Records |
Author |
van den Broek, B.; Houssa, M.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
Title |
First-principles electronic functionalization of silicene and germanene by adatom chemisorption |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
Volume |
291 |
Issue |
|
Pages |
104-108 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
This study presents first-principles results on the electronic functionalization of silicene and germanene monolayers by means of chemisorption of adatom species H, Li, F, Sc, Ti, V. Three general adatom-monolayer configurations are considered, each having its distinct effect on the electronic structure, yielding metallic or semiconducting dispersions depending on the adatom species and configuration. The induced bandgap is a (in)direct F gap ranging from 0.2 to 2.3 eV for both silicene and germanene. In general the alternating configuration was found to be the most energetically stable. The boatlike and chairlike conformers are degenerate with the former having anisotropic effective carrier masses. The top configuration leads to the planar monolayer and predominately to a gapped dispersion. The hollow configuration with V adatoms retains the Dirac cone, but with strong orbital planar hybridization at the Fermi level. We also observe a planar surface state the Fermi level for the latter systems. (C) 2013 Elsevier B.V. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000329327700023 |
Publication Date |
2013-09-17 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0169-4332; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.387 |
Times cited |
32 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.387; 2014 IF: 2.711 |
Call Number |
UA @ lucian @ c:irua:113766 |
Serial |
1208 |
Permanent link to this record |
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|
|
Author |
Lenaerts, J.; Gijbels, R.; van Vaeck, L.; Verlinden, G.; Geuens, I. |
Title |
Imaging TOF-SIMS for the surface analysis of silver halide microcrystals |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
Volume |
203/204 |
Issue |
|
Pages |
614-619 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000180527300138 |
Publication Date |
2002-12-30 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0169-4332; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.387 |
Times cited |
7 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.387; 2003 IF: 1.284 |
Call Number |
UA @ lucian @ c:irua:51974 |
Serial |
1556 |
Permanent link to this record |
|
|
|
Author |
de Witte, H.; Conard, T.; Vandervorst, W.; Gijbels, R. |
Title |
Ion-bombardment artifact in TOF-SIMS analysis of ZrO2/SiO2/Si stacks |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
Volume |
203 |
Issue |
|
Pages |
523-526 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
We analyzed ultra-thin ZrO2/SiO2/Si gate dielectrics under post-deposition anneals in dry O-2 at temperatures from 500 to 700 degreesC. TOF-SIMS profiling of ZrO2/SiO2/Si stacks is hampered by many sputter induced artifacts. The depletion of oxygen leads to a decrease in SIMS intensities. However, preferential sputtering is accompanied by transport of the depleted species towards the surface. Due to recoil implantation oxygen gets piled-up near the ZrO2/SiO2 interface. Either normal or radiation-enhanced diffusion transports oxygen back to the surface. Simultaneously also segregation of zirconium towards and through the interface is observed, resulting in a large zirconium tail in the underlying silicon substrate. (C) 2002 Elsevier Science B.V. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
Elsevier science bv |
Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000180527300119 |
Publication Date |
2002-12-30 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0169-4332; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.387 |
Times cited |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.387; 2003 IF: 1.284 |
Call Number |
UA @ lucian @ c:irua:51975 |
Serial |
1743 |
Permanent link to this record |
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|
|
Author |
Adriaensen, L.; Vangaever, F.; Gijbels, R. |
Title |
Organic SIMS: the influence of time on the ion yield enhancement by silver and gold deposition |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
Volume |
231/232 |
Issue |
|
Pages |
256-260 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000222427700049 |
Publication Date |
2004-04-28 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0169-4332; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.387 |
Times cited |
10 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.387; 2004 IF: 1.497 |
Call Number |
UA @ lucian @ c:irua:46804 |
Serial |
2510 |
Permanent link to this record |
|
|
|
Author |
Adriaensen, L.; Vangaever, F.; Lenaerts, J.; Gijbels, R. |
Title |
S-SIMS and MetA-SIMS study of organic additives in thin polymer coatings |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
Volume |
252 |
Issue |
19 |
Pages |
6628-6631 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000240609900057 |
Publication Date |
2006-06-20 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0169-4332; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.387 |
Times cited |
3 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.387; 2006 IF: 1.436 |
Call Number |
UA @ lucian @ c:irua:60083 |
Serial |
2937 |
Permanent link to this record |
|
|
|
Author |
Houssa, M.; van den Broek, B.; Scalise, E.; Ealet, B.; Pourtois, G.; Chiappe, D.; Cinquanta, E.; Grazianetti, C.; Fanciulli, M.; Molle, A.; Afanas’ev, V.V.; Stesmans, A.; |
Title |
Theoretical aspects of graphene-like group IV semiconductors |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
Volume |
291 |
Issue |
|
Pages |
98-103 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Silicene and germanene are the silicon and germanium counterparts of graphene, respectively. Recent experimental works have reported the growth of silicene on (1 1 1)Ag surfaces with different atomic configurations, depending on the growth temperature and surface coverage. We first theoretically study the structural and electronic properties of silicene on (1 1 1) Ag surfaces, focusing on the (4 x 4) silicene/Ag structure. Due to symmetry breaking in the silicene layer (nonequivalent number of top and bottom Si atoms), the corrugated silicene layer, with the Ag substrate removed, is predicted to be semiconducting, with a computed energy bandgap of about 0.3 eV. However, the hybridization between the Si 3p orbitals and the Ag 5s orbital in the silicene/(1 1 1)Ag slab model leads to an overall metallic system, with a distribution of local electronic density of states, which is related to the slightly disordered structure of the silicene layer on the (1 1 1)Ag surface. We next study the interaction of silicene and germanene with different hexagonal non-metallic substrates, namely ZnS and ZnSe. On reconstructed (0 0 0 1)ZnS or ZnSe surfaces, which should be more energetically stable for very thin layers, silicene and germanene are found to be semiconducting. Remarkably, the nature and magnitude of their energy bandgap can be controlled by an out-of-plane electric field, an important finding for the potential use of these materials in nanoelectronic devices. (C) 2013 Elsevier B. V. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000329327700022 |
Publication Date |
2013-09-18 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0169-4332; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.387 |
Times cited |
20 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.387; 2014 IF: 2.711 |
Call Number |
UA @ lucian @ c:irua:113765 |
Serial |
3603 |
Permanent link to this record |
|
|
|
Author |
Scalise, E.; Cinquanta, E.; Houssa, M.; van den Broek, B.; Chiappe, D.; Grazianetti, C.; Pourtois, G.; Ealet, B.; Molle, A.; Fanciulli, M.; Afanas’ev, V.V.; Stesmans, A.; |
Title |
Vibrational properties of epitaxial silicene layers on (111) Ag |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
Volume |
291 |
Issue |
|
Pages |
113-117 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The electronic and vibrational properties of three different reconstructions of silicene on Ag(1 1 1) are calculated and compared to experimental results. The 2D epitaxial silicon layers, namely the (4 x 4), (root 13 x root 13) and (2 root 3 x 2 root 3) phases, exhibit different electronic and vibrational properties. Few peaks in the experimental Raman spectrum are identified and attributed to the vibrational modes of the silicene layers. The position and behavior of the Raman peaks with respect to the excitation energy are shown to be a fundamental tool to investigate and discern different phases of silicene on Ag( 1 1 1). (C) 2013 Elsevier B.V. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000329327700025 |
Publication Date |
2013-09-01 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0169-4332; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.387 |
Times cited |
36 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.387; 2014 IF: 2.711 |
Call Number |
UA @ lucian @ c:irua:113767 |
Serial |
3843 |
Permanent link to this record |
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|
|
Author |
Nematollahi, P.; Neyts, E.C. |
Title |
A comparative DFT study on CO oxidation reaction over Si-doped BC2N nanosheet and nanotube |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
Volume |
439 |
Issue |
439 |
Pages |
934-945 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In this study, we performed density functional theory (DFT) calculations to investigate different reaction mechanisms of CO oxidation catalyzed by the Si atom embedded defective BC2N nanostructures as well as the analysis of the structural and electronic properties. The structures of all the complexes are optimized and characterized by frequency calculations at the M062X/6-31G* computational level. Also, The electronic structures and thermodynamic parameters of adsorbed CO and O-2 molecules over Si-doped BC2N nanostructures are examined in detail. Moreover, to investigate the curvature effect on the CO oxidation reaction, all the adsorption and CO oxidation reactions on a finite-sized armchair (6,6) Si-BC2NNT are also studied. Our results indicate that there can be two possible pathways for the CO oxidation with O-2 molecule: O-2(g) + CO(g) -> O-2(ads) + CO(ads) -> CO2(g) + O-(ads) and O-(ads) + CO(g) -> CO2(g). The first reaction proceeds via the Langmuir-Hinshelwood (LH) mechanism while the second goes through the Eley-Rideal (ER) mechanism. On the other hand, by increasing the tube diameter, the energy barrier increases due to the strong adsorption energy of the O-2 molecule which is related to its dissociation over the tube surface. Our calculations indicate that the two step energy barrier of the oxidation reaction over Si-BC2NNS is less than that over the Si-BC2NNT. Hence, Si-BC2NNS may serve as an efficient and highly activated substrate to CO oxidation rather than (4,4) Si-BC2NNT. (C) 2018 Elsevier B.V. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000427457100112 |
Publication Date |
2018-01-08 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0169-4332 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.387 |
Times cited |
8 |
Open Access |
Not_Open_Access |
Notes |
|
Approved |
Most recent IF: 3.387 |
Call Number |
UA @ lucian @ c:irua:150745 |
Serial |
4960 |
Permanent link to this record |
|
|
|
Author |
Nematollahi, P.; Neyts, E.C. |
Title |
Direct methane conversion to methanol on M and MN4 embedded graphene (M = Ni and Si): a comparative DFT study |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
Volume |
496 |
Issue |
496 |
Pages |
143618 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The ever increasing global production and dispersion of methane requires novel chemistry to transform it into easily condensable energy carriers that can be integrated into the chemical infrastructure. In this context, single atom catalysts have attracted considerable interest due to their outstanding catalytic activity. We here use density functional theory (DFT) computations to compare the reaction and activation energies of M and MN4 embedded graphene (M = Ni and Si) on the methane-to-methanol conversion near room temperature. Thermodynamically, conversion of methane to methanol is energetically favorable at ambient conditions. Both singlet and triplet spin state of the studied systems are considered in all of the calculations. The DFT results show that the barriers are significantly lower when the complexes are in the triplet state than in the singlet state. In particular, Si-G with the preferred spin multiplicity of triplet seems to be viable catalysts for methane oxidation thanks to the corresponding lower energy barriers and higher stability of the obtained configurations. Our results provide insights into the nature of methane conversion and may serve as guidance for fabricating cost-effective graphene-based single atom catalysts. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000488957400004 |
Publication Date |
2019-08-12 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0169-4332 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.387 |
Times cited |
2 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.387 |
Call Number |
UA @ admin @ c:irua:163695 |
Serial |
6294 |
Permanent link to this record |
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|
|
Author |
Foumani, A.A.; Forster, D.J.; Ghorbanfekr, H.; Weber, R.; Graf, T.; Niknam, A.R. |
Title |
Atomistic simulation of ultra-short pulsed laser ablation of metals with single and double pulses : an investigation of the re-deposition phenomenon |
Type |
A1 Journal article |
Year |
2021 |
Publication |
Applied Surface Science |
Abbreviated Journal |
Appl Surf Sci |
Volume |
537 |
Issue |
|
Pages |
147775 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The demand for higher throughput in the processing of materials with ultra-short pulsed lasers has motivated studies on the use of double pulses (DP). It has been observed in such studies that at relatively high time delays between the two pulses, the ablated volume is lower than that for a single pulse (SP). This has been attributed to the shielding of the second pulse and the re-deposition of the material removed by the first pulse. The investigation of re-deposition in copper with the aid of atomistic simulations is the main objective of this study. Nevertheless, a computational investigation of SP-ablation and experimental measurement of the SP-ablation depths and threshold fluence are also covered. The applied computational apparatus comprises a combination of molecular dynamics with the two-temperature model and the Helmholtz wave equation. The analysis of the simulation results shows that the derived quantities like the SP-ablation threshold fluence and the ratio of DP ablation depth to SP-ablation depth are in agreement with the experimental values. An important finding of this study is that the characteristics of the re-deposition process are highly dependent on the fluence. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000582798700006 |
Publication Date |
2020-09-13 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0169-4332 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.387 |
Times cited |
2 |
Open Access |
Not_Open_Access |
Notes |
; The authors thank the Center for High-Performance Computing at Shahid Beheshti University of Iran (SARMAD) for making available the computational resources required for this work. ; |
Approved |
Most recent IF: 3.387 |
Call Number |
UA @ admin @ c:irua:174299 |
Serial |
6683 |
Permanent link to this record |
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|
|
Author |
Nematollahi, P. |
Title |
Selectivity of Mo-NC sites for electrocatalytic N₂ reduction : a function of the single atom position on the surface and local carbon topologies |
Type |
A1 Journal article |
Year |
2023 |
Publication |
Applied surface science |
Abbreviated Journal |
|
Volume |
612 |
Issue |
|
Pages |
155908-155909 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Transition metal (TM) doped two-dimensional single-atom catalysts are known as a promising class of catalysts for electrocatalytic gas conversion. However, the detailed mechanisms that occur at the surface of these catalysts are still unknown. In the present work, we simulate three Mo-doped nitrogenated graphene structures. In each catalyst, the position of the Mo active site and the corresponding local carbon topologies are different, i.e. MoN4C10 with in-plane Mo atom, MoN4C8 in which Mo atom bridges two adjacent armchair-like graphitic edges, and MoN2C3 in which Mo is doped at the edge of the graphene sheet. Using Density Functional Theory (DFT) calculations we discuss the electrocatalytic activity of Mosingle bondNsingle bondC structures for nitrogen reduction reaction (NRR) with a focus on unraveling the corresponding mechanisms concerning different Mo site positions and C topologies. Our results indicate that the position of the active site centers has a great effect on its electrocatalytic behavior. The gas phase N2 efficiently reduces to ammonia on MoN4C8 via the distal mechanism with an onset potential of −0.51 V. We confirm that the proposed pyridinic structure, MoN4C8, can catalyze NRR effectively with a low overpotential of 0.35 V. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000901469900003 |
Publication Date |
2022-11-30 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0169-4332 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.7 |
Times cited |
|
Open Access |
OpenAccess |
Notes |
|
Approved |
Most recent IF: 6.7; 2023 IF: 3.387 |
Call Number |
UA @ admin @ c:irua:192430 |
Serial |
7275 |
Permanent link to this record |
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|
|
Author |
van der Linden, V.; Bultinck, E.; de Ruytter, J.; Schalm, O.; Janssens, K.; Devos, W.; Tiri, W. |
Title |
Compositional analysis of 17-18th century archaeological glass fragments, excavated in Mechelen, Belgium: comparison with data from neighboring cities in the Low Countries |
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 |
239 |
Issue |
1/2 |
Pages |
100-106 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000233514700013 |
Publication Date |
2005-08-19 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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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 |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.109; 2005 IF: 1.181 |
Call Number |
UA @ lucian @ c:irua:56068 |
Serial |
444 |
Permanent link to this record |
|
|
|
Author |
Chen, Z.Y.; Bogaerts, A.; Depla, D.; Ignatova, V. |
Title |
Dynamic Monte Carlo simulation for reactive sputtering of aluminium |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Nuclear instruments and methods in physics research: B |
Abbreviated Journal |
Nucl Instrum Meth B |
Volume |
207 |
Issue |
|
Pages |
415-423 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
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Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000184051300006 |
Publication Date |
2003-03-25 |
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 |
20 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.109; 2003 IF: 1.041 |
Call Number |
UA @ lucian @ c:irua:44016 |
Serial |
762 |
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 |
|
Address |
|
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 |
van Ham, R.; Adriaens, A.; van Vaeck, L.; Gijbels, R.; Adams, F. |
Title |
Molecular information in static SIMS for the speciation of inorganic compounds |
Type |
A1 Journal article |
Year |
2000 |
Publication |
Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms |
Abbreviated Journal |
Nucl Instrum Meth B |
Volume |
161/163 |
Issue |
|
Pages |
245-249 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000086204100043 |
Publication Date |
2003-04-05 |
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; 2000 IF: 0.955 |
Call Number |
UA @ lucian @ c:irua:27853 |
Serial |
2178 |
Permanent link to this record |
|
|
|
Author |
Neyts, E.; Yan, M.; Bogaerts, A.; Gijbels, R. |
Title |
PIC-MC simulation of an RF capacitively coupled Ar/H2 discharge |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Nuclear instruments and methods in physics research: B |
Abbreviated Journal |
Nucl Instrum Meth B |
Volume |
202 |
Issue |
|
Pages |
300-304 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000182122500048 |
Publication Date |
2003-03-26 |
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 |
8 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.109; 2003 IF: 1.041 |
Call Number |
UA @ lucian @ c:irua:44015 |
Serial |
2620 |
Permanent link to this record |
|
|
|
Author |
Pourtois, G.; Lauwers, A.; Kittl, J.; Pantisano, L.; Sorée, B.; De Gendt, S.; Magnus, W.; Heyns, A.; Maex, K. |
Title |
First-principle calculations on gate/dielectric interfaces : on the origin of work function shifts |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Microelectronic engineering |
Abbreviated Journal |
Microelectron Eng |
Volume |
80 |
Issue |
|
Pages |
272-279 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The impact of interfacial chemistry occurring at dielectric/gate interface of P-MOS and N-MOS devices is reviewed through a quick literature survey. A specific emphasis is put on the way the bond polarization that occurs between a dielectric and a metal substrate impacts on the gate work function. First-principle simulations are then used to study the work function changes induced by dopant aggregation in nickel monosilicide metal gates. It is shown that the changes are a natural consequence of the variation of the interface polarization. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000231517000062 |
Publication Date |
2005-06-05 |
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 |
1.806 |
Times cited |
31 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.806; 2005 IF: 1.347 |
Call Number |
UA @ lucian @ c:irua:95095 |
Serial |
1199 |
Permanent link to this record |
|
|
|
Author |
Clima, S.; Govoreanu, B.; Jurczak, M.; Pourtois, G. |
Title |
HfOx as RRAM material : first principles insights on the working principles |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Microelectronic engineering |
Abbreviated Journal |
Microelectron Eng |
Volume |
120 |
Issue |
|
Pages |
13-18 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
First-principles simulations were employed to gain atomistic insights on the working principles of amorphous HfO2 based Resistive Random Access Memory stack: the nature of the defect responsible for the switching between the High and Low Resistive States has been unambiguously identified to be the substoichiometric Hf sites (commonly called oxygen vacancy-V-O) and the kinetics of the process have been investigated through the study of O diffusion. Also the role of each material layer in the TiN/HfO2/Hf/TiN RRAM stack and the impact of the deposition techniques have been examined: metallic Hf sputtering is needed to provide an oxygen exchange layer that plays the role of defect buffer. TiN shall be a good defect barrier for O but a bad defect buffer layer. A possible scenario to explain the device degradation (switching failure) mechanism has been proposed – the relaxation of the metastable amorphous phase towards crystalline structure leads to denser, more structured cluster that can increase the defect migration barriers. (C) 2013 Elsevier B.V. All rights reserved. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000336697300004 |
Publication Date |
2013-08-19 |
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 |
1.806 |
Times cited |
22 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.806; 2014 IF: 1.197 |
Call Number |
UA @ lucian @ c:irua:117767 |
Serial |
3535 |
Permanent link to this record |
|
|
|
Author |
Clima, S.; Garbin, D.; Devulder, W.; Keukelier, J.; Opsomer, K.; Goux, L.; Kar, G.S.; Pourtois, G. |
Title |
Material relaxation in chalcogenide OTS SELECTOR materials |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Microelectronic engineering |
Abbreviated Journal |
Microelectron Eng |
Volume |
215 |
Issue |
215 |
Pages |
110996 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Nature of the mobility-gap states in amorphous Ge-rich Ge50Se50 was found to be related to homopolar Ge bonds in the chains/clusters of Ge atoms. Threshold switching material suffers Ge-Ge bond concentration drift during material ageing, which can explain the observed reliability of the aGe(50)Se(50) selector devices. Strong Ge-N bonds were introduced to alleviate the observed instability. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000480665600008 |
Publication Date |
2019-05-21 |
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 |
1.806 |
Times cited |
1 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.806 |
Call Number |
UA @ admin @ c:irua:161905 |
Serial |
6308 |
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. |
Address |
|
Corporate Author |
|
Thesis |
|
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 |
Kovács, A.; Yusupov, M.; Cornet, I.; Billen, P.; Neyts, E.C. |
Title |
Effect of natural deep eutectic solvents of non-eutectic compositions on enzyme stability |
Type |
A1 Journal article |
Year |
2022 |
Publication |
Journal Of Molecular Liquids |
Abbreviated Journal |
J Mol Liq |
Volume |
366 |
Issue |
|
Pages |
120180-17 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Biochemical Wastewater Valorization & Engineering (BioWaVE); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) |
Abstract |
Natural deep eutectic solvents (NADES) represent a green alternative to common organic solvents in the biochemical industry due to their benign behavior and tailorable properties, in particular as media for enzymatic reactions. However, to fully exploit their potential in enzymatic reactions, there is a need for a more fundamental understanding of how these neoteric solvents influence the course of these reac-tions. Thus, the aim of this study is to investigate the influence of NADES with various molar composi-tions on the stability and structure of enzymes, applying molecular dynamics simulations. This can help to better understand the effect of individual compounds of NADES, in addition to eutectic mixtures. More specifically, we simulate the behavior of Candida antarctica lipase B (CALB) enzyme in NADES com-posed of choline chloride with either urea, ethylene glycol or glycerol. Hereto, we monitor the NADES microstructure, the general stability of the enzyme and changes in the structure of its active sites and sur-face residues. Our simulations show that none of the studied NADES systems significantly disrupt the microstructure of the solvent or the stability of the CALB enzyme within the time scales of the simula-tions. The enzyme preserves its initial structure, size and intra-chain hydrogen bonds in all investigated compositions and, for the first time reported, also in NADES with increased hydrogen bond donating com-pound ratios. As the main novelty, our results indicate that, in addition to the composition, the molar ratio can be an additional variable to fine-tune the physicochemical properties of NADES without altering the enzyme characteristics. These findings could facilitate the development and application of task -tailored NADES media for biocatalytic processes. (c) 2022 Elsevier B.V. All rights reserved. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000865431800010 |
Publication Date |
2022-08-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0167-7322 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
6 |
Times cited |
|
Open Access |
Not_Open_Access |
Notes |
|
Approved |
Most recent IF: 6 |
Call Number |
UA @ admin @ c:irua:191538 |
Serial |
7265 |
Permanent link to this record |
|
|
|
Author |
Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R. |
Title |
On the quasi-random entropy of linear species |
Type |
A1 Journal article |
Year |
1993 |
Publication |
Theochem: applications of theoretical chemistry to organic, inorganic and biological problems |
Abbreviated Journal |
|
Volume |
99 |
Issue |
|
Pages |
83-87 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
A1993KU09200010 |
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0166-1280 |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:6147 |
Serial |
2448 |
Permanent link to this record |
|
|
|
Author |
Tavernier, S.M.F.; Nies, E.; Gijbels, R. |
Title |
Hard-spere model for hydrodynamic chromatography systems |
Type |
A1 Journal article |
Year |
1981 |
Publication |
Analytical proceedings |
Abbreviated Journal |
|
Volume |
18 |
Issue |
|
Pages |
31-34 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
|
Publication Date |
2004-03-18 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0144-557X; |
ISBN |
|
Additional Links |
UA library record |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:110347 |
Serial |
1409 |
Permanent link to this record |
|
|
|
Author |
Vandelannoote, R.; Blommaert, W.; Van 't dack, L.; Gijbels, R.; van Grieken, R. |
Title |
Statistical grouping and controlling factors of dissolved trace elements in a surface water system |
Type |
A3 Journal article |
Year |
1983 |
Publication |
Environmental technology letters |
Abbreviated Journal |
|
Volume |
4 |
Issue |
8/9 |
Pages |
363-376 |
Keywords |
A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Sensitive multi‐element analytical techniques were applied to determine 24 dissolved trace components in 25 different water samples from a 10 km2 zone in Brittany, France. Correspondence factor and multiple regression analyses showed that the elements considered are influenced mainly by the presence of: Fe‐Mn oxide accumulations, a local poly‐metallic sulfide mineralization, and non‐mineralized host rocks, agricultural activity and abundant organic material in local swamps. Via these numerical techniques the location of the poly‐metallic ore body can be derived from the data set. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
|
Publication Date |
2008-12-17 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0143-2060; |
ISBN |
|
Additional Links |
UA library record |
Impact Factor |
|
Times cited |
1 |
Open Access |
|
Notes |
|
Approved |
PHYSICS, APPLIED 28/145 Q1 # |
Call Number |
UA @ lucian @ c:irua:111443 |
Serial |
3157 |
Permanent link to this record |
|
|
|
Author |
Adriaens, A.; Goossens, D.; Pijpers, A.; Van Tendeloo, G.; Gijbels, R. |
Title |
Dissolution study of potassium feldspars using hydrothermally treated sanidine as an example |
Type |
A1 Journal article |
Year |
1999 |
Publication |
Surface and interface analysis |
Abbreviated Journal |
Surf Interface Anal |
Volume |
27 |
Issue |
|
Pages |
8-23 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000078240800002 |
Publication Date |
2002-09-11 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0142-2421;1096-9918; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.132 |
Times cited |
4 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.132; 1999 IF: 1.705 |
Call Number |
UA @ lucian @ c:irua:22726 |
Serial |
741 |
Permanent link to this record |
|
|
|
Author |
Bogaerts, A.; Chen, Z.; Gijbels, R. |
Title |
Glow discharge modelling: from basic understanding towards applications |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Surface and interface analysis |
Abbreviated Journal |
Surf Interface Anal |
Volume |
35 |
Issue |
|
Pages |
593-603 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000184687500007 |
Publication Date |
2003-08-01 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0142-2421;1096-9918; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.132 |
Times cited |
14 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.132; 2003 IF: 1.014 |
Call Number |
UA @ lucian @ c:irua:44020 |
Serial |
1350 |
Permanent link to this record |
|
|
|
Author |
de Witte, H.; Conard, T.; Vandervorst, W.; Gijbels, R. |
Title |
SIMS analysis of oxynitrides: evidence for nitrogen diffusion induced by oxygen flooding |
Type |
A1 Journal article |
Year |
2000 |
Publication |
Surface and interface analysis |
Abbreviated Journal |
Surf Interface Anal |
Volume |
29 |
Issue |
|
Pages |
761-765 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000165476500006 |
Publication Date |
2002-08-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0142-2421;1096-9918; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.132 |
Times cited |
4 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.132; 2000 IF: 1.215 |
Call Number |
UA @ lucian @ c:irua:34072 |
Serial |
3007 |
Permanent link to this record |
|
|
|
Author |
Attri, P.; Razzokov, J.; Yusupov, M.; Koga, K.; Shiratani, M.; Bogaerts, A. |
Title |
Influence of osmolytes and ionic liquids on the Bacteriorhodopsin structure in the absence and presence of oxidative stress: A combined experimental and computational study |
Type |
A1 Journal article |
Year |
2020 |
Publication |
International Journal Of Biological Macromolecules |
Abbreviated Journal |
Int J Biol Macromol |
Volume |
148 |
Issue |
|
Pages |
657-665 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Understanding the folding and stability of membrane proteins is of great importance in protein science. Recently, osmolytes and ionic liquids (ILs) are increasingly being used as drug delivery systems in the biopharmaceutical industry. However, the stability of membrane proteins in the presence of osmolytes and ILs is not yet fully understood. Besides, the effect of oxidative stress on membrane proteins with osmolytes or ILs has not been investigated. Therefore, we studied the influence of osmolytes and ILs as co-solvents on the stability of a model membrane protein (i.e., Bacteriorhodopsin in purple membrane of Halobacterium salinarum), using UV–Vis spectroscopy and molecular dynamics (MD) simulations. The MD simulations allowed us to determine the flexibility and solvent accessible surface area (SASA) of Bacteriorhodopsin protein in the presence and/or absence of cosolvents, as well as to carry out principal component analysis (PCA) to identify the most important movements in this protein. In addition, by means of UV–Vis spectroscopy we studied the effect of oxidative stress generated by cold atmospheric plasma on the stability of Bacteriorhodopsin in the presence and/or absence of co-solvents. This study is important for a better understanding of the stability of proteins in the presence of oxidative stress. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000522094600066 |
Publication Date |
2020-01-20 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0141-8130 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.2 |
Times cited |
|
Open Access |
|
Notes |
Horizon2020, 743546 ; JSPS, 19H05462 16H03895 ; Nagoya University; We gratefully acknowledge the European Marie Skłodowska-Curie Individual Fellowship “Anticancer-PAM” within Horizon2020 (grant number 743546). This work was also supported by JSPS-KAKENHI 19H05462 and 16H03895, the joint usage/research program of Center for Low-temperature Plasma Science, Nagoya University and also supported by JSPS and RCL under the Japan-Lithuania Research Cooperative Program. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. |
Approved |
Most recent IF: 8.2; 2020 IF: 3.671 |
Call Number |
PLASMANT @ plasmant @c:irua:165585 |
Serial |
5444 |
Permanent link to this record |
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Author |
Marimuthu, P.; Razzokov, J.; Eshonqulov, G. |
Title |
Disruption of conserved polar interactions causes a sequential release of Bim mutants from the canonical binding groove of Mcl1 |
Type |
A1 Journal article |
Year |
2020 |
Publication |
International Journal Of Biological Macromolecules |
Abbreviated Journal |
Int J Biol Macromol |
Volume |
158 |
Issue |
|
Pages |
364-374 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Mcl1 is an important anti-apoptotic member of the Bcl2 family proteins that are upregulated in several cancer malignancies. The canonical binding groove (CBG) located at the surface of Mcl1 exhibits a critical role in binding partners selectively via the BH3-domain of pro-apoptotic Bcl2 family members that trigger the downregulation of Mcl1 function. There are several crystal structures of point-mutated pro-apoptotic Bim peptides in complex with Mcl1. However, the mechanistic effects of such point-mutations towards peptide binding and complex stability still remain unexplored. Here, the effects of the reported point mutations in Bim peptides and their binding mechanisms to Mcl1 were computationally evaluated using atomistic-level steered molecular dynamics (SMD) simulations. A range of external-forces and constant-velocities were applied to the Bim peptides to uncover the mechanistic basis of peptide dissociation from the CBG of Mcl1. Although the peptides showed similarities in their dissociation pathways, the peak rupture forces varied significantly. According to simulations results, the disruption of the conserved polar contacts at the complex interface causes a sequential release of the peptides from the CBG of Mcl1. Overall, the results obtained from the current study may provide valuable insights for the development of novel anti-cancer peptide-inhibitors that can downregulate Mcl1’s function. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
|
Wos |
000564486400010 |
Publication Date |
2020-05-03 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0141-8130 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.2 |
Times cited |
|
Open Access |
|
Notes |
P.M. gratefully acknowledges the Sigrid Jusélius Foundation, Joe, Pentti and Tor Borg Memorial Fund for computational and laboratory infrastructure, the Bioinformatics infrastructure facility supported by Biocenter Finland, CSC-IT Center for Science (Project: 2000461) for the high performance computational facility; Prof. Outi Salo-Ahen, SBL, Pharmacy, Åbo Akademi University and Prof. Olli Pentikäinen, MedChem, University of Turku for valuable discussion; Dr. Jukka Lehtonen for the IT support; and specially thanks Prof. Mark Johnson, SBL, Åbo Akademi University, for providing the lab facility. |
Approved |
Most recent IF: 8.2; 2020 IF: 3.671 |
Call Number |
PLASMANT @ plasmant @c:irua:169231 |
Serial |
6365 |
Permanent link to this record |
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Author |
Attri, P.; Park, J.-H.; De Backer, J.; Kim, M.; Yun, J.-H.; Heo, Y.; Dewilde, S.; Shiratani, M.; Choi, E.H.; Lee, W.; Bogaerts, A. |
Title |
Structural modification of NADPH oxidase activator (Noxa 1) by oxidative stress: An experimental and computational study |
Type |
A1 Journal article |
Year |
2020 |
Publication |
International Journal Of Biological Macromolecules |
Abbreviated Journal |
Int J Biol Macromol |
Volume |
163 |
Issue |
|
Pages |
2405-2414 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
NADPH oxidases 1 (NOX1) derived reactive oxygen species (ROS) play an important role in the progression of cancer through signaling pathways. Therefore, in this paper, we demonstrate the effect of cold atmospheric plasma (CAP) on the structural changes of Noxa1 SH3 protein, one of the regulatory subunits of NOX1. For this purpose, firstly we purified the Noxa1 SH3 protein and analyzed the structure using X-ray crystallography, and subsequently, we treated the protein with two types of CAP reactors such as pulsed dielectric barrier discharge (DBD) and Soft Jet for different time intervals. The structural deformation of Noxa1 SH3 protein was analyzed by various experimental methods (circular dichroism, fluorescence, and NMR spectroscopy) and by MD simulations. Additionally, we demonstrate the effect of CAP (DBD and Soft Jet) on the viability and expression of NOX1 in A375 cancer cells. Our results are useful to understand the structural modification/oxidation occur in protein due to reactive oxygen and nitrogen (RONS) species generated by CAP. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000579839600233 |
Publication Date |
2020-09-19 |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0141-8130 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.2 |
Times cited |
|
Open Access |
|
Notes |
European Marie Skłodowska-Curie Individual Fellowship, 743546 ; JSPS, 20K14454 ; National Research Foundation of Korea, 2019M3A9F6021810 NRF-2017M3A9F6029753 NRF-2019M3E5D6063903 NRF-2016R1A6A3A04010213 ; Brain Korea 21; MSIT, NRF-2016K1A4A3914113 ; Hercules Foundation; Flemish Government; UA; We gratefully acknowledge the European Marie SkłodowskaCurie Individual Fellowship “Anticancer-PAM” within Horizon 2020 (grant number 743546). This work was also supported by JSPS-KAKENHI grant number 20K14454. Additionally, work was supported by several grants (2019M3A9F6021810, NRF2017M3A9F6029753, NRF-2019M3E5D6063903 to W. Lee), Basic Science Research Program (NRF-2016R1A6A3A04010213 to J.H. Yun) through the National Research Foundation of Korea and in part by the Brain Korea 21 (BK21) PLUS program (J.H.P.). EHC is thankful to National Research Foundation (NRF) of Korea, funded by the Korea government (MSIT) under the grant number (NRF2016K1A4A3914113). The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. |
Approved |
Most recent IF: 8.2; 2020 IF: 3.671 |
Call Number |
PLASMANT @ plasmant @c:irua:172451 |
Serial |
6419 |
Permanent link to this record |