasma Sources Sci. Technol. |
| Volume | 32 | Issue | 6 | Pages | 064004 |
| Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | Since the onset of pattern transfer technologies for chip manufacturing, various strategies have been developed to circumvent or overcome aspect ratio dependent etching (ARDE). These methods have, however, their own limitations in terms of etch non-idealities, throughput or costs. Moreover, they have mainly been optimized for individual in-device features and die-scale patterns, while occasionally ending up with poor patterning of metrology marks, affecting the alignment and overlay in lithography. Obtaining a better understanding of the underlying mechanisms of ARDE and how to mitigate them therefore remains a relevant challenge to date, for both marks and advanced nodes. In this work, we accordingly assessed the neutral transport mechanisms in ARDE by means of experiments and multiscale modeling for SiO<sub>2</sub>etching with CHF<sub>3</sub>/Ar and CF<sub>4</sub>/Ar plasmas. The experiments revealed a local maximum in the etch rate for an aspect ratio around unity, i.e. the simultaneous occurrence of regular and inverse reactive ion etching lag for a given etch condition. We were able to reproduce this ARDE trend in the simulations without taking into account charging effects and the polymer layer thickness, suggesting shadowing and diffuse reflection of neutrals as the primary underlying mechanisms. Subsequently, we explored four methods with the simulations to regulate ARDE, by varying the incident plasma species fluxes, the amount of polymer deposition, the ion energy and angular distribution and the initial hardmask sidewall angle, for which the latter was found to be promising in particular. Although our study focusses on feature dimensions characteristic to metrology marks and back-end-of-the-line integration, the obtained insights have a broader relevance, e.g. to the patterning of advanced nodes. Additionally, this work supports the insight that physisorption may be more important in plasma etching at room temperature than originally thought, in line with other recent studies, a topic on which we recommend further research. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001021250100001 | Publication Date | 2023-06-01 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0963-0252 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.8 | Times cited | Open Access | Not_Open_Access | |
| Notes | P Vanraes acknowledges funding by ASML for the project ‘Computational simulation of plasma etching of trench structures’. P Vanraes and A Bogaerts want to express their gratitude to Mark J Kushner (University of Michigan) for the sharing of the HPEM and MCFPM codes, and for the interesting exchange of views. P Vanraes wishes to thank Violeta Georgieva and Stefan Tinck for the fruitful discussions on the HPEM code, Yu-Ru Zhang for an example of the CCP reactor code and Karel Venken for his technical help with the server maintenance and use. S P Venugopalan and M Besemer wish to thank Luigi Scaccabarozzi, Sander Wuister, Coen Verschuren, Michael Kubis, Kuan-Ming Chen, Ruben Maas, Huaichen Zhang and Julien Mailfert (ASML) for the insightful discussions. | Approved | Most recent IF: 3.8; 2023 IF: 3.302 | ||
| Call Number | PLASMANT @ plasmant @c:irua:197760 | Serial | 8811 | ||
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| Author | Khalilov, U.; Yusupov, M.; Eshonqulov, Gb.; Neyts, Ec.; Berdiyorov, Gr. | ||||
| Title | Atomic level mechanisms of graphene healing by methane-based plasma radicals | Type |
A1 Journal article | ||
| Year | 2023 | Publication | FlatChem | Abbreviated Journal | FlatChem |
| Volume | 39 | Issue | Pages | 100506 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | |||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000990342500001 | Publication Date | 2023-04-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2452-2627 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 6.2 | Times cited | Open Access | OpenAccess | |
| Notes | U.K., M.Y. and G.B.E. acknowledge the support of the Agency for Innovative Development of the Republic of Uzbekistan (Grant numbers F-FA-2021-512 and FZ-2020092435). The computational resources and services used in this work were partially provided by the HPC core facility CalcUA of the Universiteit Antwerpen and VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government. | Approved | Most recent IF: 6.2; 2023 IF: NA | ||
| Call Number | PLASMANT @ plasmant @c:irua:197442 | Serial | 8813 | ||
| Permanent link to this record | |||||
| Author | Tampieri, F.; Gorbanev, Y.; Sardella, E. | ||||
| Title | Plasma‐treated liquids in medicine: Let's get chemical | Type |
A1 Journal Article | ||
| Year | 2023 | Publication | Plasma Processes and Polymers | Abbreviated Journal | Plasma Processes & Polymers |
| Volume | 20 | Issue | 9 | Pages | e2300077 |
| Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | Fundamental and applied research on plasma‐treated liquids for biomedical applications was boosted in the last few years, dictated by their advantages with respect to direct treatments. However, often, the lack of consistent analysis at a molecular level of these liquids, and of the processes used to produce them, have raised doubts of their usefulness in the clinic. The aim of this article is to critically discuss some basic aspects related to the use of plasma‐treated liquids in medicine, with a focus on their chemical composition. We analyze the main liquids used in the field, how they are affected by non‐thermal plasmas, and the possibility to replicate them without plasma treatment. | ||||
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| Language | Wos | 001005060700001 | Publication Date | 2023-06-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1612-8850 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.5 | Times cited | Open Access | Not_Open_Access | |
| Notes | We thank COST Actions CA20114 (Therapeutical Applications of Cold Plasmas) and CA19110 (Plasma Applications for Smart and Sustainable Agriculture) for the stimulating environment provided. Francesco Tampieri wishes to thank Dr. Cristina Canal for the helpful discussion during the planning stage of this paper. | Approved | Most recent IF: 3.5; 2023 IF: 2.846 | ||
| Call Number | PLASMANT @ plasmant @c:irua:197386 | Serial | 8814 | ||
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| Author | Wanten, B.; Vertongen, R.; De Meyer, R.; Bogaerts, A. | ||||
| Title | Plasma-based CO2 conversion: How to correctly analyze the performance? | Type |
A1 journal article | ||
| Year | 2023 | Publication | Journal of Energy Chemistry | Abbreviated Journal | Journal of Energy Chemistry |
| Volume | 86 | Issue | Pages | 180-196 | |
| Keywords | A1 journal article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
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| Language | Wos | 001070885000001 | Publication Date | 2023-07-22 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 2095-4956 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 13.1 | Times cited | Open Access | Not_Open_Access | |
| Notes | We acknowledge financial support from the Fund for Scientific Research (FWO) Flanders (Grant ID 110221N), the European Research Council (ERC) under the European Union’s Horizon 2020 Research and Innovation Program (grant agreement No 810182 – SCOPE ERC Synergy project), and the Methusalem funding of the University of Antwerp. We acknowledge the icons from the graphical abstract made by dDara, geotatah, Spashicons and Freepik on www.flaticon.com. We also thank Stein Maerivoet, Joachim Slaets, Elizabeth Mercer, Colín Ó’Modráin, Joran Van Turnhout, Pepijn Heirman, dr. Yury Gorbanev, dr. Fanny Girard-Sahun and dr. Sean Kelly for the interesting discussions and feedback. | Approved | Most recent IF: 13.1; 2023 IF: 2.594 | ||
| Call Number | PLASMANT @ plasmant @c:irua:198709 | Serial | 8816 | ||
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| Author | Morais, E.; Bogaerts, A. | ||||
| Title | Modelling the dynamics of hydrogen synthesis from methane in nanosecond‐pulsed plasmas | Type |
A1 Journal Article | ||
| Year | 2024 | Publication | Plasma processes and polymers | Abbreviated Journal | Plasma Processes & Polymers |
| Volume | 21 | Issue | 1 | Pages | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | A chemical kinetics model was developed to characterise the gas‐phase dynamics of H<sub>2</sub>production in nanosecond‐pulsed CH<sub>4</sub>plasmas. Pulsed behaviour was observed in the calculated electric field, electron temperature and species densities at all pressures. The model agrees reasonably with experimental results, showing CH<sub>4</sub>conversion at 30% and C<sub>2</sub>H<sub>2</sub>and H<sub>2</sub>as major products. The underlying mechanisms in CH<sub>4</sub>dissociation and H<sub>2</sub>formation were analysed, highlighting the large contribution of vibrationally excited CH<sub>4</sub>and H<sub>2</sub>to coupling energy from the plasma into gas‐phase heating, and revealing that H<sub>2</sub>synthesis is not affected by applied pressure, with selectivity remaining unchanged at ~42% in the 1–5 bar range. | ||||
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| Language | Wos | 001091258700001 | Publication Date | 2023-10-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1612-8850 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.5 | Times cited | Open Access | Not_Open_Access | |
| Notes | We gratefully acknowledge financial support by the Flemish Government through the Moonshot cSBO project “Power‐to‐Olefins” (P2O; HBC.2020.2620) and funding from the Independent Research Fund Denmark (project nr. 0217‐00231B). | Approved | Most recent IF: 3.5; 2024 IF: 2.846 | ||
| Call Number | PLASMANT @ plasmant @c:irua:201192 | Serial | 8983 | ||
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| Author | Ndayirinde, C.; Gorbanev, Y.; Ciocarlan, R.-G.; De Meyer, R.; Smets, A.; Vlasov, E.; Bals, S.; Cool, P.; Bogaerts, A. | ||||
| Title | Plasma-catalytic ammonia synthesis : packed catalysts act as plasma modifiers | Type |
A1 Journal article | ||
| Year | 2023 | Publication | Catalysis today | Abbreviated Journal | |
| Volume | 419 | Issue | Pages | 114156-12 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | We studied the plasma-catalytic production of NH3 from H2 and N2 in a dielectric barrier discharge plasma reactor using five different Co-based catalysts supported on Al2O3, namely Co/Al2O3, CoCe/Al2O3, CoLa/Al2O3, CoCeLa/Al2O3 and CoCeMg/Al2O3. The catalysts were characterized via several techniques, including SEM-EDX, and their performance was compared. The best performing catalyst was found to be CoLa/Al2O3, but the dif-ferences in NH3 concentration, energy consumption and production rate between the different catalysts were limited under the same conditions (i.e. feed gas, flow rate and ratio, and applied power). At the same time, the plasma properties, such as the plasma power and current profile, varied significantly depending on the catalyst. Taken together, these findings suggest that in the production of NH3 by plasma catalysis, our catalysts act as plasma modifiers, i.e., they change the discharge properties and hence the gas phase plasma chemistry. Importantly, this effect dominates over the direct catalytic effect (as e.g. in thermal catalysis) defined by the chemistry on the catalyst surface. | ||||
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| Language | Wos | 000987221300001 | Publication Date | 2023-04-10 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0920-5861 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.3 | Times cited | 3 | Open Access | OpenAccess |
| Notes | This research was supported by the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (grant agreement No 810182 – SCOPE ERC Synergy project) and the Methusalem project of the University of Antwerp. We also gratefully acknowledge the NH3-TPD analysis performed by Sander Bossier. | Approved | Most recent IF: 5.3; 2023 IF: 4.636 | ||
| Call Number | UA @ admin @ c:irua:197268 | Serial | 8917 | ||
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| Author | Ghasemitarei, M.; Ghorbi, T.; Yusupov, M.; Zhang, Y.; Zhao, T.; Shali, P.; Bogaerts, A. | ||||
| Title | Effects of Nitro-Oxidative Stress on Biomolecules: Part 1—Non-Reactive Molecular Dynamics Simulations | Type |
A1 Journal Article | ||
| Year | 2023 | Publication | Biomolecules | Abbreviated Journal | Biomolecules |
| Volume | 13 | Issue | 9 | Pages | 1371 |
| Keywords | A1 Journal Article; plasma medicine; reactive oxygen and; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | Plasma medicine, or the biomedical application of cold atmospheric plasma (CAP), is an expanding field within plasma research. CAP has demonstrated remarkable versatility in diverse biological applications, including cancer treatment, wound healing, microorganism inactivation, and skin disease therapy. However, the precise mechanisms underlying the effects of CAP remain incompletely understood. The therapeutic effects of CAP are largely attributed to the generation of reactive oxygen and nitrogen species (RONS), which play a crucial role in the biological responses induced by CAP. Specifically, RONS produced during CAP treatment have the ability to chemically modify cell membranes and membrane proteins, causing nitro-oxidative stress, thereby leading to changes in membrane permeability and disruption of cellular processes. To gain atomic-level insights into these interactions, non-reactive molecular dynamics (MD) simulations have emerged as a valuable tool. These simulations facilitate the examination of larger-scale system dynamics, including protein-protein and protein-membrane interactions. In this comprehensive review, we focus on the applications of non-reactive MD simulations in studying the effects of CAP on cellular components and interactions at the atomic level, providing a detailed overview of the potential of CAP in medicine. We also review the results of other MD studies that are not related to plasma medicine but explore the effects of nitro-oxidative stress on cellular components and are therefore important for a broader understanding of the underlying processes. | ||||
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| Language | Wos | 001071356400001 | Publication Date | 2023-09-11 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 2218-273X | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | Open Access | Not_Open_Access | ||
| Notes | This research received no external funding. | Approved | Most recent IF: NA | ||
| Call Number | PLASMANT @ plasmant @c:irua:200380 | Serial | 8958 | ||
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| Author | Meng, S.; Wu, L.; Liu, M.; Cui, Z.; Chen, Q.; Li, S.; Yan, J.; Wang, L.; Wang, X.; Qian, J.; Guo, H.; Niu, J.; Bogaerts, A.; Yi, Y. | ||||
| Title | Plasma‐driven<scp>CO2</scp>hydrogenation to<scp>CH3OH</scp>over<scp>Fe2O3</scp>/<scp>γ‐Al2O3</scp>catalyst | Type |
A1 Journal Article | ||
| Year | 2023 | Publication | AIChE Journal | Abbreviated Journal | AIChE Journal |
| Volume | 69 | Issue | 10 | Pages | e18154 |
| Keywords | A1 Journal Article; chemisorbed oxygen, CO2 hydrogenation, iron-based catalyst, methanol production, plasma catalysis; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | We report a plasma‐assisted CO<sub>2</sub>hydrogenation to CH<sub>3</sub>OH over Fe<sub>2</sub>O<sub>3</sub>/γ‐Al<sub>2</sub>O<sub>3</sub>catalysts, achieving 12% CO<sub>2</sub>conversion and 58% CH<sub>3</sub>OH selectivity at a temperature of nearly 80°C atm pressure. We investigated the effect of various supports and loadings of the Fe‐based catalysts, as well as optimized reaction conditions. We characterized catalysts by X‐ray powder diffraction (XRD), hydrogen temperature programmed reduction (H<sub>2</sub>‐TPR), CO<sub>2</sub>and CO temperature programmed desorption (CO<sub>2</sub>/CO‐TPD), high‐resolution transmission electron microscopy (HRTEM), scanning transmission electron microscopy (STEM), x‐ray photoelectron spectroscopy (XPS), Mössbauer, and Fourier transform infrared<bold>(</bold>FTIR). The XPS results show that the enhanced CO<sub>2</sub>conversion and CH<sub>3</sub>OH selectivity are attributed to the chemisorbed oxygen species on Fe<sub>2</sub>O<sub>3</sub>/γ‐Al<sub>2</sub>O<sub>3</sub>. Furthermore, the diffuse reflectance infrared Fourier transform spectroscopy (DRIFTs) and TPD results illustrate that the catalysts with stronger CO<sub>2</sub>adsorption capacity exhibit a higher reaction performance.<italic>In situ</italic>DRIFTS gain insight into the specific reaction pathways in the CO<sub>2</sub>/H<sub>2</sub>plasma. This study reveals the role of chemisorbed oxygen species as a key intermediate, and inspires to design highly efficient catalysts and expand the catalytic systems for CO<sub>2</sub>hydrogenation to CH<sub>3</sub>OH. | ||||
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| Language | Wos | 001022420000001 | Publication Date | 2023-07-07 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0001-1541 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.7 | Times cited | Open Access | Not_Open_Access | |
| Notes | Fundamental Research Funds for the Central Universities, DUT18JC42 ; National Natural Science Foundation of China, 21908016 21978032 ; | Approved | Most recent IF: 3.7; 2023 IF: 2.836 | ||
| Call Number | PLASMANT @ plasmant @c:irua:197829 | Serial | 8959 | ||
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