| |
Records |
Links |
|
Author  |
Nelissen, K.; Partoens, B.; Peeters, F.M. |
|
| |
Title |
Influence of a defect particle on the structure of a classical two-dimensional cluster |
Type |
A1 Journal article |
| |
Year |
2004 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
|
| |
Volume |
69 |
Issue |
|
Pages |
046605,1-6 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
| |
Language |
|
Wos |
000221253000064 |
Publication Date |
2004-04-16 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.366 |
Times cited |
27 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.366; 2004 IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:62443 |
Serial |
1611 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Nelissen, K.; Partoens, B.; Peeters, F.M. |
|
| |
Title |
Influence of an ellipsoid on the angular order in a two-dimensional cluster |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
|
| |
Volume |
84 |
Issue |
3 |
Pages |
031405,1-031405,6 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The influence of an ellipsoid on the angular order of two-dimensional classical clusters is investigated through Brownian dynamics simulations. We found the following: (1) The presence of an ellipsoid does not influence the start of the angular melting, but reduces the rate at which the inner rings can rotate with respect to each other. (2) Even a small eccentricity of the ellipsoid leads to a stabilization of the angular order of the system. (3) Depending on the position of the ellipsoid in the cluster, a reentrant behavior in the angular order is observed before full radial melting of the cluster sets in. (4) The ellipsoid can lead to a two-step angular melting process: First, the rotation of the inner rings with respect to each other is hindered by the ellipsoid, but on further increasing the kinetic energy of the system, the ellipsoid just starts to behave as a spherical particle with different mobility. The effect of an ellipsoid on the molten system does not depend crucially on the interparticle interaction, but a softer parabolic confinement reduces the angular stabilization. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
| |
Language |
|
Wos |
000296495000007 |
Publication Date |
2011-09-20 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
2.366 |
Times cited |
|
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and CNPq. ; |
Approved |
Most recent IF: 2.366; 2011 IF: 2.255 |
|
| |
Call Number |
UA @ lucian @ c:irua:93612 |
Serial |
1615 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Nelissen, K.; Partoens, B.; Schweigert, I.; Peeters, F.M. |
|
| |
Title |
Induced order and re-entrant melting in classical two-dimensional binary clusters |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Europhysics letters |
Abbreviated Journal |
Epl-Europhys Lett |
|
| |
Volume |
74 |
Issue |
6 |
Pages |
1046-1052 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Paris |
Editor |
|
|
| |
Language |
|
Wos |
000238029600017 |
Publication Date |
2006-05-24 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0295-5075;1286-4854; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.957 |
Times cited |
17 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.957; 2006 IF: 2.229 |
|
| |
Call Number |
UA @ lucian @ c:irua:59453 |
Serial |
1602 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Nelissen, K.; Partoens, B.; van den Broeck, C. |
|
| |
Title |
Work and dissipation in 2D clusters |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Europhysics letters |
Abbreviated Journal |
Epl-Europhys Lett |
|
| |
Volume |
88 |
Issue |
3 |
Pages |
30001-30001,6 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We show by extensive numerical simulations, that far-from-equilibrium experiments on dusty plasmas and on dipole particles in a circular cavity are good candidates for the verification of the Jarzynski equality, the Crooks relation and, to a lesser extent, of the recently obtained microscopic expression for the dissipated work. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Paris |
Editor |
|
|
| |
Language |
|
Wos |
000271961400001 |
Publication Date |
2009-11-05 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0295-5075;1286-4854; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.957 |
Times cited |
2 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.957; 2009 IF: 2.893 |
|
| |
Call Number |
UA @ lucian @ c:irua:86925 |
Serial |
3922 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Nelson, J.W.; Williams, I.; Johansson, T.B.; Van Grieken, R.E. |
|
| |
Title |
Elemental analysis of aerosols using proton-scattering |
Type |
A1 Journal article |
| |
Year |
1974 |
Publication |
IEEE transactions on nuclear science |
Abbreviated Journal |
|
|
| |
Volume |
Ns21 |
Issue |
1 |
Pages |
618-621 |
|
| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
| |
Abstract |
Elemental analysis for all of the light elements up through chlorine by elastic scattering of 16 MeV protons has been shown to be feasible. Basic problems associated with such measurements are discussed including kinematics, angular distribution, and sample backings. Spectra are presented for air particulate matter for both a total filter (Nuclepore) and a size fractionated air impactor (polystyrene backed) sample. The method is absolute, non destructive and can be used in conjunction with proton induced x-ray fluorescence to quantitatively analyze all elements in the same sample in minutes of time. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
A1974S533700086 |
Publication Date |
2008-07-22 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0018-9499 |
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:113642 |
Serial |
7881 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Nematollahi, P. |
|
| |
Title |
Density functional theory calculations for understanding gas conversion reactions on single metal atom embedded carbon-based nanocatalysts |
Type |
Doctoral thesis |
| |
Year |
2020 |
Publication |
|
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
173 p. |
|
| |
Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
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 @ admin @ c:irua:169310 |
Serial |
6481 |
|
| Permanent link to this record |
| |
|
| |
|
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 |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000901469900003 |
Publication Date |
2022-11-30 |
|
| |
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 |
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 |
| |
|
| |
|
Author |
Nematollahi, P.; Barbiellini, B.; Bansil, A.; Lamoen, D.; Qingying, J.; Mukerjee, S.; Neyts, E.C. |
|
| |
Title |
Identification of a Robust and Durable FeN4CxCatalyst for ORR in PEM Fuel Cells and the Role of the Fifth Ligand |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
ACS catalysis |
Abbreviated Journal |
Acs Catal |
|
| |
Volume |
|
Issue |
|
Pages |
7541-7549 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
Although recent studies have advanced the understanding of pyrolyzed
Fe−N−C materials as oxygen reduction reaction (ORR) catalysts, the atomic and
electronic structures of the active sites and their detailed reaction mechanisms still remain unknown. Here, based on first-principles density functional theory (DFT) computations, we discuss the electronic structures of three FeN4 catalytic centers with different local topologies of the surrounding C atoms with a focus on unraveling the mechanism of their ORR activity in acidic electrolytes. Our study brings back a forgotten, synthesized pyridinic Fe−N coordinate to the community’s attention, demonstrating that this catalyst can exhibit excellent activity for promoting direct four-electron ORR through the addition of a fifth ligand such as −NH2, −OH, and −SO4. We also identify sites with good stability properties through the combined use of our DFT calculations and Mössbauer spectroscopy data. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000823193100001 |
Publication Date |
2022-06-10 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2155-5435 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
12.9 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
Basic Energy Sciences, DE-FG02-07ER46352 ; Fonds Wetenschappelijk Onderzoek, 1261721N ; Opetus- ja Kulttuuriministeri?; Department of Energy, DE-EE0008416 ; |
Approved |
Most recent IF: 12.9 |
|
| |
Call Number |
EMAT @ emat @c:irua:189000 |
Serial |
7073 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Nematollahi, P.; Esrafili, M.D.; Neyts, E.C. |
|
| |
Title |
The role of healed N-vacancy defective BC2N sheet and nanotube by NO molecule in oxidation of NO and CO gas molecules |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Surface science : a journal devoted to the physics and chemistry of interfaces |
Abbreviated Journal |
Surf Sci |
|
| |
Volume |
672-673 |
Issue |
672-673 |
Pages |
39-46 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
In this study, the healing of N-vacancy boron carbonitride nanosheet (NV-BC2NNS) and nanotube (NV-BC2NNT) by NO molecule is studied by means of density functional theory calculations. Two different N-vacancies are considered in each of these structures in which the vacancy site is surrounded by either three B-atoms (NB) or by two B- and one C-atom (NBC). By means of the healed BC2NNS and BC2NNT as a support, the removal of two toxic gas molecules (NO and CO) are applicable. It should be noted that the obtained energy barriers of both healing and oxidizing processes are significantly lower than those of graphene, carbon nanotubes or boron nitride nanostructures. Also, at the end of the oxidation process, the pure BC2NNS or BC2NNT is obtained without any additional defects. Therefore, by using this method, we can considerably purify the defective BC2NNS/BC2NNT. Moreover, according to the thermochemistry calculations we can further confirm that the healing process of the NV-BC2NNS and NV-BC2NNT by NO are feasible at room temperature. So, we can claim that this study could be very helpful in both purifying the defective BC2NNS/BC2NNT while in the same effort removing toxic NO and CO gases. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
| |
Language |
|
Wos |
000432614700007 |
Publication Date |
2018-03-08 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0039-6028 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.062 |
Times cited |
1 |
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 2.062 |
|
| |
Call Number |
UA @ lucian @ c:irua:151478 |
Serial |
5044 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Nematollahi, P.; Ma, H.; Schneider, W.F.; Neyts, E.C. |
|
| |
Title |
DFT and microkinetic comparison of ru-doped porphyrin-like graphene and nanotubes toward catalytic formic acid decomposition and formation |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Journal Of Physical Chemistry C |
Abbreviated Journal |
J Phys Chem C |
|
| |
Volume |
125 |
Issue |
34 |
Pages |
18673-18683 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
Immobilization of single metal atoms on a solid host opens numerous possibilities for catalyst designs. If that host is a two-dimensional sheet, sheet curvature becomes a design parameter potentially complementary to host and metal composition. Here, we use a combination of density functional theory calculations and microkinetic modeling to compare the mechanisms and kinetics of formic acid decomposition and formation, chosen for their relevance as a potential hydrogen storage medium, over single Ru atoms anchored to pyridinic nitrogen in a planar graphene flake (RuN4-G) and curved carbon nanotube (RuN4-CNT). Activation barriers are lowered and the predicted turnover frequencies are increased over RuN4-CNT relative to RuN4-CNT. The results highlight the potential of curvature control as a means to achieve high performance and robust catalysts. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000693413400013 |
Publication Date |
2021-08-22 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1932-7447; 1932-7455 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.536 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 4.536 |
|
| |
Call Number |
UA @ admin @ c:irua:181538 |
Serial |
7805 |
|
| Permanent link to this record |
| |
|
| |
|
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 |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
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 |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
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 |
| |
|
| |
|
Author |
Nematollahi, P.; Neyts, E.C. |
|
| |
Title |
Direct oxidation of methane to methanol on Co embedded N-doped graphene: Comparing the role of N₂O and O₂ as oxidants |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Applied Catalysis A-General |
Abbreviated Journal |
Appl Catal A-Gen |
|
| |
Volume |
602 |
Issue |
|
Pages |
117716-10 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
In this work, the effects of N-doping into the Co-doped single vacancy (Co-SV-G) and di-vacancy graphene flake (Co-dV-G) are investigated and compared toward direct oxidation of methane to methanol (DOMM) employing two different oxidants (N2O and O-2) using density functional theory (DFT) calculation. We found that DOMM on CoN3-G utilizing the N2O molecule as oxygen-donor proceeds via a two-step reaction with low activation energies. In addition, we found that although CoN3-G might be a good catalyst for methane conversion, it can also catalyze the oxidation of methanol to CO2 and H2O due to the required low activation barriers. Moreover, the adsorption behaviors of CHx (x = 0-4) species and dehydrogenation of CHx (x = 1-4) species on CoN3-G are investigated. We concluded that CoN3-G can be used as an efficient catalyst for DOMM and N-2O reduction at ambient conditions which may serve as a guide for fabricating effective C/N catalysts in energy-related devices. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000554006800046 |
Publication Date |
2020-06-27 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0926-860x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
5.5 |
Times cited |
|
Open Access |
|
|
| |
Notes |
; This work was performed with the financial support from the Doctoral Fund of the Antwerp University (NO. BOFLP33099). All the simulations are performed on resources provided by the high-performance computing center of Antwerp University. ; |
Approved |
Most recent IF: 5.5; 2020 IF: 4.339 |
|
| |
Call Number |
UA @ admin @ c:irua:171219 |
Serial |
6485 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Nematollahi, P.; Neyts, E.C. |
|
| |
Title |
Distribution pattern of metal atoms in bimetal-doped pyridinic-N₄ pores determines their potential for electrocatalytic N₂ reduction |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Journal Of Physical Chemistry A |
Abbreviated Journal |
J Phys Chem A |
|
| |
Volume |
126 |
Issue |
20 |
Pages |
3080-3089 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
Doping two single transition-metal (TM) atoms on a substrate host opens numerous possibilities for catalyst design. However, what if the substrate contains more than one vacancy site? Then, the combination of two TMs along with their distribution patterns becomes a design parameter potentially complementary to the substrate itself and the bimetal composition. In this study, we investigate ammonia synthesis under mild electrocatalytic conditions on a transition-metal-doped porous C24N24 catalyst using density functional theory (DFT). The TMs studied include Ti, Mn, and Cu in a 2:4 dopant ratio (Ti2Mn4@C24N24 and Ti2Cu4@N-24(24)). Our computations show that a single Ti atom in both catalysts exhibits the highest selectivity for N-2 fixation at ambient conditions. This work is a good theoretical model to establish the structure-activity relationship, and the knowledge earned from the metal-N-4 moieties may help studies of related nanomaterials, especially those with curved structures. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000804119800003 |
Publication Date |
2022-05-12 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1089-5639; 1520-5215 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
2.9 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 2.9 |
|
| |
Call Number |
UA @ admin @ c:irua:189023 |
Serial |
7146 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Nematollahi, P.; Neyts, E.C. |
|
| |
Title |
Identification of a unique pyridinic FeN4Cx electrocatalyst for N₂ reduction : tailoring the coordination and carbon topologies |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Journal Of Physical Chemistry C |
Abbreviated Journal |
J Phys Chem C |
|
| |
Volume |
126 |
Issue |
34 |
Pages |
14460-14469 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
Although the heterogeneity of pyrolyzed Fe???N???C materials is known and has been reported previously, the atomic structure of the active sites and their detailed reaction mechanisms are still unknown. Here, we identified two pyridinic Fe???N4-like centers with different local C coordinates, i.e., FeN4C8 and FeN4C10, and studied their electrocatalytic activity for the nitrogen reduction reaction (NRR) based on density functional theory (DFT) calculations. We also discovered the influence of the adsorption of NH2 as a functional ligand on catalyst performance on the NRR. We confirmed that the NRR selectivity of the studied catalysts is essentially governed either by the local C coordination or by the dynamic structure associated with the FeII/FeIII. Our investigations indicate that the proposed traditional pyridinic FeN4C10 has higher catalytic activity and selectivity for the NRR than the robust FeN4C8 catalyst, while it may have outstanding activity for promoting other (electro)catalytic reactions. <comment>Superscript/Subscript Available</comment |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000859545200001 |
Publication Date |
2022-08-17 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1932-7447; 1932-7455 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
3.7 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 3.7 |
|
| |
Call Number |
UA @ admin @ c:irua:191469 |
Serial |
7268 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Nematollahi, P.; Neyts, E.C. |
|
| |
Title |
Linking bi-metal distribution patterns in porous carbon nitride fullerene to its catalytic activity toward gas adsorption |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Nanomaterials |
Abbreviated Journal |
Nanomaterials-Basel |
|
| |
Volume |
11 |
Issue |
7 |
Pages |
1794 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
Immobilization of two single transition metal (TM) atoms on a substrate host opens numerous possibilities for catalyst design. If the substrate contains more than one vacancy site, the combination of TMs along with their distribution patterns becomes a design parameter potentially complementary to the substrate itself and the bi-metal composition. By means of DFT calculations, we modeled three dissimilar bi-metal atoms (Ti, Mn, and Cu) doped into the six porphyrin-like cavities of porous C24N24 fullerene, considering different bi-metal distribution patterns for each binary complex, viz. TixCuz@C24N24, TixMny@C24N24, and MnyCuz@C24N24 (with x, y, z = 0-6). We elucidate whether controlling the distribution of bi-metal atoms into the C24N24 cavities can alter their catalytic activity toward CO2, NO2, H-2, and N-2 gas capture. Interestingly, Ti2Mn4@C24N24 and Ti2Cu4@C24N24 complexes showed the highest activity and selectively toward gas capture. Our findings provide useful information for further design of novel few-atom carbon-nitride-based catalysts. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000676140500001 |
Publication Date |
2021-07-09 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2079-4991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.553 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 3.553 |
|
| |
Call Number |
UA @ admin @ c:irua:180372 |
Serial |
8174 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Nerantzaki, M.; Filippousi, M.; Van Tendeloo, G.; Terzopoulou, Z.; Bikiaris, D.; Goudouri, O.M.; Detsch, R.; Grueenewald, A.; Boccaccini, A.R. |
|
| |
Title |
Novel poly(butylene succinate) nanocomposites containing strontium hydroxyapatite nanorods with enhanced osteoconductivity for tissue engineering applications |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Express polymer letters |
Abbreviated Journal |
Express Polym Lett |
|
| |
Volume |
9 |
Issue |
9 |
Pages |
773-789 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Three series of poly(butylene succinate) (PBSu) nanocomposites containing 0.5, 1 and 2.5 wt% strontium hydroxyapatite [Sr-5(PO4)(3)OH] nanorods (SrHAp nrds) were prepared by in situ polymerisation. The structural effects of Sr-5(PO4)(3)OH nanorods, for the different concentrations, inside the polymeric matrix (PBSu), were studied through high angle annular dark field scanning transmission electron microscopy (HAADF-STEM). HAADF-STEM measurements revealed that the SrHAp nanorods at low concentrations are dispersed inside the polymeric PBSu matrix while in 1 wt% some aggregates are formed. These aggregations affect the mechanical properties giving an enhancement for the concentration of 0.5 wt% SrHAp nrds in tensile strength, while a reduction is recorded for higher loadings of the nanofiller. Studies on enzymatic hydrolysis revealed that all nanocomposites present higher hydrolysis rates than neat PBSu, indicating that nanorods accelerate the hydrolysis degradation process. In vitro bioactivity tests prove that SrHAp nrds promote the formation of hydroxyapatite on the PBSu surface. All nanocomposites were tested also in relevant cell culture using osteoblast-like cells (MG-63) to demonstrate their biocompatibility showing SrHAp nanorods support cell attachment. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
Budapest University of Technology and Economics Department of Polymer Engineering |
Place of Publication |
Budapest, Hungary |
Editor |
|
|
| |
Language |
|
Wos |
000357287800004 |
Publication Date |
2015-06-25 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1788-618X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.983 |
Times cited |
21 |
Open Access |
|
|
| |
Notes |
262348 Esmi |
Approved |
Most recent IF: 2.983; 2015 IF: 2.761 |
|
| |
Call Number |
c:irua:127009 |
Serial |
2382 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Nerl, H.C.; Pokle, A.; Jones, L.; Müller‐Caspary, K.; Bos, K.H.W.; Downing, C.; McCarthy, E.K.; Gauquelin, N.; Ramasse, Q.M.; Lobato, I.; Daly, D.; Idrobo, J.C.; Van Aert, S.; Van Tendeloo, G.; Sanvito, S.; Coleman, J.N.; Cucinotta, C.S.; Nicolosi, V. |
|
| |
Title |
Self‐Assembly of Atomically Thin Chiral Copper Heterostructures Templated by Black Phosphorus |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Advanced functional materials |
Abbreviated Journal |
Adv Funct Mater |
|
| |
Volume |
29 |
Issue |
37 |
Pages |
1903120 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000478478400001 |
Publication Date |
2019-07-17 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1616-301X |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
12.124 |
Times cited |
1 |
Open Access |
OpenAccess |
|
| |
Notes |
European Research Council, 2DNanoCaps TC2D CoG 3D2DPrint CoG Picometrics grant agreement No. 770887; Engineering and Physical Sciences Research Council, EP/P033555/1 EP/R029431 ; Science Foundation Ireland, HPC1600932 ; |
Approved |
Most recent IF: 12.124 |
|
| |
Call Number |
EMAT @ emat @c:irua:161901 |
Serial |
5362 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Neven, L. |
|
| |
Title |
Singlet oxygen-based photoelectrochemical detection of phenolic contaminants |
Type |
Doctoral thesis |
| |
Year |
2022 |
Publication |
|
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
234 p. |
|
| |
Keywords |
Doctoral thesis; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
|
| |
Abstract |
Phenolic compounds can be found everywhere in our daily lives but exhibit high toxicity, low (bio)degradability and hormone-disrupting effects when they are released in the environment. It is for this reason imperative to develop detection strategies for these pollutants. A promising approach involves the use of a photoelectrochemical (PEC) sensor. In this sensor, a photosensitiser (PS) type II, which generates 1O2 under illumination, is used to oxidise phenolic compounds present in the sample. The oxidised phenols are reduced at the electrode surface leading to the generation of an electrocatalytic redox cycle. In this thesis, an in-depth understanding, through the identification of the reactive oxygen species (ROS) in the PEC sensing mechanism, is obtained. The detection strategy is optimised by choosing the PS with the highest 1O2 production and by optimising the detection parameters so that the PEC sensor can be successfully applied for the detection of phenols in industrial samples. First, it was determined that the use of highly fluorinated zinc phthalocyanine derivatives, F52PcZn and F64PcZn, as photocatalysts was optimal for the sensing of phenol due to their high 1O2 production and improved single-site isolation. However, next to 1O2, it was shown that the ROS O2•- and H2O2 were also generated in the PEC sensor. Their contribution to the photocurrent response was studied by rotating disk electrode measurements in function of the pH and applied potential. After this, the PEC detection strategy was optimised in terms of pH and applied potential for the detection of doxycycline, cefadroxil, and phenol. It was found that the use of alkaline pH-levels led to nmol L-1-level detection limits. The combination with square wave voltammetry (SWV) was, also, proposed to allow the quantification and identification of phenolic compounds in a specific sample. At last, the developed PEC and SWV sensors were applied for the measurement of phenolic compounds in industrial water samples. The PEC sensor could follow the decrease of the phenolic concentration throughout the wastewater treatment process while the SWV sensor provided the electrochemical fingerprints of these samples. The thesis concluded that the use of the PEC sensor was advantageous in the measurement of lower concentrated phenolic samples due to its high sensitivity and fast measurement time in comparison to commercial test kits. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
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 |
no |
|
| |
Call Number |
UA @ admin @ c:irua:187029 |
Serial |
8932 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Neven, L.; Barich, H.; Ching, H.Y.V.; Khan, S.U.; Colomier, C.; Patel, H.H.; Gorun, S.M.; Verbruggen, S.; Van Doorslaer, S.; De Wael, K. |
|
| |
Title |
Correlation between the fluorination degree of perfluorinated zinc phthalocyanines, their singlet oxygen generation ability, and their photoelectrochemical response for phenol sensing |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
|
| |
Volume |
94 |
Issue |
13 |
Pages |
5221-5230 |
|
| |
Keywords |
A1 Journal article; Organic synthesis (ORSY); Sustainable Energy, Air and Water Technology (DuEL); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
|
| |
Abstract |
Electron-withdrawing perfluoroalkyl peripheral groups grafted on phthalocyanine (Pc) macrocycles improve their single-site isolation, solubility, and resistance to self-oxidation, all beneficial features for catalytic applications. A high degree of fluorination also enhances the reducibility of Pcs and could alter their singlet oxygen (1O2) photoproduction. The ethanol/toluene 20:80 vol % solvent mixture was found to dissolve perfluorinated FnPcZn complexes, n = 16, 52, and 64, and minimize the aggregation of the sterically unencumbered F16PcZn. The 1O2 production ability of FnPcZn complexes was examined using 9,10-dimethylanthracene (DMA) and 2,2,6,6-tetramethylpiperidine (TEMP) in combination with UV–vis and electron paramagnetic resonance (EPR) spectroscopy, respectively. While the photoreduction of F52PcZn and F64PcZn in the presence of redox-active TEMP lowered 1O2 production, DMA was a suitable 1O2 trap for ranking the complexes. The solution reactivity was complemented by solid-state studies via the construction of photoelectrochemical sensors based on TiO2-supported FnPcZn, FnPcZn|TiO2. Phenol photo-oxidation by 1O2, followed by its electrochemical reduction, defines a redox cycle, the 1O2 production having been found to depend on the value of n and structural features of the supported complexes. Consistent with solution studies, F52PcZn was found to be the most efficient 1O2 generator. The insights on reactivity testing and structural–activity relationships obtained may be useful for designing efficient and robust sensors and for other 1O2-related applications of FnPcZn. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000786254500002 |
Publication Date |
2022-03-22 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0003-2700; 5206-882x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
7.4 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 7.4 |
|
| |
Call Number |
UA @ admin @ c:irua:187522 |
Serial |
7141 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Neven, L.; Barich, H.; Pelmuş, M.; Gorun, S.M.; De Wael, K. |
|
| |
Title |
The role of singlet oxygen, superoxide, hydroxide, and hydrogen peroxide in the photoelectrochemical response of phenols at a supported highly fluorinated zinc phthalocyanine |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
ChemElectroChem |
Abbreviated Journal |
|
|
| |
Volume |
9 |
Issue |
6 |
Pages |
e202200108-10 |
|
| |
Keywords |
A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
|
| |
Abstract |
Photoelectrochemical (PEC) sensing of phenolic compounds using singlet oxygen (1O2)-generating photocatalysts has emerged as a powerful detection tool. However, it is currently not known how experimental parameters, such as pH and applied potential, influence the generation of reactive oxygen species (ROS) and their photocurrents. In this article, the PEC response was studied over the 6 to 10 pH range using a rotating (ring) disk (R(R)DE) set-up in combination with quenchers, to identify the ROS formed upon illumination of a supported photosensitizer, F64PcZn. The photocurrents magnitude depended on the applied potential and the pH of the buffer solution. The anodic responses were caused by the oxidation of O2.−, generated due to the quenching of 1O2 with −OH and the reaction of 3O2 with [F64Pc(3-)Zn]. The cathodic responses were assigned to the reduction of 1O2 and O2.−, yielding H2O2. These insights may benefit 1O2 – based PEC sensing applications. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000773947300003 |
Publication Date |
2022-02-23 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2196-0216 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:187524 |
Serial |
8926 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Neven, L.; Barich, H.; Rutten, R.; De Wael, K. |
|
| |
Title |
Novel (photo)electrochemical analysis of aqueous industrial samples containing phenols |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Microchemical journal |
Abbreviated Journal |
|
|
| |
Volume |
181 |
Issue |
|
Pages |
107778-11 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
|
| |
Abstract |
Phenols are considered as toxic pollutants and their discharge into the environment by industries is regulated by a concentration limit. As these limits are in the low mg L−1 to µg L−1-range, sensitive methods are necessary to detect these phenols. Here, aqueous industrial phenolic samples throughout a cleaning process were analyzed by two novel electrochemical sensors. Both the photoelectrochemical (PEC) sensor and the square wave voltammetric (SWV) sensor could successfully follow the decrease of the concentration of phenols along the industrial cleaning process. The discharge sample (μg L−1) could only be analyzed by the PEC sensor and not by the SWV sensor, as the phenolic concentration was close to the LOD of the latter. With HPLC-diode array detector (DAD) measurements, classical phenols such as phenol (PHOH), hydroquinone, resorcinol and o-cresol could be identified in the industrial samples, and their presence could be linked to the electrochemical responses. At last, the performance of the PEC and SWV sensors were compared with commercial colorimetric and chemical oxygen demand (COD) test kits. This comparison demonstrated the high sensitivity of the PEC sensor in the μg L−1 concentrated phenolic samples. Together with the identification of the redox peaks through HPLC-DAD analysis, the SWV sensor can be a powerful tool in the qualitative analysis of mg L−1 concentrated phenolic samples due to its speed, simplicity and absence of laborious sample pre-treatment steps. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000837838400003 |
Publication Date |
2022-07-20 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0026-265x; 0026-265x |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:189428 |
Serial |
8906 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Neven, L.; Barich, H.; Sleegers, N.; Cánovas, R.; Debruyne, G.; De Wael, K. |
|
| |
Title |
Development of a combi-electrosensor for the detection of phenol by combining photoelectrochemistry and square wave voltammetry |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Analytica chimica acta |
Abbreviated Journal |
|
|
| |
Volume |
1206 |
Issue |
|
Pages |
339732 |
|
| |
Keywords |
A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
|
| |
Abstract |
The high toxicity, endocrine-disrupting effects and low (bio)degradability commonly attributed to phenolic compounds have promoted their recognition as priority toxic pollutants. For this reason, the monitoring of these compounds in industrial, domestic and agricultural streams is crucial to prevent and decrease their toxicity in our daily life. To confront this relevant environmental issue, we propose the use of a combi-electrosensor which combines singlet oxygen (1O2)-based photoelectrochemistry (PEC) with square wave voltammetry (SWV). The high sensitivity of the PEC sensor (being a faster alternative for traditional COD measurements) ensures the detection of nmol L−1 levels of phenolic compounds while the SWV measurements (being faster than the color test kits) allow the differentiation between phenolic compounds. Herein, we report on the development of such a combi-electrosensor for the sensitive and selective detection of phenol (PHOH) in the presence of related phenolic compounds such as hydroquinone (HQ), bisphenol A (BPA), resorcinol (RC) and catechol (CC). The PEC sensor was able to determine the concentration of PHOH in spiked river samples containing only PHOH with a recovery between 96% and 111%. The SWV measurements elucidated the presence of PHOH, HQ and CC in the spiked samples containing multiple phenol compounds. Finally, the practicality of the combi-electrosensor set-up with a dual SPE containing two working electrodes and shared reference and counter electrodes was demonstrated. As a result, the combination of the two techniques is a powerful and valuable tool in the analysis of phenolic samples, since each technique improves the general performance by overcoming the inherent drawbacks that they display independently. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000793070200016 |
Publication Date |
2022-03-16 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0003-2670; 1873-4324 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:187499 |
Serial |
8848 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Neven, L.; Thiruvottriyur Shanmugam, S.; Rahemi, V.; Trashin, S.; Sleegers, N.; Carrion, E.N.; Gorun, S.M.; De Wael, K. |
|
| |
Title |
Optimized photoelectrochemical detection of essential drugs bearing phenolic groups |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
|
| |
Volume |
91 |
Issue |
15 |
Pages |
9962-9969 |
|
| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
| |
Abstract |
The World Health Organization (WHO) model “List of Essential Medicines” includes among indispensable medicines antibacterials and pain and migraine relievers. Monitoring their concentration in the environment, while challenging, is important in the context of antibiotic resistance as well as their production of highly toxic compounds via hydrolysis. Traditional detection methods such as high-performance liquid chromatography (HPLC) or LC combined with tandem mass spectrometry or UV-vis spectroscopy are time-consuming, have a high cost, require skilled operators and are difficult to adapt for field operations. In contrast, (electrochemical) sensors have elicited interest because of their rapid response, high selectivity, and sensitivity as well as potential for on-site detection. Previously, we reported a novel sensor system based on a type II photosensitizer, which combines the advantages of enzymatic sensors (high sensitivity) and photoelectrochemical sensors (easy baseline subtraction). Under red-light illumination, the photosensitizer produces singlet oxygen which oxidizes phenolic compounds present in the sample. The subsequent reduction of the oxidized phenolic compounds at the electrode surface gives rise to a quantifiable photocurrent and leads to the generation of a redox cycle. Herein we report the optimization in terms of pH and applied potential of the photoelectrochemical detection of the hydrolysis product of paracetamol, i.e., 4-aminophenol (4-AP), and two antibacterials, namely, cefadroxil (CFD, beta-lactam antibiotic) and doxycycline (DXC, tetracycline antibiotic). The optimized conditions resulted in a detection limit of 0.2 mu mol L-1 for DXC, but in a 10 times higher sensitivity, 20 nmol L-1, for CFD. An even higher sensitivity, 7 nmol L-1, was noted for 4-AP. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000480499200086 |
Publication Date |
2019-06-25 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0003-2700; 5206-882x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
6.32 |
Times cited |
2 |
Open Access |
|
|
| |
Notes |
; FWO and UA-BOF are acknowledged for financial support. The Center for Functional Materials of Seton Hall University is thanked for support (S.M.G. and E.N.C.). Joren Van Loon is thanked for the graphical abstract. This research was supported by the medium scale research infrastructure funding Hercules funding (SEM). ; |
Approved |
Most recent IF: 6.32 |
|
| |
Call Number |
UA @ admin @ c:irua:161831 |
Serial |
5763 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Nevens, F.; Dessein, J.; Meul, M.; Rogge, E.; Verbruggen, I.; Mulier, A.; Van Passel, S.; Lepoutre, J.; Hongenaert, M. |
|
| |
Title |
'On tomorrow's grounds' : Flemish agriculture in 2030: a case of participatory translation of sustainability principles into a vision for the future |
Type |
A1 Journal article |
| |
Year |
2008 |
Publication |
Journal Of Cleaner Production |
Abbreviated Journal |
J Clean Prod |
|
| |
Volume |
16 |
Issue |
10 |
Pages |
1062-1070 |
|
| |
Keywords |
A1 Journal article; Economics |
|
| |
Abstract |
In Flanders (Belgium) there is an obvious lack of clear long-term vision on sustainable development, for society as a whole as well as for the individual sectors of (economic) activity. In this paper we present the first results of a process of vision development for Flemish agriculture, called On tomorrow's grounds. The initiative, taken by Stedula (the Flemish Policy Research Centre for Sustainable Agriculture), shows that discovering core values, stating a concise mission, establishing guiding core principles and working with vivid descriptions of envisaged future systems seem indispensable elements to develop a vision that inspires and mobilizes people and that, eventually, stands a chance of being anchored in the sector's or organisation's culture. The principal method of working of the project was a multi-stakeholder process (MSP) focussed on dialogue. During five extensive stakeholder meetings, representatives of farmers, service industries, food distribution, education, government, research, consumers and NGO's participated in a constructive dialogue on values and mission, principles and two vivid descriptions of envisioned future farms. The concept of the project was welcomed and supported by the Flemish Minister-President and by the Belgian federal state secretary for sustainable development. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000256245800004 |
Publication Date |
2007-08-08 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0959-6526 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
5.715 |
Times cited |
13 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 5.715; 2008 IF: 1.362 |
|
| |
Call Number |
UA @ admin @ c:irua:136765 |
Serial |
6232 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Newsome, G.A.; Kavich, G.; Alvarez-Martin, A. |
|
| |
Title |
Interface for reproducible, multishot direct analysis of solid-phase microextraction samples |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Analytical Chemistry |
Abbreviated Journal |
Anal Chem |
|
| |
Volume |
92 |
Issue |
6 |
Pages |
4182-4186 |
|
| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
| |
Abstract |
An enclosed interface that joins a direct analysis in real time (DART) probe, solid-phase microextraction (SPME) fiber, and the inlet of a high-resolution mass spectrometer is described. Unlike other systems to couple SPME sampling to ambient mass spectrometry, the interface is able to perform discrete analyses on different areas of a single SPME fiber device for up to three technical replicate measurements of one sampling event. Inlet flow speed and desorption temperature are optimized, and reproducibility is demonstrated between replicate analyses on the same derivatized SPME fiber and with sequential fiber sampling events, yielding analyte measurement center of variance (CV) from 3 to 6%. Conditioning is also performed with the enclosed DART. The interface is a straightforward addition to commercially available technologies, and machine diagrams for custom components operated with SPME/DART/MS equipment are included. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000526563900004 |
Publication Date |
2020-02-07 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0003-2700; 5206-882x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
7.4 |
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 7.4; 2020 IF: 6.32 |
|
| |
Call Number |
UA @ admin @ c:irua:181926 |
Serial |
8113 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Neyts, E. |
|
| |
Title |
Algemene chemie : van atomen tot thermodynamica |
Type |
MA2 Book as author |
| |
Year |
2014 |
Publication |
|
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
317 p. |
|
| |
Keywords |
MA2 Book as author; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
Acco |
Place of Publication |
Leuven |
Editor |
|
|
| |
Language |
|
Wos |
|
Publication Date |
|
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
|
ISBN |
978-90-334-9628-8 |
Additional Links |
UA library record |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:128094 |
Serial |
4514 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Neyts, E.; Bogaerts, A. |
|
| |
Title |
Influence of internal energy and impact angle on the sticking behaviour of reactive radicals in thin a-C:H film growth: a molecular dynamics study |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
|
| |
Volume |
8 |
Issue |
17 |
Pages |
2066-2071 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
|
| |
Language |
|
Wos |
000236970300011 |
Publication Date |
2006-03-20 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1463-9076;1463-9084; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.123 |
Times cited |
7 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 4.123; 2006 IF: 2.892 |
|
| |
Call Number |
UA @ lucian @ c:irua:57353 |
Serial |
1625 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Neyts, E.; Bogaerts, A.; de Meyer, M.; van Gils, S. |
|
| |
Title |
Macroscale computer simulations to investigate the chemical vapor deposition of thin metal-oxide films |
Type |
A1 Journal article |
| |
Year |
2007 |
Publication |
Surface and coatings technology |
Abbreviated Journal |
Surf Coat Tech |
|
| |
Volume |
201 |
Issue |
22/23 |
Pages |
8838-8841 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Lausanne |
Editor |
|
|
| |
Language |
|
Wos |
000249340400008 |
Publication Date |
2007-05-02 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0257-8972; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.589 |
Times cited |
5 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.589; 2007 IF: 1.678 |
|
| |
Call Number |
UA @ lucian @ c:irua:64790 |
Serial |
1859 |
|
| 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 |
