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Author | Brault, P.; Chamorro-Coral, W.; Chuon, S.; Caillard, A.; Bauchire, J.-M.; Baranton, S.; Coutanceau, C.; Neyts, E. | ||||
Title | Molecular dynamics simulations of initial Pd and PdO nanocluster growth in a magnetron gas aggregation source | Type | A1 Journal article | ||
Year | 2019 | Publication | Frontiers of Chemical Science and Engineering | Abbreviated Journal | Front Chem Sci Eng |
Volume | 13 | Issue | 2 | Pages | 324-329 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Molecular dynamics simulations are carried out for describing growth of Pd and PdO nanoclusters using the ReaxFF force field. The resulting nanocluster structures are successfully compared to those of nanoclusters experimentally grown in a gas aggregation source. The PdO structure is quasi-crystalline as revealed by high resolution transmission microscope analysis for experimental PdO nanoclusters. The role of the nanocluster temperature in the molecular dynamics simulated growth is highlighted. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000468848400009 | Publication Date | 2019-03-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2095-0179 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.712 | Times cited | 3 | Open Access | Not_Open_Access |
Notes | Approved | Most recent IF: 1.712 | |||
Call Number | UA @ admin @ c:irua:160278 | Serial | 5276 | ||
Permanent link to this record | |||||
Author | Gou, F.; Neyts, E.; Eckert, M.; Tinck, S.; Bogaerts, A. | ||||
Title | Molecular dynamics simulations of Cl+ etching on a Si(100) surface | Type | A1 Journal article | ||
Year | 2010 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
Volume | 107 | Issue | 11 | Pages | 113305,1-113305,6 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Molecular dynamics simulations using improved TersoffBrenner potential parameters were performed to investigate Cl+ etching of a {2×1} reconstructed Si(100) surface. Steady-state Si etching accompanying the Cl coverage of the surface is observed. Furthermore, a steady-state chlorinated reaction layer is formed. The thickness of this reaction layer is found to increase with increasing energy. The stoichiometry of SiClx species in the reaction layer is found to be SiCl:SiCl2:SiCl3 = 1.0:0.14:0.008 at 50 eV. These results are in excellent agreement with available experimental data. While elemental Si products are created by physical sputtering, most SiClx (0<x<4) etch products are produced by chemical-enhanced physical sputtering. | ||||
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Corporate Author | Thesis | ||||
Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000278907100018 | Publication Date | 2010-06-04 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-8979; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.068 | Times cited | 15 | Open Access | |
Notes | Approved | Most recent IF: 2.068; 2010 IF: 2.079 | |||
Call Number | UA @ lucian @ c:irua:82663 | Serial | 2175 | ||
Permanent link to this record | |||||
Author | Neyts, E.; Bogaerts, A.; Gijbels, R.; Benedikt, J.; van den Sanden, M.C.M. | ||||
Title | Molecular dynamics simulations for the growth of diamond-like carbon films from low kinetic energy species | Type | A1 Journal article | ||
Year | 2004 | Publication | Diamond and related materials | Abbreviated Journal | Diam Relat Mater |
Volume | 13 | Issue | Pages | 1873-1881 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | |||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000223883400021 | Publication Date | 2004-07-30 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0925-9635; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.561 | Times cited | 53 | Open Access | |
Notes | Approved | Most recent IF: 2.561; 2004 IF: 1.670 | |||
Call Number | UA @ lucian @ c:irua:48276 | Serial | 2173 | ||
Permanent link to this record | |||||
Author | Neyts, E.; Bogaerts, A.; Gijbels, R.; Benedikt, J.; van de Sanden, M.C.M. | ||||
Title | Molecular dynamics simulation of the impact behaviour of various hydrocarbon species on DLC | Type | A1 Journal article | ||
Year | 2005 | Publication | Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms | Abbreviated Journal | Nucl Instrum Meth B |
Volume | 228 | Issue | Pages | 315-318 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | |||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000226669800052 | Publication Date | 2004-12-06 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0168-583X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.109 | Times cited | 19 | Open Access | |
Notes | Approved | Most recent IF: 1.109; 2005 IF: 1.181 | |||
Call Number | UA @ lucian @ c:irua:49873 | Serial | 2172 | ||
Permanent link to this record | |||||
Author | Chen, Z.; Yu, M.Y.; Luo, H. | ||||
Title | Molecular dynamics simulation of dust clusters in plasmas | Type | A1 Journal article | ||
Year | 2005 | Publication | Physica scripta | Abbreviated Journal | Phys Scripta |
Volume | 71 | Issue | 6 | Pages | 638-643 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Finite and infinite three-dimensional dust systems and their configurational and transport properties are investigated by Molecular Dynamics simulation. The model dust-dust interaction potential includes an attraction part. Spherical dust clusters or balls are found and their structural and transport properties studied. Qualitatively, the cluster structure agrees well with recent experimental results. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Stockholm | Editor | ||
Language | Wos | 000230087300010 | Publication Date | 2006-01-14 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0031-8949;1402-4896; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.28 | Times cited | 13 | Open Access | |
Notes | Approved | Most recent IF: 1.28; 2005 IF: 1.240 | |||
Call Number | UA @ lucian @ c:irua:95096 | Serial | 2169 | ||
Permanent link to this record | |||||
Author | Van Pottelberge, R.; Moldovan, D.; Milovanović, S.P.; Peeters, F.M. | ||||
Title | Molecular collapse in monolayer graphene | Type | A1 Journal article | ||
Year | 2019 | Publication | 2D materials | Abbreviated Journal | 2D Mater |
Volume | 6 | Issue | 4 | Pages | 045047 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Atomic collapse is a phenomenon inherent to relativistic quantum mechanics where electron states dive in the positron continuum for highly charged nuclei. This phenomenon was recently observed in graphene. Here we investigate a novel collapse phenomenon when multiple sub- and supercritical charges of equal strength are put close together as in a molecule. We construct a phase diagram which consists of three distinct regions: (1) subcritical, (2) frustrated atomic collapse, and (3) molecular collapse. We show that the single impurity atomic collapse resonances rearrange themselves to form molecular collapse resonances which exhibit a distinct bonding, anti-bonding and non-bonding character. Here we limit ourselves to systems consisting of two and three charges. We show that by tuning the distance between the charges and their strength a high degree of control over the molecular collapse resonances can be achieved. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000487692200003 | Publication Date | 2019-08-30 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2053-1583 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.937 | Times cited | 10 | Open Access | |
Notes | ; We thank Matthias Van der Donck for fruitful discussions. This work was supported by the Research Foundation of Flanders (FWO-V1) through an aspirant research Grant for RVP and a postdoctoral Grant for SPM. ; | Approved | Most recent IF: 6.937 | ||
Call Number | UA @ admin @ c:irua:163756 | Serial | 5422 | ||
Permanent link to this record | |||||
Author | Wang, J.; Andelkovic, M.; Wang, G.; Peeters, F.M. | ||||
Title | Molecular collapse in graphene: Sublattice symmetry effect | Type | A1 Journal article | ||
Year | 2020 | Publication | Physical Review B | Abbreviated Journal | Phys Rev B |
Volume | 102 | Issue | 6 | Pages | 064108-8 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Atomic collapse can be observed in graphene because of its large “effective” fine structure constant, which enables this phenomenon to occur for an impurity charge as low as Z(c) similar to 1-2. Here we investigate the effect of the sublattice symmetry on molecular collapse in two spatially separated charge tunable vacancies, which are located on the same (A-A type) or different (A-B type) sublattices. We find that the broken sublattice symmetry: (1) does not affect the location of the main bonding and antibonding molecular collapse peaks, (2) but shifts the position of the satellite peaks, because they are a consequence of the breaking of the local sublattice symmetry, and (3) there are vacancy characteristic collapse peaks that only occur for A-B type vacancies, which can be employed to distinguish them experimentally from the A-A type. As the charge, energy, and separation distance increase, the additional collapse features merge with the main molecular collapse peaks. We show that the spatial distribution around the vacancy site of the collapse states allows us to differentiate the molecular from the frustrated collapse. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000562320700002 | Publication Date | 2020-08-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2469-9969; 2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.7 | Times cited | 3 | Open Access | |
Notes | ; This work was supported by the National Natural Science Foundation of China (Grants No. 61874038 and No. 61704040), National Key R&D Program Grant 2018YFE0120000, the scholarship from China Scholarship Council (CSC: 201908330548), and TRANS2DTMD FlagEra project. ; | Approved | Most recent IF: 3.7; 2020 IF: 3.836 | ||
Call Number | UA @ admin @ c:irua:172065 | Serial | 6562 | ||
Permanent link to this record | |||||
Author | Bafekry, A.; Nguyen, C.; Obeid, M.M.; Ghergherehchi, M. | ||||
Title | Modulating the electro-optical properties of doped C₃N monolayers and graphene bilayersviamechanical strain and pressure | Type | A1 Journal article | ||
Year | 2020 | Publication | New Journal Of Chemistry | Abbreviated Journal | New J Chem |
Volume | 44 | Issue | 36 | Pages | 15785-15792 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | In this work, we investigated systematically the electronic and optical properties of B doped C3N monolayers as well as B and N doped graphene bilayers (BN-Gr@2L). We found that the doping of B atoms leads to an enlarged band gap of the C3N monolayer and when the dopant concentration reaches 12.5%, an indirect-to-direct band gap switching occurs. In addition, with co-doping of B and N atoms on the graphene monolayer in the hexagonal configuration, an electronic transition from semi-metal to semiconductor occurs. Our optical results for B-C3N show a broad absorption spectrum in a wide visible range starting from 400 nm to 1000 nm with strong absorption intensity, making it a suitable candidate for nanoelectronic and optoelectronic applications. Interestingly, a transition from semi-metal to semiconductor emerges in the graphene monolayer with doping of B and N atoms. Furthermore, our results demonstrate that the in-plane strain and out-of-plane strain (pressure) can modulate the band gap of the BN-Gr@2L. The controllable electronic properties and optical features of the doped graphene bilayer by strain engineering may facilitate their practical performance for various applications in future. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000571972400054 | Publication Date | 2020-08-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1144-0546 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.3 | Times cited | 7 | Open Access | |
Notes | ; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korean government (MSIT) (NRF-2017R1A2B2011989). ; | Approved | Most recent IF: 3.3; 2020 IF: 3.269 | ||
Call Number | UA @ admin @ c:irua:171936 | Serial | 6561 | ||
Permanent link to this record | |||||
Author | Shaw, P.; Kumar, N.; Sahun, M.; Smits, E.; Bogaerts, A.; Privat-Maldonado, A. | ||||
Title | Modulating the Antioxidant Response for Better Oxidative Stress-Inducing Therapies: How to Take Advantage of Two Sides of the Same Medal? | Type | A1 Journal article | ||
Year | 2022 | Publication | Biomedicines | Abbreviated Journal | Biomedicines |
Volume | 10 | Issue | 4 | Pages | 823 |
Keywords | A1 Journal article; Pharmacology. Therapy; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Center for Oncological Research (CORE) | ||||
Abstract | Oxidative stress-inducing therapies are characterized as a specific treatment that involves the production of reactive oxygen and nitrogen species (RONS) by external or internal sources. To protect cells against oxidative stress, cells have evolved a strong antioxidant defense system to either prevent RONS formation or scavenge them. The maintenance of the redox balance ensures signal transduction, development, cell proliferation, regulation of the mechanisms of cell death, among others. Oxidative stress can beneficially be used to treat several diseases such as neurodegenerative disorders, heart disease, cancer, and other diseases by regulating the antioxidant system. Understanding the mechanisms of various endogenous antioxidant systems can increase the therapeutic efficacy of oxidative stress-based therapies, leading to clinical success in medical treatment. This review deals with the recent novel findings of various cellular endogenous antioxidant responses behind oxidative stress, highlighting their implication in various human diseases, such as ulcers, skin pathologies, oncology, and viral infections such as SARS-CoV-2. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000785420400001 | Publication Date | 2022-03-31 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2227-9059 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | OpenAccess | ||
Notes | Science and Engineering Research Board (SERB), Core Research Grant, Department of Science and Technology, India., (CRG/2021/001935) ; Department of Biotechnology, BT/RLF/Re-entry/27/2019 ; We are grateful to Charlotta Bengtson for her valuable input. | Approved | Most recent IF: NA | ||
Call Number | PLASMANT @ plasmant @c:irua:187931 | Serial | 7051 | ||
Permanent link to this record | |||||
Author | Filippousi, M.; Siafaka, P.I.; Amanatiadou, E.P.; Nanaki, S.G.; Nerantzaki, M.; Bikiaris, D.N.; Vizirianakis, I.S.; Van Tendeloo, G. | ||||
Title | Modified chitosan coated mesoporous strontium hydroxyapatite nanorods as drug carriers | Type | A1 Journal article | ||
Year | 2015 | Publication | Journal of materials chemistry B : materials for biology and medicine | Abbreviated Journal | J Mater Chem B |
Volume | 3 | Issue | 3 | Pages | 5991-6000 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Mesoporous strontium hydroxyapatite (SrHAp) nanorods (NRs) have been successfully synthesized using a simple and efficient chemical route, i.e. the hydrothermal method. Structural and morphological characterization of the as-synthesized SrHAp NRs have been performed by transmission electron microscopy (TEM) and high angle annular dark field scanning transmission electron microscopy (HAADF-STEM). TEM and HAADF-STEM measurements of the NRs reveal the coexistence of longer and shorter particles with the length ranging from 50 nm to 400 nm and a diameter of about 20-40 nm. Electron tomography measurements of the NRs allow us to better visualize the mesopores and their facets. Two model drugs, hydrophobic risperidone and hydrophilic pramipexole, were loaded into the SrHAp NRs. These nanorods were coated using a modified chitosan (CS) with poly(2-hydroxyethyl methacrylate) (PHEMA), in order to encapsulate the drug-loaded SrHAp nanoparticles and reduce the cytotoxicity of the loaded materials. The drug release from neat and encapsulated SrHAp NRs mainly depends on the drug hydrophilicity. Importantly, although neat SrHAp nanorods exhibit some cytotoxicity against Caco-2 cells, the Cs-g-PHEMA-SrHAp drug-loaded nanorods show an acceptable cytocompatibility. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Cambridge | Editor | ||
Language | Wos | 000358065100009 | Publication Date | 2015-06-10 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2050-750X;2050-7518; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.543 | Times cited | 24 | Open Access | |
Notes | Approved | Most recent IF: 4.543; 2015 IF: 4.726 | |||
Call Number | c:irua:127131 | Serial | 2161 | ||
Permanent link to this record | |||||
Author | Titantah, J.T.; Lamoen, D.; Schowalter, M.; Rosenauer, A. | ||||
Title | Modified atomic scattering amplitudes and size effects on the 002 and 220 electron structure factors of multiple Ga1-xInxAs/GaAs quantum wells | Type | A1 Journal article | ||
Year | 2009 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
Volume | 105 | Issue | 8 | Pages | 084310,1-084310,8 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The modified atomic scattering amplitudes (MASAs) of mixed Ga<sub>1-x</sub>In<sub>x</sub>As, GaAs<sub>1-x</sub>N<sub>x</sub>, and InAs<sub>1-x</sub>N<sub>x</sub> are calculated using the density functional theory approach and the results are compared with those of the binary counterparts. The MASAs of N, Ga, As, and In for various scattering vectors in various chemical environments and in the zinc-blende structure are compared with the frequently used Doyle and Turner values. Deviation from the Doyle and Turner results is found for small scattering vectors (s<0.3 Å<sup>-1</sup>) and for these scattering vectors the MASAs are found to be sensitive to the orientation of the scattering vector and on the chemical environment. The chemical environment sensitive MASAs are used within zero pressure classical Metropolis Monte Carlo, finite temperature calculations to investigate the effect of well size on the electron 002 and 220 structure factors (SFs). The implications of the use of the 002 (200) spot for the quantification of nanostructured Ga<sub>1-x</sub>In<sub>x</sub>As systems are examined while the 220 SF across the well is evaluated and is found to be very sensitive to the in-plane static displacements. | ||||
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Corporate Author | Thesis | ||||
Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000268064700149 | Publication Date | 2009-04-23 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-8979; | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 2.068 | Times cited | Open Access | ||
Notes | Fwo G.0425.05; Esteem 026019 | Approved | Most recent IF: 2.068; 2009 IF: 2.072 | ||
Call Number | UA @ lucian @ c:irua:78282 | Serial | 2160 | ||
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Author | Chen, J.H.; van Dyck, D.; op de Beeck, M.; Broeckx, J.; van Landuyt, J. | ||||
Title | Modification of the multislice method for calculating coherent STEM images | Type | A1 Journal article | ||
Year | 1995 | Publication | Physica status solidi: A: applied research | Abbreviated Journal | |
Volume | 150 | Issue | Pages | 13-22 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Berlin | Editor | ||
Language | Wos | A1995RQ21500002 | Publication Date | 2007-01-12 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0031-8965;1521-396X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 5 | Open Access | ||
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:13292 | Serial | 2159 | ||
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Author | de Keyser, A.; Bogaerts, R.; van Bockstal, L.; Herlach, F.; Karavolas, V.C.; Peeters, F.M.; van de Graaf, W.; Borghs, G. | ||||
Title | Modification of the 2D electronic properties in Si-δ-doped InSb due to surface effects | Type | P3 Proceeding | ||
Year | 1997 | Publication | Abbreviated Journal | ||
Volume | Issue | Pages | 383-386 | ||
Keywords | P3 Proceeding; Condensed Matter Theory (CMT) | ||||
Abstract | |||||
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Corporate Author | Thesis | ||||
Publisher | World Scientific | Place of Publication | Singapore | Editor | |
Language | Wos | Publication Date | 0000-00-00 | ||
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 | Most recent IF: NA | |||
Call Number | UA @ lucian @ c:irua:19303 | Serial | 2158 | ||
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Author | Napierala, C.; Lepoittevin, C.; Edely, M.; Sauques, L.; Giovanelli, F.; Laffez, P.; Van Tendeloo, G. | ||||
Title | Moderate pressure synthesis of rare earth nickelate with metal-insulator transition using polymeric precursors | Type | A1 Journal article | ||
Year | 2010 | Publication | Journal of solid state chemistry | Abbreviated Journal | J Solid State Chem |
Volume | 183 | Issue | 7 | Pages | 1663-1669 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Rare earth nickelates exhibit a reversible metalsemiconductor phase transition that is, in the infrared range, responsible for a thermo-optical contrast. The state of the art synthesis of these compounds usually requires high oxygen pressure to stabilize Ni in the oxidation state 3+. In this work, using polymeric precursor associated with moderate pressure annealing, we show that it is possible to obtain fully oxidized rare earth nickelate with metalinsulator transition. Using thermogravimetric analysis, X-ray diffraction and transmission electronic microscopy we compare different samples synthesized at different oxygen pressures and demonstrate their structural similarity. Thermo-optical properties were measured, in the infrared range, using reflectance measurements and confirmed the metalinsulator transition at 60 °C in both samples.TEM observations lead to the conclusion that the structure commonly obtained at 175 bar is perfectly observed in the 20 bar sample without major structural defects. The two samples exhibit a thermochromic behavior and thermo-optical properties of the two samples are equivalent. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000279711200028 | Publication Date | 2010-05-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-4596; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.299 | Times cited | 3 | Open Access | |
Notes | Approved | Most recent IF: 2.299; 2010 IF: 2.261 | |||
Call Number | UA @ lucian @ c:irua:83679 | Serial | 2156 | ||
Permanent link to this record | |||||
Author | Madani, M.; Bogaerts, A.; Gijbels, R.; Vangeneugden, D. | ||||
Title | Modelling of a dielectric barrier glow discharge at atmospheric pressure in nitrogen | Type | P3 Proceeding | ||
Year | 2002 | Publication | Abbreviated Journal | ||
Volume | Issue | Pages | 130-133 | ||
Keywords | P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | |||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | S.l. | Editor | ||
Language | Wos | Publication Date | 0000-00-00 | ||
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 | Most recent IF: NA | |||
Call Number | UA @ lucian @ c:irua:82299 | Serial | 2150 | ||
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Author | Bal, K.M.; Neyts, E.C. | ||||
Title | Modelling molecular adsorption on charged or polarized surfaces: a critical flaw in common approaches | Type | A1 Journal article | ||
Year | 2018 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
Volume | 20 | Issue | 13 | Pages | 8456-8459 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | A number of recent computational material design studies based on density functional theory (DFT) calculations have put forward a new class of materials with electrically switchable chemical characteristics that can be exploited in the development of tunable gas storage and electrocatalytic applications. We find systematic flaws in almost every computational study of gas adsorption on polarized or charged surfaces, stemming from an improper and unreproducible treatment of periodicity, leading to very large errors of up to 3 eV in some cases. Two simple corrective procedures that lead to consistent results are proposed, constituting a crucial course correction to the research in the field. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000428779700007 | Publication Date | 2018-03-12 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1463-9076 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.123 | Times cited | 8 | Open Access | OpenAccess |
Notes | K. M. B. is funded as PhD fellow (aspirant) of the FWO-Flanders (Research Foundation – Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government – department EWI. | Approved | Most recent IF: 4.123 | ||
Call Number | PLASMANT @ plasmant @c:irua:150357 | Serial | 4916 | ||
Permanent link to this record | |||||
Author | Moretti, M.; Van Passel, S.; Camposeo, S.; Pedrero, F.; Dogot, T.; Lebailly, P.; Vivaldi, G.A. | ||||
Title | Modelling environmental impacts of treated municipal wastewater reuse for tree crops irrigation in the Mediterranean coastal region | Type | A1 Journal article | ||
Year | 2019 | Publication | Science Of The Total Environment | Abbreviated Journal | Sci Total Environ |
Volume | 660 | Issue | 660 | Pages | 1513-1521 |
Keywords | A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) | ||||
Abstract | Wastewater reuse provides valuable solutions to solve the societal challenges of decreasing availability and limiting access to secure water resources. The present study quantifies the environmental performance of nectarine orchards irrigation using treated municipal wastewater (TMW) and surface water using a unique dataset based on field experimental data. Climate change, toxicity (for human and freshwater), eutrophication (marine and freshwater) and acidification impacts were analysed using the impact assessment method suggested by the International Reference Life Cycle Data System (ILCD). The water footprint associated to the life cycles of each system has been estimated using the Available WAter REmaining (AWARE) method. Monte Carlo simulation was used to assess data uncertainty. The irrigation of nectarine orchards using TMW performs better than the irrigation using surface water for eutrophication impact categories. Compared with surface water resources, the potential impacts of TMW reuse in agriculture on climate change and toxicity are affected by the wastewater treatment phase (WWT). Only eutrophication and acidification burdens are generated by in-field substitution of surface water with TMW. Considering human and ecosystem water demand, the irrigation with TMW increases water consumption of 19.12 m3 per kg of nectarine produced. Whereas, it shows a positive contribution to water stress (−0.19 m3) if only human water demand is considered. This study provides important results that allow for a better understanding of the potential environmental consequences of TMW reuse in agriculture. It suggests that embracing the type of WWTs, the replacement of fertilizers, the effects on water scarcity and ecosystem quality might be useful to redefine water reuse regulations and increase public acceptance for the reuse of TMW in agriculture. Moreover, this study reveals the need for developing consensus and standardized guidance for life cycle analysis of water reuse applications. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000457725700145 | Publication Date | 2019-01-06 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0048-9697 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles | |
Impact Factor | 4.9 | Times cited | 4 | Open Access | |
Notes | ; The authors would like to thank the EU, MIUR and FNRS for funding, in the frame of the collaborative international Consortium DESERT financed under the ERA-NET WaterWorks2014 Cofunded Call. This ERA-NET is an integral part of the 2015 Joint Activities developed by the “Water Challenges for a Changing World Joint Programme Initiative (Water JPI)”. G.A. Vivaldi would like to thank also the Regione Puglia for the support from the “Fondo di Sviluppo e Coesione” 2007-2013 – APQ Ricerca Regione Puglia “Programma regionale a sostegno della specializzazione intelligente e della sostenibilita sociale ed ambientale – FutureInResearch”. ; | Approved | Most recent IF: 4.9 | ||
Call Number | UA @ admin @ c:irua:156931 | Serial | 6227 | ||
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Author | Peng, L.; Kassotaki, E.; Liu, Y.; Sun, J.; Dai, X.; Pijuan, M.; Rodriguez-Roda, I.; Buttiglieri, G.; Ni, B.-J. | ||||
Title | Modelling cometabolic biotransformation of sulfamethoxazole by an enriched ammonia oxidizing bacteria culture | Type | A1 Journal article | ||
Year | 2017 | Publication | Chemical engineering science | Abbreviated Journal | |
Volume | 173 | Issue | Pages | 465-473 | |
Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | Antibiotics such as sulfamethoxazole (SFX) are environmentally hazardous after being released into the aquatic environment and challenges remain in the development of engineered prevention strategies. In this work, a mathematical model was developed to describe and evaluate cometabolic biotransformation of SFX and its transformation products (TPs) in an enriched ammonia oxidizing bacteria (AOB) culture. The growth-linked cometabolic biodegradation by AOB, non-growth transformation by AOB and nongrowth transformation by heterotrophs were considered in the model framework. The production of major TPs comprising 4-Nitro-SFX, Desamino-SFX and N-4-Acetyl-SFX was also specifically modelled. The validity of the model was demonstrated through testing against literature reported data from extensive batch tests, as well as from long-term experiments in a partial nitritation sequencing batch reactor (SBR) and in a combined SBR + membrane aerated biofilm reactor performing nitrification/denitrification. Modelling results revealed that the removal efficiency of SFX increased with the increase of influent ammonium concentration, whereas the influent organic matter, hydraulic retention time and solid retention time exerted a limited effect on SFX biodegradation with the removal efficiencies varying in a narrow range. The variation of influent SFX concentration had no impact on SFX removal efficiency. The established model framework enables interpretation of a range of experimental observations on SFX biodegradation and helps to identify the optimal conditions for efficient removal. (C) 2017 Elsevier Ltd. All rights reserved. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000411764200039 | Publication Date | 2017-08-14 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0009-2509 | 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:146629 | Serial | 8267 | ||
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Author | Kovács, A.; Billen, P.; Cornet, I.; Wijnants, M.; Neyts, E.C. | ||||
Title | Modeling the physicochemical properties of natural deep eutectic solvents : a review | Type | A1 Journal article | ||
Year | 2020 | Publication | Chemsuschem | Abbreviated Journal | Chemsuschem |
Volume | 13 | Issue | 15 | Pages | 3789-3804 |
Keywords | A1 Journal article; Engineering sciences. Technology; Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Biochemical Wastewater Valorization & Engineering (BioWaVE) | ||||
Abstract | Natural deep eutectic solvents (NADES) are mixtures of naturally derived compounds with a significantly decreased melting point due to the specific interactions among the constituents. NADES have benign properties (low volatility, flammability, toxicity, cost) and tailorable physicochemical properties (by altering the type and molar ratio of constituents), hence they are often considered as a green alternative to common organic solvents. Modeling the relation between their composition and properties is crucial though, both for understanding and predicting their behavior. Several efforts were done to this end, yet this review aims at structuring the present knowledge as an outline for future research. First, we reviewed the key properties of NADES and relate them to their structure based on the available experimental data. Second, we reviewed available modeling methods applicable to NADES. At the molecular level, density functional theory and molecular dynamics allow interpreting density differences and vibrational spectra, and computation of interaction energies. Additionally, properties at the level of the bulk media can be explained and predicted by semi-empirical methods based on ab initio methods (COSMO-RS) and equation of state models (PC-SAFT). Finally, methods based on large datasets are discussed; models based on group contribution methods and machine learning. A combination of bulk media and dataset modeling allows qualitative prediction and interpretation of phase equilibria properties on the one hand, and quantitative prediction of melting point, density, viscosity, surface tension and refractive indices on the other hand. In our view, multiscale modeling, combining the molecular and macroscale methods, will strongly enhance the predictability of NADES properties and their interaction with solutes, yielding truly tailorable solvents to accommodate (bio)chemical reactions. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000541499100001 | Publication Date | 2020-05-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1864-5631 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 8.4 | Times cited | Open Access | ||
Notes | Approved | Most recent IF: 8.4; 2020 IF: 7.226 | |||
Call Number | UA @ admin @ c:irua:168851 | Serial | 6770 | ||
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Author | Fitawok, M.B.; Derudder, B.; Minale, A.S.; Van Passel, S.; Adgo, E.; Nyssen, J. | ||||
Title | Modeling the Impact of Urbanization on Land-Use Change in Bahir Dar City, Ethiopia: An Integrated Cellular Automata–Markov Chain Approach | Type | A1 Journal Article | ||
Year | 2020 | Publication | Land | Abbreviated Journal | Land |
Volume | 9 | Issue | 4 | Pages | 115 |
Keywords | A1 Journal Article; analytical hierarchy process; cellular automata; land-use change; Markov chain; urbanization; Engineering Management (ENM) ; | ||||
Abstract | The fast-paced urbanization of recent decades entails that many regions are facing seemingly uncontrolled land-use changes (LUCs) that go hand in hand with a range of environmental and socio-economic challenges. In this paper, we use an integrated cellular automata–Markov chain (CA–MC) model to analyze and predict the urban expansion of and its impact on LUC in the city of Bahir Dar, Ethiopia. To this end, the research marshals high-resolution Landsat images of 1991, 2002, 2011, and 2018. An analytical hierarchy process (AHP) method is then used to identify the biophysical and socioeconomic factors underlying the expansion in the research area. It is shown that, during the period of study, built-up areas are rapidly expanding in the face of an overall decline of the farmland and vegetation cover. Drawing on a model calibration for 2018, the research predicts the possible geographies of LUC in the Bahir Dar area for 2025, 2034, and 2045. It is predicted that the conversions of other land-use types into built-up areas will persist in the southern, southwestern, and northeastern areas of the sprawling city, which can mainly be traced back to the uneven geographies of road accessibility, proximity to the city center, and slope variables. We reflect on how our findings can be used to facilitate sustainable urban development and land-use policies in the Bahir Dar area. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000533901100026 | Publication Date | 2020-04-09 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2073-445X | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | |||
Notes | The authors would like to thank the VLIR-UOS project for funding this research through Bahir Dar University—Institutional University Cooperation (BDU-IUC) program. | Approved | Most recent IF: NA | ||
Call Number | ENM @ enm @c:irua:169600 | Serial | 6381 | ||
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Author | Baly, L.; Quesada, I.; Murray, A.S.; Martin, G.; van Espen, P.; Arteche, R.; Jain, M. | ||||
Title | Modeling the charge deposition in quartz grains during natural irradiation and its influence on the optically stimulated luminescence signal | Type | A1 Journal article | ||
Year | 2021 | Publication | Radiation Measurements | Abbreviated Journal | Radiat Meas |
Volume | 142 | Issue | Pages | 106564 | |
Keywords | A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | The rate of charge deposition in quartz grains irradiated in natural conditions is computed by radiation transport modeling. Quartz luminescence models are modified with the addition of the resulting charge deposition term, and the influence of this process on the optically stimulated luminescence (OSL) signal is analyzed. The results indicate that the charge deposition occurring in the quartz grain during the time of residence within rock could lead to the depletion of trapped holes in the recombination centres. For the two different quartz models investigated here, complete depletion is expected to occur for rock ages between 500 Ma and 1100 Ma. It is predicted that for sedimentary quartz derived from such rocks, the OSL signal is dominated by the slow component. It was also found that the shape and saturation level of the natural sensitivity-corrected dose response curve (DRC) of quartz is affected by the charge deposition; specifically, a linear reduction of the saturation level with the age of the rock is observed. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000639160300003 | Publication Date | 2021-03-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1350-4487 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.442 | Times cited | Open Access | Not_Open_Access | |
Notes | Approved | Most recent IF: 1.442 | |||
Call Number | UA @ admin @ c:irua:178307 | Serial | 8265 | ||
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Author | O'Regan, T.P.; Hurley, P.K.; Sorée, B.; Fischetti, M.V. | ||||
Title | Modeling the capacitance-voltage response of In0.53Ga0.47As metal-oxide-semiconductor structures : charge quantization and nonparabolic corrections | Type | A1 Journal article | ||
Year | 2010 | Publication | Applied Physics Letters | Abbreviated Journal | Appl Phys Lett |
Volume | 96 | Issue | 21 | Pages | 213514,1-213514,3 |
Keywords | A1 Journal article; Electron Microscopy for Materials Science (EMAT); | ||||
Abstract | The capacitance-voltage (C-V) characteristic is calculated for p-type In<sub>0.53</sub>Ga<sub>0.47</sub>As metal-oxide-semiconductor (MOS) structures based on a self-consistent PoissonSchrödinger solution. For strong inversion, charge quantization leads to occupation of the satellite valleys which appears as a sharp increase in the capacitance toward the oxide capacitance. The results indicate that the charge quantization, even in the absence of interface defects (D<sub>it</sub>), is a contributing factor to the experimental observation of an almost symmetric C-V response for In<sub>0.53</sub>Ga<sub>0.47</sub>As MOS structures. In addition, nonparabolic corrections are shown to enhance the depopulation of the Γ valley, shifting the capacitance increase to lower inversion charge densities. | ||||
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Corporate Author | Thesis | ||||
Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000278183200090 | Publication Date | 2010-05-28 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0003-6951; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.411 | Times cited | 26 | Open Access | |
Notes | Approved | Most recent IF: 3.411; 2010 IF: 3.841 | |||
Call Number | UA @ lucian @ c:irua:89509 | Serial | 2143 | ||
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Author | Marazzi, E.; Ghojavand, A.; Pirard, J.; Petretto, G.; Charlier, J.-C.; Rignanese, G.-M. | ||||
Title | Modeling symmetric and defect-free carbon schwarzites into various zeolite templates | Type | A1 Journal article | ||
Year | 2023 | Publication | Carbon | Abbreviated Journal | |
Volume | 215 | Issue | Pages | 118385-118389 | |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Recently, a process has been proposed for generating negatively-curved carbon schwarzites via zeolite-templating (Braun et al., 2018). However, the proposed process leads to atomistic models which are not very symmetric and often rather defective. In the present work, an improved generation approach is developed, by imposing symmetry constraints, which systematically leads to defect-free, hence more stable, schwarzites. The stability of the newly predicted symmetric schwarzites is also compared to that of other carbon nanostructures (in particular carbon nanotubes – CNTs), which could also be accommodated within the same templates. Our results suggest that only a few of these (such as FAU, SBT and SBS) can fit schwarzites more stable than CNTs. Our predictions could help experimentalists in the crucial choice of the template for the challenging synthesis of schwarzites. Furthermore, being highly symmetric and stable phases, the models could also be synthesized by means of other experimental procedures. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 001078649800001 | Publication Date | 2023-09-04 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0008-6223 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 10.9 | Times cited | Open Access | ||
Notes | Approved | Most recent IF: 10.9; 2023 IF: 6.337 | |||
Call Number | UA @ admin @ c:irua:200314 | Serial | 9057 | ||
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Author | Martens, T.; Bogaerts, A.; Brok, W.J.M.; van der Mullen, J.J.A.M. | ||||
Title | Modeling study on the influence of the pressure on a dielectric barrier discharge microplasma | Type | A1 Journal article | ||
Year | 2007 | Publication | Journal of analytical atomic spectrometry | Abbreviated Journal | J Anal Atom Spectrom |
Volume | 22 | Issue | 9 | Pages | 1003-1042 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | |||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000248917300013 | Publication Date | 2007-06-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0267-9477;1364-5544; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.379 | Times cited | 17 | Open Access | |
Notes | Approved | Most recent IF: 3.379; 2007 IF: 3.269 | |||
Call Number | UA @ lucian @ c:irua:64791 | Serial | 2140 | ||
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Author | Wang, W.; Snoeckx, R.; Zhang, X.; Cha, M.S.; Bogaerts, A. | ||||
Title | Modeling Plasma-based CO2and CH4Conversion in Mixtures with N2, O2, and H2O: The Bigger Plasma Chemistry Picture | Type | A1 Journal article | ||
Year | 2018 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal | J Phys Chem C |
Volume | 122 | Issue | 16 | Pages | 8704-8723 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Because of the unique properties of plasma technology, its use in gas conversion applications is gaining significant interest around the globe. Plasma-based CO2 and CH4 conversion has become a major research area. Many investigations have already been performed regarding the single-component gases, that is, CO2 splitting and CH4 reforming, as well as for two-component mixtures, that is, dry reforming of methane (CO2/CH4), partial oxidation of methane (CH4/O2), artificial photosynthesis (CO2/H2O), CO2 hydrogenation (CO2/H2), and even first steps toward the influence of N2 impurities have been taken, that is, CO2/N2 and CH4/N2. In this Feature Article we briefly discuss the advances made in literature for these different steps from a plasma chemistry modeling point of view. Subsequently, we present a comprehensive plasma chemistry set, combining the knowledge gathered in this field so far and supported with extensive experimental data. This set can be used for chemical kinetics plasma modeling for all possible combinations of CO2, CH4, N2, O2, and H2O to investigate the bigger picture of the underlying plasmachemical pathways for these mixtures in a dielectric barrier discharge plasma. This is extremely valuable for the optimization of existing plasma-based CO2 conversion and CH4 reforming processes as well as for investigating the influence of N2, O2, and H2O on these processes and even to support plasma-based multireforming processes. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000431151200002 | Publication Date | 2018-04-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1932-7447 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.536 | Times cited | 28 | Open Access | OpenAccess |
Notes | Federaal Wetenschapsbeleid, IAP/7 ; King Abdullah University of Science and Technology; H2020 Marie Sklodowska-Curie Actions, 657304 ; Fonds Wetenschappelijk Onderzoek, G.0217.14N G.0383.16N G.0254.14N ; | Approved | Most recent IF: 4.536 | ||
Call Number | PLASMANT @ plasmant @c:irua:150969 | Serial | 4922 | ||
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Author | Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M. | ||||
Title | Modeling PECVD growth of nanostructured carbon materials | Type | A1 Journal article | ||
Year | 2009 | Publication | High temperature material processes | Abbreviated Journal | High Temp Mater P-Us |
Volume | 13 | Issue | 3/4 | Pages | 399-412 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | We present here some of our modeling efforts for PECVD growth of nanostructured carbon materials with focus on amorphous hydrogenated carbon. Experimental data from an expanding thermal plasma setup were used as input for the simulations. Attention was focused both on the film growth mechanism, as well as on the hydrocarbon reaction mechanisms during growth of the films. It is found that the reaction mechanisms and sticking coefficients are dependent on the specific surface sites, and the structural properties of the growth radicals. The film growth results are in correspondence with the experiment. Furthermore, it is found that thin a-C:H films can be densified using an additional H-flux towards the substrate. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000274202300012 | Publication Date | 2010-02-01 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1093-3611; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ lucian @ c:irua:80991 | Serial | 2138 | ||
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Author | Bogaerts, A.; De Bie, C.; Eckert, M.; Georgieva, V.; Martens, T.; Neyts, E.; Tinck, S. | ||||
Title | Modeling of the plasma chemistry and plasmasurface interactions in reactive plasmas | Type | A1 Journal article | ||
Year | 2010 | Publication | Pure and applied chemistry | Abbreviated Journal | Pure Appl Chem |
Volume | 82 | Issue | 6 | Pages | 1283-1299 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | In this paper, an overview is given of modeling activities going on in our research group, for describing the plasma chemistry and plasmasurface interactions in reactive plasmas. The plasma chemistry is calculated by a fluid approach or by hybrid Monte Carlo (MC)fluid modeling. An example of both is illustrated in the first part of the paper. The example of fluid modeling is given for a dielectric barrier discharge (DBD) in CH4/O2, to describe the partial oxidation of CH4 into value-added chemicals. The example of hybrid MCfluid modeling concerns an inductively coupled plasma (ICP) etch reactor in Ar/Cl2/O2, including also the description of the etch process. The second part of the paper deals with the treatment of plasmasurface interactions on the atomic level, with molecular dynamics (MD) simulations or a combination of MD and MC simulations. | ||||
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Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000279063900010 | Publication Date | 2010-04-21 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1365-3075;0033-4545; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.626 | Times cited | 13 | Open Access | |
Notes | Approved | Most recent IF: 2.626; 2010 IF: 2.134 | |||
Call Number | UA @ lucian @ c:irua:82108 | Serial | 2134 | ||
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Author | Van de Put, M.L. | ||||
Title | Modeling of quantum electron transport with applications in energy filtering nanostructures | Type | Doctoral thesis | ||
Year | 2016 | Publication | Abbreviated Journal | ||
Volume | Issue | Pages | |||
Keywords | Doctoral thesis; Condensed Matter Theory (CMT) | ||||
Abstract | |||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Antwerpen | Editor | ||
Language | Wos | Publication Date | |||
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 | Most recent IF: NA | |||
Call Number | UA @ lucian @ c:irua:138752 | Serial | 4357 | ||
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Author | Bogaerts, A.; Aerts, R.; Snoeckx, R.; Somers, W.; Van Gaens, W.; Yusupov, M.; Neyts, E. | ||||
Title | Modeling of plasma and plasma-surface interactions for medical, environmental and nano applications | Type | A1 Journal article | ||
Year | 2012 | Publication | Journal of physics : conference series | Abbreviated Journal | |
Volume | 399 | Issue | Pages | 012011 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | In this paper, an overview is given of modeling investigations carried out in our research group for a better understanding of plasmas used for medical, environmental and nano applications. The focus is both on modeling the plasma chemistry and the plasma-surface interactions. The plasma chemistry provides the densities and fluxes of the important plasma species. This information can be used as input when modeling the plasma-surface interactions. The combination of plasma simulations and plasma – surface interaction simulations provides a more comprehensive understanding of the underlying processes for these applications. | ||||
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Publisher | Place of Publication | Bristol | Editor | ||
Language | Wos | 000312261700011 | Publication Date | 2012-11-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1742-6588;1742-6596; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 7 | Open Access | ||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ lucian @ c:irua:104727 | Serial | 2130 | ||
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Author | Bogaerts, A.; Yan, M.; Gijbels, R.; Goedheer, W. | ||||
Title | Modeling of ionization of argon in an analytical capacitively coupled radio-frequency glow discharge | Type | A1 Journal article | ||
Year | 1999 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
Volume | 86 | Issue | 6 | Pages | 2990-3001 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | |||||
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Corporate Author | Thesis | ||||
Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000082232400010 | Publication Date | 2002-07-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-8979; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.068 | Times cited | 18 | Open Access | |
Notes | Approved | Most recent IF: 2.068; 1999 IF: 2.275 | |||
Call Number | UA @ lucian @ c:irua:28320 | Serial | 2127 | ||
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