| Records |
| Author |
Clima, S.; O'Sullivan, B.J.; Ronchi, N.; Bardon, M.G.; Banerjee, K.; Van den Bosch, G.; Pourtois, G.; van Houdt, J. |
| Title |
Ferroelectric switching in FEFET : physics of the atomic mechanism and switching dynamics in HfZrOx, HfO2 with oxygen vacancies and Si dopants |
Type |
P1 Proceeding |
| Year |
2020 |
Publication |
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Abbreviated Journal |
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| Volume |
|
Issue |
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Pages |
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| Keywords |
P1 Proceeding; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The fine balance between dipole-field energy and anion drift force defines the switching mechanism during polarization reversal: for the first time we show that only Pbcm mechanism obeys the ferroelectric switching physics, whereas P4(2)/nmc (or any other) mechanism does not. However, with lower energy barrier, it represents an important antiferroelectric mechanism. Constraints relaxation can lead to 90 degrees polarization rotation (domain deactivation). Intrinsically, the Si/VO-doping can switch faster than undoped HfO2 or HfZrOx. Theoretical Arrhenius model / intrinsic material switching (DFT) overestimates the switching speed extracted from experiments. |
| 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 |
000717011600218 |
Publication Date |
2021-03-11 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
978-1-7281-8888-1 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
Call Number  |
UA @ admin @ c:irua:184730 |
Serial |
7963 |
| Permanent link to this record |
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| |
| Author |
Alihosseini, M.; Ghasemi, S.; Ahmadkhani, S.; Alidoosti, M.; Esfahani, D.N.; Peeters, F.M.; Neek-Amal, M. |
| Title |
Electronic properties of oxidized graphene : effects of strain and an electric field on flat bands and the energy gap |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
The journal of physical chemistry letters |
Abbreviated Journal |
J Phys Chem Lett |
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
A multiscale modeling and simulation approach, including first-principles calculations, ab initio molecular dynamics simulations, and a tight binding approach, is employed to study band flattening of the electronic band structure of oxidized monolayer graphene. The width offlat bands can be tuned by strain, the external electric field, and the density of functional groups and their distribution. A transition to a conducting state is found for monolayer graphene with impurities when it is subjected to an electric field of similar to 1.0 V/angstrom. Several parallel impurity-induced flat bands appear in the low-energy spectrum of monolayer graphene when the number of epoxy groups is changed. The width of the flat band decreases with an increase in tensile strain but is independent of the electric field strength. Here an alternative and easy route for obtaining band flattening in thermodynamically stable functionalized monolayer graphene is introduced. Our work discloses a new avenue for research on band flattening in monolayer graphene. |
| 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 |
000737988100001 |
Publication Date |
2021-12-27 |
| 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 |
1948-7185 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
9.353 |
Times cited |
7 |
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 9.353 |
| Call Number |
UA @ admin @ c:irua:184725 |
Serial |
6987 |
| Permanent link to this record |
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| |
| Author |
Yagmurcukardes, M.; Sozen, Y.; Baskurt, M.; Peeters, F.M.; Sahin, H. |
| Title |
Interface-dependent phononic and optical properties of GeO/MoSO heterostructures |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
The interface-dependent electronic, vibrational, piezoelectric, and optical properties of van der Waals heterobilayers, formed by buckled GeO (b-GeO) and Janus MoSO structures, are investigated by means of first-principles calculations. The electronic band dispersions show that O/Ge and S/O interface formations result in a type-II band alignment with direct and indirect band gaps, respectively. In contrast, O/O and S/Ge interfaces give rise to the formation of a type-I band alignment with an indirect band gap. By considering the Bethe-Salpeter equation (BSE) on top of G(0)W(0) approximation, it is shown that different interfaces can be distinguished from each other by means of the optical absorption spectra as a consequence of the band alignments. Additionally, the low- and high-frequency regimes of the Raman spectra are also different for each interface type. The alignment of the individual dipoles, which is interface-dependent, either weakens or strengthens the net dipole of the heterobilayers and results in tunable piezoelectric coefficients. The results indicate that the possible heterobilayers of b-GeO/MoSO asymmetric structures possess various electronic, optical, and piezoelectric properties arising from the different interface formations and can be distinguished by means of various spectroscopic techniques. |
| 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 |
000738899600001 |
Publication Date |
2021-12-09 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2040-3364 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
7.367 |
Times cited |
5 |
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 7.367 |
| Call Number |
UA @ admin @ c:irua:184722 |
Serial |
6998 |
| Permanent link to this record |
| |
|
| |
| Author |
Bal, K.M. |
| Title |
Reweighted Jarzynski sampling : acceleration of rare events and free energy calculation with a bias potential learned from nonequilibrium work |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Journal Of Chemical Theory And Computation |
Abbreviated Journal |
J Chem Theory Comput |
| Volume |
17 |
Issue |
11 |
Pages |
6766-6774 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
We introduce a simple enhanced sampling approach for the calculation of free energy differences and barriers along a one-dimensional reaction coordinate. First, a small number of short nonequilibrium simulations are carried out along the reaction coordinate, and the Jarzynski equality is used to learn an approximate free energy surface from the nonequilibrium work distribution. This free energy estimate is represented in a compact form as an artificial neural network and used as an external bias potential to accelerate rare events in a subsequent molecular dynamics simulation. The final free energy estimate is then obtained by reweighting the equilibrium probability distribution of the reaction coordinate sampled under the influence of the external bias. We apply our reweighted Jarzynski sampling recipe to four processes of varying scales and complexities.spanning chemical reaction in the gas phase, pair association in solution, and droplet nucleation in supersaturated vapor. In all cases, we find reweighted Jarzynski sampling to be a very efficient strategy, resulting in rapid convergence of the free energy to high precision. |
| 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 |
000718183600008 |
Publication Date |
2021-10-29 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1549-9618 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
5.245 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 5.245 |
| Call Number |
UA @ admin @ c:irua:184676 |
Serial |
8479 |
| Permanent link to this record |
| |
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| |
| Author |
Pandey, T.; Peeters, F.M.; Milošević, M.V. |
| Title |
Pivotal role of magnetic ordering and strain in lattice thermal conductivity of chromium-trihalide monolayers |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
2D materials |
Abbreviated Journal |
2D Mater |
| Volume |
9 |
Issue |
1 |
Pages |
015034 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Understanding the coupling between spin and phonons is critical for controlling the lattice thermal conductivity (kappa ( l )) in magnetic materials, as we demonstrate here for CrX3 (X = Br and I) monolayers. We show that these compounds exhibit large spin-phonon coupling (SPC), dominated by out-of-plane vibrations of Cr atoms, resulting in significantly different phonon dispersions in ferromagnetic (FM) and paramagnetic (PM) phases. Lattice thermal conductivity calculations provide additional evidence for strong SPC, where particularly large kappa ( l ) is found for the FM phase. Most strikingly, PM and FM phases exhibit radically different behavior with tensile strain, where kappa ( l ) increases with strain for the PM phase, and strongly decreases for the FM phase-as we explain through analysis of phonon lifetimes and scattering rates. Taken all together, we uncover the high significance of SPC on the phonon transport in CrX3 monolayers, a result extendable to other 2D magnetic materials, that will be useful in further design of thermal spin devices. |
| 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 |
000735170300001 |
Publication Date |
2021-12-13 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2053-1583 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
5.5 |
Times cited |
2 |
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 5.5 |
| Call Number |
UA @ admin @ c:irua:184642 |
Serial |
7010 |
| Permanent link to this record |
| |
|
| |
| Author |
Van Hal, M. |
| Title |
Photo(electro)catalytic air purification and soot degradation with simultaneous energy recovery |
Type |
Doctoral thesis |
| Year |
2021 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
XXXII, 203 p. |
| Keywords |
Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Today’s society is increasingly challenged by a range of urgent environmental problems. Air pollution is one of these pressing topics. This thesis will mainly focus on the degradation of volatile organic compounds (VOCs) and particulate matter (PM) – more specifically soot. A second globally urging topic is the quest for sustainable energy production. To simultaneously target both environmental problems, a photoelectrochemical (PEC) cell will be studied in this thesis, combining air purification and sustainable energy production in a single device. Photocatalysis is used at the anode of the PEC cell to drive the air purification process, while the energy contained in the degraded compounds is (partially) recovered at the cathode, either as H2 gas or electricity. The first two experimental chapters focus on the proof of concept of such an unbiased all-gas phase PEC cell targeting VOC degradation, using both TiO2- and WO3-based photocatalysts. In the two following experimental chapters the photocatalytic soot oxidation capacity of these TiO2- and WO3-based photocatalysts was studied. In the final experimental chapter the previously obtained results were combined, striving towards an efficient, sunlight-driven and soot-degrading waste gas-to-energy PEC cell. |
| 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 |
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Publication Date |
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| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
|
ISBN |
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Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:184521 |
Serial |
8378 |
| Permanent link to this record |
| |
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| |
| Author |
Baez, J.F.; Compton, M.; Chahrati, S.; Cánovas, R.; Blondeau, P.; Andrade, F.J. |
| Title |
Controlling the mixed potential of polyelectrolyte-coated platinum electrodes for the potentiometric detection of hydrogen peroxide |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Analytica Chimica Acta |
Abbreviated Journal |
Anal Chim Acta |
| Volume |
1097 |
Issue |
|
Pages |
204-213 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
The use of a Pt electrode coated with a layer of Nafion has been described in previous works as an attractive way to perform the potentiometric detection of hydrogen peroxide. Despite of the attractive features of this approach, the nature of the non-Nernstian response of this system was not properly addressed. In this work, using a mixed potential model, the open circuit potential of the Pt electrode is shown to be under kinetic control of the oxygen reduction reaction (ORR). It is proposed that hydrogen peroxide acts as an oxygenated species that blocks free sites on the Pt surface, interfering with the ORR. Therefore, the effect of the polyelectrolyte coating can be understood in terms of the modulation of the factors that affects the kinetics of the ORR, such as an increase of the H+ concentration, minimization of the effect of the spectator species, etc. Because of the complexity and the lack of models that accurately describe systems with practical applications, this work is not intended to provide a mechanistic but rather a phenomenological view on problem. A general framework to understand the factors that affect the potentiometric response is provided. Experimental evidence showing that the use of polyelectrolyte coatings are a powerful way to control the mixed potential open new ways for the development of robust and simple potentiometric sensors. |
| 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 |
|
Publication Date |
2019-11-13 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-2670; 1873-4324 |
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
6.2 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 6.2; 2020 IF: 4.95 |
| Call Number |
UA @ admin @ c:irua:184381 |
Serial |
7731 |
| Permanent link to this record |
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| |
| Author |
Liu, Y.; Cánovas, R.; Crespo, G.A.; Cuartero, M. |
| Title |
Thin-layer potentiometry for creatinine detection in undiluted human urine using ion-exchange membranes as barriers for charged interferences |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Analytical Chemistry |
Abbreviated Journal |
Anal Chem |
| Volume |
92 |
Issue |
4 |
Pages |
3315-3323 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
Herein, thin-layer potentiometry combined with ion-exchange membranes as barriers for charged interferences is demonstrated for the analytical detection of creatinine (CRE) in undiluted human urine. Briefly, CRE diffuses through an anion-exchange membrane (AEM) from a sample contained in one fluidic compartment to a second reservoir, containing the enzyme CRE deiminase. There, CRE reacts with the enzyme, and the formation of ammonium is dynamically monitored by potentiometric ammonium-selective electrodes. This analytical concept is integrated into a lab-on-a-chip microfluidic cell that allows for a high sample throughput and the operation under stop-flow mode, which allows CRE to passively diffuse across the AEM. Conveniently, positively charged species (i.e., potassium, sodium, and ammonium, among others) are repelled by the AEM and never reach the ammonium-selective electrodes; thus, possible interference in the response can be avoided. As a result, the dynamic potential response of the electrodes is entirely ascribed to the stoichiometric formation of ammonium. The new CRE biosensor exhibits a Nernstian slope, within a linear range of response from 1 to 50 mM CRE concentration. As expected, the response time (15–60 min) primarily depends on the CRE diffusion across the AEM. CRE analysis in urine samples displayed excellent results, without requiring sample pretreatment (before the introduction of the sample in the microfluidic chip) and with high compatibility with development into a potential point-of-care clinical tool. In an attempt to decrease the analysis time, the presented analytical methodology for CRE detection is translated into an all-solid-state platform, in which the enzyme is immobilized on the surface of the ammonium-selective electrode and with the AEM on top. While more work is necessary in this direction, the CRE sensor appears to be promising for CRE analysis in both urine and blood. |
| 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 |
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Publication Date |
2020-01-23 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-2700; 5206-882x |
ISBN |
|
Additional Links |
UA library record |
| 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:184380 |
Serial |
8667 |
| Permanent link to this record |
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| |
| Author |
Ciftci, S.; Cánovas, R.; Neumann, F.; Paulraj, T.; Nilsson, M.; Crespo, G.A.; Madaboosi, N. |
| Title |
The sweet detection of rolling circle amplification : glucose-based electrochemical genosensor for the detection of viral nucleic acid |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Biosensors & Bioelectronics |
Abbreviated Journal |
Biosens Bioelectron |
| Volume |
151 |
Issue |
|
Pages |
112002-112008 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
Herein, an isothermal padlock probe-based assay for the simple and portable detection of pathogens coupled with a glucose oxidase (GOx)-based electrochemical readout is reported. Infectious diseases remain a constant threat on a global scale, as in recurring pandemics. Rapid and portable diagnostics hold the promise to tackle the spreading of diseases and decentralising healthcare to point-of-care needs. Ebola, a hypervariable RNA virus causing fatalities of up to 90% for recent outbreaks in Africa, demands immediate attention for bedside diagnostics. The design of the demonstrated assay consists of a rolling circle amplification (RCA) technique, responsible for the generation of nucleic acid amplicons as RCA products (RCPs). The RCPs are generated on magnetic beads (MB) and subsequently, connected via streptavidin-biotin bonds to GOx. The enzymatic catalysis of glucose by the bound GOx allows for an indirect electrochemical measurement of the DNA target. The RCPs generated on the surface of the MB were confirmed by scanning electron microscopy, and among other experimental conditions such as the type of buffer, temperature, concentration of GOx, sampling and measurement time were evaluated for the optimum electrochemical detection. Accordingly, 125 μg mL−1 of GOx with 5 mM glucose using phosphate buffer saline (PBS), monitored for 1 min were selected as the ideal conditions. Finally, we assessed the analytical performance of the biosensing strategy by using clinical samples of Ebola virus from patients. Overall, this work provides a proof-of-concept bioassay for simple and portable molecular diagnostics of emerging pathogens using electrochemical detection, especially in resource-limited settings. |
| 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 |
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Publication Date |
2019-12-30 |
| 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 |
0956-5663 |
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
12.6 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 12.6; 2020 IF: 7.78 |
| Call Number |
UA @ admin @ c:irua:184379 |
Serial |
8630 |
| Permanent link to this record |
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| |
| Author |
Thiruvottriyur Shanmugam, S.; Van Echelpoel, R.; Boeye, G.; Eliaerts, J.; Samanipour, M.; Ching, H.Y.V.; Florea, A.; Van Doorslaer, S.; Van Durme, F.; Samyn, N.; Parrilla, M.; De Wael, K. |
| Title |
Towards developing a screening strategy for ecstasy : revealing the electrochemical profile |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Chemelectrochem |
Abbreviated Journal |
Chemelectrochem |
| Volume |
8 |
Issue |
24 |
Pages |
4826-4834 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Organic synthesis (ORSY); Applied Electrochemistry & Catalysis (ELCAT); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
| Abstract |
This article describes the development of an electrochemical screening strategy for 3,4-methylenedioxymethamphetamine (MDMA), the regular psychoactive compound in ecstasy (XTC) pills. We have investigated the specific electrochemical profile of MDMA and its electro-oxidation mechanisms at disposable graphite screen-printed electrodes. We have proved that the formation of a radical cation and subsequent reactions are indeed responsible for the electrode surface passivation, as evidenced by using electron paramagnetic resonance spectroscopy and electrochemistry. Thereafter, pure cutting agents and MDMA as well as simulated binary mixtures of compounds with MDMA were subjected to square wave voltammetry at pH 7 to understand the characteristic electrochemical profile. An additional measurement at pH 12 was able to resolve false positives and negatives occurring at pH 7. Finally, validation of the screening strategy was done by measuring a set of ecstasy street samples. Overall, our proposed electrochemical screening strategy has been demonstrated for the rapid, sensitive, and selective detection of MDMA, resolving most of the false positives and negatives given by the traditional Marquis color tests, thus exhibiting remarkable promises for the on-site screening of MDMA. |
| 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 |
000735883700020 |
Publication Date |
2021-12-22 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2196-0216 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.136 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 4.136 |
| Call Number |
UA @ admin @ c:irua:184371 |
Serial |
8680 |
| Permanent link to this record |
| |
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| |
| Author |
Bartholomeeusen, E.; De Cremer, G.; Kennes, K.; Hammond, C.; Hermans, I.; Lu, J.-B.; Schryvers, D.; Jacobs, P.A.; Roeffaers, M.B.J.; Hofkens, J.; Sels, B.F.; Coutino-Gonzalez, E. |
| Title |
Optical encoding of luminescent carbon nanodots in confined spaces |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Chemical Communications |
Abbreviated Journal |
Chem Commun |
| Volume |
57 |
Issue |
90 |
Pages |
11952-11955 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Stable emissive carbon nanodots were generated in zeolite crystals using near infrared photon irradiation gradually converting the occluded organic template, originally used to synthesize the zeolite crystals, into discrete luminescent species consisting of nano-sized carbogenic fluorophores, as ascertained using Raman microscopy, and steady-state and time-resolved spectroscopic techniques. Photoactivation in a confocal laser fluorescence microscope allows 3D resolved writing of luminescent carbon nanodot patterns inside zeolites providing a cost-effective and non-toxic alternative to previously reported metal-based nanoclusters confined in zeolites, and opens up opportunities in bio-labelling and sensing applications. |
| 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 |
000711122000001 |
Publication Date |
2021-10-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1359-7345; 1364-548x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.319 |
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 6.319 |
| Call Number |
UA @ admin @ c:irua:184147 |
Serial |
6876 |
| Permanent link to this record |
| |
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| |
| Author |
Lezaack, M.B.; Hannard, F.; Zhao, L.; Orekhov, A.; Adrien, J.; Miettinen, A.; Idrissi, H.; Simar, A. |
| Title |
Towards ductilization of high strength 7XXX aluminium alloys via microstructural modifications obtained by friction stir processing and heat treatments |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Materialia |
Abbreviated Journal |
|
| Volume |
20 |
Issue |
|
Pages |
101248 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
High strength 7XXX aluminium series reach exceptional strength, higher than all other industrial aluminium alloys. However, they suffer from a lack of ductility compared to softer series. This work presents a procedure to improve the ductility of 7475 Al alloy in high strength condition, reaching a true fracture strain of 70% at full 500 MPa T6 yield strength. Using friction stir processing (FSP) and post-FSP heat treatments, 100% of industrial rolled material T6 yield stress is maintained but a 180% increase in fracture strain is measured for the processed material. This ductility improvement is studied by in-situ synchrotron X-ray tomography and is explained by the reduction of intermetallic particles size and the homogenization of their spatial distribution. Furthermore, the microstructure after FSP shows equiaxed refined grains which favour crack deviation as opposed to large cracks parallel to the elongated coarse grains in rolled plate. These results are paving the way to better formability and crashworthiness of 7XXX alloys. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000718127100006 |
Publication Date |
2021-10-19 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2589-1529 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:184145 |
Serial |
6894 |
| Permanent link to this record |
| |
|
| |
| Author |
Hoat, D.M.; Duy Khanh Nguyen; Bafekry, A.; Vo Van On; Ul Haq, B.; Hoang, D.-Q.; Cocoletzi, G.H.; Rivas-Silva, J.F. |
| Title |
Developing feature-rich electronic and magnetic properties in the beta-As monolayer for spintronic and optoelectronic applications by C and Si doping : a first-principles study |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Surfaces and interfaces |
Abbreviated Journal |
|
| Volume |
27 |
Issue |
|
Pages |
101534 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
In this work, the carbon (C) and silicon (Si) doping and codoping effects on beta-arsenene (As) monolayer structural, electronic, and magnetic properties have been comprehensively investigated using first-principles calculations. The studied two-dimensional (2D) materials exhibit good stability. Pristine beta-As single layer is an indirect gap semiconductor with a band gap of 1.867(2.441) eV as determined by PBE(HSE06) functional. Due to the difference in atomic size and electronic interactions, C and Si substitution induces a significant local structural distortion. Depending upon dopant concentration and doping sites, feature-rich electronic properties including non-magnetic semiconductor, magnetic semiconductor and half-metallicity may be obtained, which result from p-p interactions. High spin-polarization at the Fermi level vicinity and significant magnetism suggest As:1C, As:2C, As:1Si, As:2Si, and As:CSi systems as prospective spintronic 2D materials. While, the C-C, Si-Si, and C-Si dimer doping decreases electronic band gap, making the layer more suitable for applications in optoelectronic devices. Results presented herein may suggest an efficient approach to create novel multi-functional 2D materials from beta-As monolayer. |
| Address |
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| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000711791100002 |
Publication Date |
2021-10-19 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2468-0230 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:184138 |
Serial |
6979 |
| Permanent link to this record |
| |
|
| |
| Author |
Villarreal, R.; Lin, P.-C.; Faraji, F.; Hassani, N.; Bana, H.; Zarkua, Z.; Nair, M.N.; Tsai, H.-C.; Auge, M.; Junge, F.; Hofsaess, H.C.; De Gendt, S.; De Feyter, S.; Brems, S.; Ahlgren, E.H.; Neyts, E.C.; Covaci, L.; Peeters, F.M.; Neek-Amal, M.; Pereira, L.M.C. |
| Title |
Breakdown of universal scaling for nanometer-sized bubbles in graphene |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Nano Letters |
Abbreviated Journal |
Nano Lett |
| Volume |
21 |
Issue |
19 |
Pages |
8103-8110 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
We report the formation of nanobubbles on graphene with a radius of the order of 1 nm, using ultralow energy implantation of noble gas ions (He, Ne, Ar) into graphene grown on a Pt(111) surface. We show that the universal scaling of the aspect ratio, which has previously been established for larger bubbles, breaks down when the bubble radius approaches 1 nm, resulting in much larger aspect ratios. Moreover, we observe that the bubble stability and aspect ratio depend on the substrate onto which the graphene is grown (bubbles are stable for Pt but not for Cu) and trapped element. We interpret these dependencies in terms of the atomic compressibility of the noble gas as well as of the adhesion energies between graphene, the substrate, and trapped atoms. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000709549100026 |
Publication Date |
2021-09-14 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1530-6984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
12.712 |
Times cited |
24 |
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 12.712 |
| Call Number |
UA @ admin @ c:irua:184137 |
Serial |
6857 |
| Permanent link to this record |
| |
|
| |
| Author |
Sanchez-Iglesias, A.; Jenkinson, K.; Bals, S.; Liz-Marzan, L.M. |
| Title |
Kinetic regulation of the synthesis of pentatwinned gold nanorods below room temperature |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Journal Of Physical Chemistry C |
Abbreviated Journal |
J Phys Chem C |
| Volume |
125 |
Issue |
43 |
Pages |
23937-23944 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
The synthesis of gold nanorods requires the presence of symmetry-breaking and shape-directing additives, among which bromide ions and quaternary ammonium surfactants have been reported as essential. As a result, hexadecyltrimethylammonium bromide (CTAB) has been selected as the most efficient surfactant to direct anisotropic growth. One of the difficulties arising from this selection is the low solubility of CTAB in water at room temperature, and therefore the seeded growth of gold nanorods is usually performed at 25 degrees C or above, which has restricted so far the analysis of kinetic effects derived from lower temperatures. We report a systematic study of the synthesis of gold nanorods from pentatwinned seeds using hexadecyltrimethylammonium chloride (CTAC) as the principal surfactant and a low concentration of bromide as shape-directing agent. Under these conditions, the synthesis can be performed at temperatures as low as 8 degrees C, and the corresponding kinetic effects can be studied, resulting in temperature-controlled aspect ratio tunability. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000716453300038 |
Publication Date |
2021-10-23 |
| 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 |
6 |
Open Access |
OpenAccess |
| Notes |
realnano; sygmaSB; This work was supported by the National Science Foundation (NSF) under award NSF CHE-1808502 (P.C. and I.J.). This work made use of the EPIC facility of Northwestern University's NUANCE Center, which has received support from the SHyNE Resource (NSF ECCS-2025633), the IIN, and Northwestern's MRSEC program (NSF DMR-1720139). D.A E. and S.B. acknowledge funding from the European Research Council under the European Union's Horizon 2020 research and innovation program (ERC Consolidator Grants No. 815128 REALNANO and Grant Agreement No. 731019 EUSMI). |
Approved |
Most recent IF: 4.536 |
| Call Number |
UA @ admin @ c:irua:184104 |
Serial |
6868 |
| Permanent link to this record |
| |
|
| |
| Author |
Milošević, M.V.; Mandrus, D. |
| Title |
2D quantum materials : magnetism and superconductivity |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Journal Of Applied Physics |
Abbreviated Journal |
J Appl Phys |
| Volume |
130 |
Issue |
18 |
Pages |
180401 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000720289900004 |
Publication Date |
2021-11-11 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0021-8979; 1089-7550 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
2.068 |
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 2.068 |
| Call Number |
UA @ admin @ c:irua:184090 |
Serial |
6963 |
| Permanent link to this record |
| |
|
| |
| Author |
Chaney, G.; Cakir, D.; Peeters, F.M.; Ataca, C. |
| Title |
Stability of adsorption of Mg and Na on sulfur-functionalized MXenes |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Physical Chemistry Chemical Physics |
Abbreviated Journal |
Phys Chem Chem Phys |
| Volume |
23 |
Issue |
44 |
Pages |
25424-25433 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Two-dimensional materials composed of transition metal carbides and nitrides (MXenes) are poised to revolutionize energy conversion and storage. In this work, we used density functional theory (DFT) to investigate the adsorption of Mg and Na adatoms on five M2CS2 monolayers (where M = Mo, Nb, Ti, V, and Zr) for battery applications. We assessed the stability of the adatom (i.e. Na and Mg)-monolayer systems by calculating adsorption and formation energies, as well as voltages as a function of surface coverage. For instance, we found that Mo2CS2 cannot support a full layer of Na nor even a single Mg atom. Na and Mg exhibit the strongest binding on Zr2CS2, followed by Ti2CS2, Nb2CS2 and V2CS2. Using the nudged elastic band method (NEB), we computed promising diffusion barriers for both dilute and nearly full ion surface coverage cases. In the dilute ion adsorption case, a single Mg and Na atom on Ti2CS2 experience similar to 0.47 eV and similar to 0.10 eV diffusion barriers between the lowest energy sites, respectively. For a nearly full surface coverage, a Na ion moving on Ti2CS2 experiences a similar to 0.33 eV energy barrier, implying a concentration-dependent diffusion barrier. Our molecular dynamics results indicate that the three (one) layers (layer) of the Mg (Na) ion on both surfaces of Ti2CS2 remain stable at T = 300 K. While, according to voltage calculations, Zr2CS2 can store Na up to three atomic layers, our MD simulations predict that the outermost layers detach from the Zr2CS2 monolayer due to the weak interaction between Na ions and the monolayer. This suggests that MD simulations are essential to confirm the stability of an ion-electrode system – an insight that is mostly absent in previous studies. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000716024400001 |
Publication Date |
2021-10-22 |
| 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 |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 4.123 |
| Call Number |
UA @ admin @ c:irua:184075 |
Serial |
7020 |
| Permanent link to this record |
| |
|
| |
| Author |
Tao, Z.H.; Dong, H.M.; Milošević, M.V.; Peeters, F.M.; Van Duppen, B. |
| Title |
Tailoring dirac plasmons via anisotropic dielectric environment by design |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Physical Review Applied |
Abbreviated Journal |
Phys Rev Appl |
| Volume |
16 |
Issue |
5 |
Pages |
054030 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Dirac plasmons in a two-dimensional (2D) crystal are strongly affected by the dielectric properties of the environment, due to interaction of their electric field lines with the surrounding medium. Using graphene as a 2D reservoir of free carriers, one can engineer a material configuration that provides an anisotropic environment to the plasmons. In this work, we discuss the physical properties of Dirac plasmons in graphene surrounded by an arbitrary anisotropic dielectric and exemplify how h-BN-based heterostructures can be designed to bear the required anisotropic characteristics. We calculate how dielec-tric anisotropy impacts the spatial propagation of the plasmons and find that an anisotropy-induced plasmon mode emerges, together with a damping pathway, that stem from the out-of-plane off-diagonal elements in the dielectric tensor. Furthermore, we find that one can create hyperbolic plasmons by inher-iting the dielectric hyperbolicity of the designed material environment. Strong control over plasmon propagation patterns can be realized in a similar manner. Finally, we show that in this way one can also control the polarization of the light-matter excitations that constitute the plasmon. Taken together, our results promote the design of the dielectric environment as an effective path to tailor the plasmonic response of graphene on the nanoscopic level. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000720372500002 |
Publication Date |
2021-11-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2331-7019 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.808 |
Times cited |
2 |
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 4.808 |
| Call Number |
UA @ admin @ c:irua:184063 |
Serial |
7028 |
| Permanent link to this record |
| |
|
| |
| Author |
Pinto, N.; McNaughton, B.; Minicucci, M.; Milošević, M.V.; Perali, A. |
| Title |
Electronic transport mechanisms correlated to structural properties of a reduced graphene oxide sponge |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Nanomaterials |
Abbreviated Journal |
Nanomaterials-Basel |
| Volume |
11 |
Issue |
10 |
Pages |
2503 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
We report morpho-structural properties and charge conduction mechanisms of a foamy “graphene sponge ”, having a density as low as & AP;0.07 kg/m3 and a carbon to oxygen ratio C:O & SIME; 13:1. The spongy texture analysed by scanning electron microscopy is made of irregularly-shaped millimetres-sized small flakes, containing small crystallites with a typical size of & SIME;16.3 nm. A defect density as high as & SIME;2.6 x 1011 cm-2 has been estimated by the Raman intensity of D and G peaks, dominating the spectrum from room temperature down to & SIME;153 K. Despite the high C:O ratio, the graphene sponge exhibits an insulating electrical behavior, with a raise of the resistance value at & SIME;6 K up to 5 orders of magnitude with respect to the room temperature value. A variable range hopping (VRH) conduction, with a strong 2D character, dominates the charge carriers transport, from 300 K down to 20 K. At T < 20 K, graphene sponge resistance tends to saturate, suggesting a temperature-independent quantum tunnelling. The 2D-VRH conduction originates from structural disorder and is consistent with hopping of charge carriers between sp2 defects in the plane, where sp3 clusters related to oxygen functional groups act as potential barriers.</p> |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000713174500001 |
Publication Date |
2021-09-28 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2079-4991 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
3.553 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 3.553 |
| Call Number |
UA @ admin @ c:irua:184050 |
Serial |
6988 |
| Permanent link to this record |
| |
|
| |
| Author |
Juneja, R.; Thebaud, S.; Pandey, T.; Polanco, C.A.; Moseley, D.H.; Manley, M.E.; Cheng, Y.Q.; Winn, B.; Abernathy, D.L.; Hermann, R.P.; Lindsay, L. |
| Title |
Quasiparticle twist dynamics in non-symmorphic materials |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Materials Today Physics |
Abbreviated Journal |
|
| Volume |
21 |
Issue |
|
Pages |
100548 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Quasiparticle physics underlies our understanding of the microscopic dynamical behaviors of materials that govern a vast array of properties, including structural stability, excited states and interactions, dynamical structure factors, and electron and phonon conductivities. Thus, understanding band structures and quasiparticle interactions is foundational to the study of condensed matter. Here we advance a 'twist' dynamical description of quasiparticles (including phonons and Bloch electrons) in nonsymmorphic chiral and achiral materials. Such materials often have structural complexity, strong thermal resistance, and efficient thermoelectric performance for waste heat capture and clean refrigeration technologies. The twist dynamics presented here provides a novel perspective of quasiparticle behaviors in such complex materials, in particular highlighting how non-symmorphic symmetries determine band crossings and anti-crossings, topological behaviors, quasiparticle interactions that govern transport, and observables in scattering experiments. We provide specific context via neutron scattering measurements and first-principles calculations of phonons and electrons in chiral tellurium dioxide. Building twist symmetries into the quasiparticle dynamics of non-symmorphic materials offers intuition into quasi particle behaviors, materials properties, and guides improved experimental designs to probe them. More specifically, insights into the phonon and electron quasiparticle physics presented here will enable materials design strategies to control interactions and transport for enhanced thermoelectric and thermal management applications. (C) 2021 Published by Elsevier Ltd. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000708226400009 |
Publication Date |
2021-09-30 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2542-5293 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:184040 |
Serial |
7016 |
| Permanent link to this record |
| |
|
| |
| Author |
Ortiz-Aguayo, D.; De Wael, K.; del Valle, M. |
| Title |
Voltammetric sensing using an array of modified SPCE coupled with machine learning strategies for the improved identification of opioids in presence of cutting agents |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Journal Of Electroanalytical Chemistry |
Abbreviated Journal |
J Electroanal Chem |
| Volume |
902 |
Issue |
|
Pages |
115770 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
| Abstract |
This work reports the use of modified screen-printed carbon electrodes (SPCEs) for the identification of three drugs of abuse and two habitual cutting agents, caffeine and paracetamol, combining voltammetric sensing and chemometrics. In order to achieve this goal, codeine, heroin and morphine were subjected to Square Wave Voltammetry (SWV) at pH 7, in order to elucidate their electrochemical fingerprints. The optimized SPCEs electrode array, which have a differentiated response for the three oxidizable compounds, was derived from Carbon, Prussian blue, Cobalt (II) phthalocyanine, Copper (II) oxide, Polypyrrole and Palladium nanoparticles ink-modified carbon electrodes. Finally, Principal Component Analysis (PCA) coupled with Silhouette parameter assessment was used to select the most suitable combination of sensors for identification of drugs of abuse in presence of cutting agents. |
| Address |
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| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000714415500006 |
Publication Date |
2021-10-13 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1572-6657; 1873-2569 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.012 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 3.012 |
| Call Number |
UA @ admin @ c:irua:184018 |
Serial |
8745 |
| Permanent link to this record |
| |
|
| |
| Author |
Mahadi, A.H.; Ye, L.; Fairclough, S.M.; Qu, J.; Wu, S.; Chen, W.; Papaioannou, E.; Ray, B.; Pennycook, T.J.; Haigh, S.J.; Young, N.P.; Tedsree, K.; Metcalfe, I.S.; Tsang, S.C.E. |
| Title |
Beyond surface redox and oxygen mobility at pd-polar ceria (100) interface : underlying principle for strong metal-support interactions in green catalysis |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Applied Catalysis B-Environmental |
Abbreviated Journal |
Appl Catal B-Environ |
| Volume |
270 |
Issue |
|
Pages |
118843 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
When ceria is used as a support for many redox catalysis involved in green catalysis, it is well-known that the overlying noble metal can gain access to a significant quantity of oxygen atoms with high mobility and fast reduction and oxidation properties under mild conditions. However, it is as yet unclear what the underlying principle and the nature of the ceria surface involved are. By using two tailored morphologies of ceria nanocrystals, namely cubes and rods, it is demonstrated from Scanning Transmission Electron Microscopy with Electron Energy Loss Spectroscopy (STEM-EELS) mapping and Pulse Isotopic Exchange (PIE) that ceria nano-cubes terminated with a polar surface (100) can give access to more than the top most layer of surface oxygen atoms. Also, they give higher oxygen mobility than ceria nanorods with a non-polar facet of (110). A new insight for the possible additional role of polar ceria surface plays in the oxygen mobility is obtained from Density Functional Theory (DFT) calculations which suggest that the (100) surface sites that has more than half-filled O on same plane can drive oxygen atoms to oxidise adsorbate(s) on Pd due to the strong electrostatic repulsion. |
| Address |
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| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000526110500007 |
Publication Date |
2020-03-04 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0926-3373 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
22.1 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 22.1; 2020 IF: 9.446 |
| Call Number |
UA @ admin @ c:irua:183959 |
Serial |
6856 |
| Permanent link to this record |
| |
|
| |
| Author |
Peeters, M. |
| Title |
The added value of Smart Product-Service Systems to real estate developments |
Type |
Doctoral thesis |
| Year |
2021 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
117 p. |
| Keywords |
Doctoral thesis; Economics; Engineering Management (ENM); Internet Data Lab (IDLab) |
| Abstract |
Socially responsible investments can be defined as an investment process that integrates ethical values and environmental protection, improving social conditions, and good governance into a traditional investment decision. This integration is mainly a consequence of the growing importance that investors give to environmental, social, and governance (ESG) criteria, resulting in more sustainable development. Also, in the real estate sector, increased attention is being paid to the contributions made to integrate economic, environmental, and social factors into decisions. The ESG framework looks closely at how companies are managed, and the impact related to their market value. The factors for investors’ focus are summarized as environmental, social, and governance. The term ESG was coined in a 2004 United Nations (UN) report titled “Who Cares Wins,” aimed at raising awareness regarding the importance of environmental, social, and corporate governance issues in financial markets. The ESG criteria’s specific purpose is to guide investors in recognizing sustainable investments without evaluating how sustainable the asset is or the investment value represented by sustainability. It is essential to underline that ESG does not take specific economic interests into account. The rationale behind this apparent gap is that investors investigate the economic aspects before investing. However, by not explicitly linking ESG and economic criteria, attractive investments are often misjudged and not implemented. For example, investments that only show their value in the longer term or indirectly influence value by achieving a higher retention rate among incumbent tenants, reducing or eliminating friction costs. A product–service system (PSS) refers to a market proposition (business model) that builds on a product’s traditional functionality by incorporating additional services. Although services are already offered, the PSS function is to link the service to a product. The service thereby supports the operation of the product and generates additional benefits. It encompasses the integrated solutions of products and services to satisfy customers' needs and generate maximum value. According to Sutanto et al., a PSS is designed to focus on sustainability characterized in three dimensions. 1. The economic dimension 2. The environmental dimension 3. The social dimension When discussing sustainability in this thesis, we use the criteria listed above related to socially responsible investments. The link between PSS and ESG is that a PSS focuses on creating a sustainable system, and ESG makes sustainability more visible to investors. Therefore, when PSS are recognized and implemented in buildings, they must be evaluated using ESG analysis methods. Product-Service Systems (PSS) try to find a way to offer services on top of a product. The product is essentially secondary to the result that is delivered from the services. For example, the modem (product) that a cable company provides will be of secondary importance to the connectivity (service). Alternatively, it will be less critical how heat is made (product) than the intended set point is achieved in the building. PSSs transform the supply of products into services. In doing so, the responsibility shifts from delivering a product (once only) to continuous service delivery. Therefore, it is in the best interest of the service provider to deliver the outcome of the service as efficiently (read: lowest cost) as possible. A direct consequence of this is that the service provider will want to use the product as efficiently as possible and as long as possible to reduce his costs. Therefore, the supplier will also want to recover and maximize the reuse of his product based on the same rationale. A positive impact on the environment and the used raw materials is thus to be expected. The whole process of servitization (transforming products into services) in real estate will positively impact the Economic, Environmental and Social factors. Therefore, demonstrating this proposition is the main objective of this thesis. Smart PSS is the same idea as Product-Service systems but in which the digitization of the services plays a key role. It will be shown that by digitizing services, a broader range can be offered. It will be demonstrated that products that provide services at the building level can, through their interconnectedness, also provide services to external systems (e.g. electricity grid, urban planning, mobility, ...). At the same time, digitizing the products and services will also underpin trust in the systems and allow for proper remuneration. In this PhD, different standard systems in a building, such as the reservation system, the water heater, or the fire detection system, are equipped with additional services. A PSS is often specifically designed to focus on economic, social, and environmental dimensions. These dimensions correspond to the investor’s examination as part of the ESG analysis before investing. As the PSS is often specifically designed to integrate sustainability, there is a close link between the sustainability performance of the PSS and the ESG criteria evaluated by the investor. Throughout the work, the owner is considered to be the user of the building. It is not the case that only an owner-user can generate cash flow. In essence, if they have sufficient rights to the underlying product, any building user can activate services that generate cash flow. In today's market, it is logical that this is viewed in the owner-user context as they will usually choose the products to be installed in larger technical installations. They may have previously used a PSS or choose to move to one. However, a building’s tenant could choose to lease out their meeting rooms if they are not contractually prohibited from doing so since, in practice, contracts have begun to prohibit certain services. For example, rental contracts that actively prohibit renting out a property through platforms such as Airbnb. Thus, the user’s function could potentially impact how the PSS is designed. This work does not explicitly explore the impact of this aspect. The owner-user is assumed throughout this manuscript. The second chapter describes the state of affairs concerning PSSs in a broad framework evolving towards focusing on the real estate sector. After which, in the second chapter, ESG and the link to real estate and how smart real estate (smart buildings) is missing from this evaluation are discussed in more detail. Chapter 3 shows from a fire alarm system, which was extended with an evacuation support system, the usefulness, and the risk of data. Further work was done to demonstrate the added value in terms of Economic, Environmental and Social factors of standard installations in buildings. In Chapter 4, a simple sanitary hot water boiler is extended with a service that allows controlling this boiler according to the status of the electricity grid (surplus or shortage of energy). The supply and demand of energy on the power grid must be equal at all times. By equipping a classic water heater (product) with additional intelligence (service), it becomes possible to adjust the energy use to the grid's needs. The grid operators are prepared to pay for this. This payment can be linked to different energy markets (long term market, spot market, ...). This study looked at the fee that would have to be paid when the adjustment of the energy use can be made instantaneously so that the fee must be settled according to the prices on the imbalance market. In chapter 5, we look at the impact of the service to rent out free spaces as co-working places on a broad market (external to the building), compared to a regular reservation system. By renting out unused workplaces on a broad market, the utilization of the existing patrimony will be higher. The demand for new square meters with the same function will decrease as the supply-demand curve changes, and so will the price. This makes it less interesting to build new buildings. Less construction of new buildings will result in fewer resources being used, which will positively affect the environment. In addition, fewer new buildings with an office function will leave more space for buildings with another function. Also, the city's infrastructure will be less burdened (roads, sewerage, electricity grid,...). In The Hague, the decreasing need for new square meters of office buildings can lead to more space for affordable housing, for which the city has a great need. Chapter 6 will frame the valuation of service as a real options method that gives an impetus to a general valuation methodology to value the flexibility that Smart PSS inherently has. Finally, this thesis demonstrates that (smart) PSSs impact real estate profitability, while positively influencing environmental and social factors. Further research and the limitations of the studies conducted are documented. This PhD concludes that Product-Service systems should break the silos between different stakeholders, resulting in a lower total cost of ownership of buildings in the longer term. This can only be achieved if the valuation of Product-Service systems is done correctly and is recognized by every stakeholder in the real estate process. |
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UA library record |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:183415 |
Serial |
6912 |
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| Author |
Van Tendeloo, M.; Bundervoet, B.; Carlier, N.; Van Beeck, W.; Mollen, H.; Lebeer, S.; Colsen, J.; Vlaeminck, S.E. |
| Title |
Piloting carbon-lean nitrogen removal for energy-autonomous sewage treatment |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Environmental Science-Water Research & Technology |
Abbreviated Journal |
Environ Sci-Wat Res |
| Volume |
7 |
Issue |
12 |
Pages |
2268-2281 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Energy-autonomous sewage treatment can be achieved if nitrogen (N) removal does not rely on organic carbon (∼chemical oxygen demand, COD), so that a maximum of the COD can be redirected to energy recovery. Shortcut N removal technologies such as partial nitritation/anammox and nitritation/denitritation are therefore essential, enabling carbon- and energy-lean nitrogen removal. In this study, a novel three-reactor pilot design was tested and consisted of a denitrification, an intermittent aeration, and an anammox tank. A vibrating sieve was added for differential sludge retention time (SRT) control. The 13 m3 pilot was operated on pre-treated sewage (A-stage effluent) at 12–24 °C. Selective suppression of unwanted nitrite-oxidizing bacteria over aerobic ammonium-oxidizing bacteria was achieved with strict floccular SRT management combined with innovative aeration control, resulting in a minimal nitrate production ratio of 17 ± 10%. Additionally, anoxic ammonium-oxidizing bacteria (AnAOB) activity could be maintained in the reactor for at least 150 days because of long granular SRT management and the anammox tank. Consequently, the COD/N removal ratio of 2.3 ± 0.7 demonstrated shortcut N removal almost three times lower than the currently applied nitrification/denitrification technology. The effluent total N concentrations of 17 ± 3 mg TN per L (at 21 ± 1 °C) and 17 ± 6 mg TN per L (at 15 ± 1 °C) were however too high for application at the sewage treatment plant Nieuwveer (Breda, The Netherlands). Corresponding N removal efficiencies were 52 ± 12% and 37 ± 21%, respectively. Further development should focus on redirecting more nitrite to AnAOB in the B-stage, exploring effluent-polishing options, or cycling nitrate for increased A-stage denitrification. |
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Wos |
000714159900001 |
Publication Date |
2021-10-29 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
2053-1400 |
ISBN |
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Additional Links |
UA library record; WoS full record |
| Impact Factor |
2.817 |
Times cited |
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Open Access |
OpenAccess |
| Notes |
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Approved |
Most recent IF: 2.817 |
| Call Number |
UA @ admin @ c:irua:183347 |
Serial |
8383 |
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| Author |
Drăgan, A.-M.; Parrilla, M.; Feier, B.; Oprean, R.; Cristea, C.; De Wael, K. |
| Title |
Analytical techniques for the detection of amphetamine-type substances in different matrices : a comprehensive review |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Trac-Trends In Analytical Chemistry |
Abbreviated Journal |
Trac-Trend Anal Chem |
| Volume |
145 |
Issue |
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Pages |
116447 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
| Abstract |
This current review focuses on contributions to amphetamine-type substances (ATS) analysis. This type of synthetic illicit drugs has been increasingly present worldwide reaching 5% of the market on illicit drugs in 2019. The increment of their production in many clandestine laboratories and easy distribution among society are two of the main concerns towards the battle against synthetic drugs. Therefore, the first part of this review details the classification and mechanism of action of ATS in the human body. Second, the pharmacological and toxicological effects of ATS on human health are described to motivate the need of early detection of ATS. Subsequently, the most used laboratory-based and portable methods are presented and critically discussed along the review. Finally, a careful discussion on the advantages and disadvantages of portable techniques employed on the field are addressed as potential tools for on-site ATS detection by law enforcement officers. |
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Wos |
000723747000009 |
Publication Date |
2021-09-30 |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0165-9936; 1879-3142 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
8.442 |
Times cited |
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Open Access |
OpenAccess |
| Notes |
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Approved |
Most recent IF: 8.442 |
| Call Number |
UA @ admin @ c:irua:183268 |
Serial |
7460 |
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Parrilla, M.; Vanhooydonck, A.; Watts, R.; De Wael, K. |
| Title |
Wearable wristband-based electrochemical sensor for the detection of phenylalanine in biofluids |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
Biosensors and bioelectronics |
Abbreviated Journal |
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| Volume |
197 |
Issue |
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Pages |
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A1 Journal article; Engineering sciences. Technology; Product development; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
| Abstract |
Wearable electrochemical sensors are driven by the user-friendly capability of on-site detection of key biomarkers for health management. Despite the advances in biomolecule monitoring such as glucose, still, several unmet clinical challenges need to be addressed. For example, patients suffering from phenylketonuria (PKU) should be able to monitor their phenylalanine (PHE) level in a rapid, decentralized, and affordable manner to avoid high levels of PHE in the body which can lead to a profound and irreversible mental disability. Herein, we report a wearable wristband electrochemical sensor for the monitoring of PHE tackling the necessity of controlling PHE levels in PHE hydroxylase deficiency patients. The proposed electrochemical sensor is based on a screen-printed electrode (SPE) modified with a membrane consisting of Nafion, to avoid interferences in biofluids. The membrane also consists of sodium 1,2-naphthoquinone-4-sulphonate for the in situ derivatization of PHE into an electroactive product, allowing its electrochemical oxidation at the surface of the SPE in alkaline conditions. Importantly, the electrochemical sensor is integrated into a wristband configuration to enhance user interaction and engage the patient with PHE self-monitoring. Besides, a paper-based sampling strategy is designed to alkalinize the real sample without the need for sample pretreatment, and thus simplify the analytical process. Finally, the wearable device is tested for the determination of PHE in saliva and blood serum. The proposed wristband-based sensor is expected to impact the PKU self-monitoring, facilitating the daily lives of PKU patients toward optimal therapy and disease management. |
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Wos |
000719366400003 |
Publication Date |
2021-11-02 |
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Edition |
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| ISSN |
0956-5663 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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no |
| Call Number |
UA @ admin @ c:irua:183086 |
Serial |
8957 |
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Lavor, I.R.; Chaves, A.; Peeters, F.M.; Van Duppen, B. |
| Title |
Tunable coupling of terahertz Dirac plasmons and phonons in transition metal dichalcogenide-based van der Waals heterostructures |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
2d Materials |
Abbreviated Journal |
2D Mater |
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Issue |
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Pages |
015018 |
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A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Dirac plasmons in graphene hybridize with phonons of transition metal dichalcogenides (TMDs) when the materials are combined in so-called van der Waals heterostructures (vdWh), thus forming surface plasmon-phonon polaritons (SPPPs). The extend to which these modes are coupled depends on the TMD composition and structure, but also on the plasmons' properties. By performing realistic simulations that account for the contribution of each layer of the vdWh separately, we calculate how the strength of plasmon-phonon coupling depends on the number and composition of TMD layers, on the graphene Fermi energy and the specific phonon mode. From this, we present a semiclassical theory that is capable of capturing all relevant characteristics of the SPPPs. We find that it is possible to realize both strong and ultra-strong coupling regimes by tuning graphene's Fermi energy and changing TMD layer number. |
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Wos |
000722020100001 |
Publication Date |
2021-11-08 |
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Edition |
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| ISSN |
2053-1583 |
ISBN |
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Additional Links |
UA library record; WoS full record |
| Impact Factor |
6.937 |
Times cited |
1 |
Open Access |
OpenAccess |
| Notes |
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Approved |
Most recent IF: 6.937 |
| Call Number |
UA @ admin @ c:irua:183053 |
Serial |
7036 |
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| Author |
Blidar, A.-M. |
| Title |
The development of sensitive and selective electrochemical methods for the detection of antibiotics |
Type |
Doctoral thesis |
| Year |
2021 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
139 p. |
| Keywords |
Doctoral thesis; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
| Abstract |
The discovery of antibiotics represented one of the greatest breakthroughs in medicine. Their success combined with an increasing intensive use is apparently bound to be also their undoing. This is due to the development of acquired antibiotic resistance, leading to inefficient antibiotherapy and even to the impossibility of treatment and death. The development and spread of antibiotic resistance are fueled by the widespread presence of trace levels of antibiotics residue, in various media, from environment to aliments. One of the solutions is the rigorous monitoring of the levels of antibiotics, which in term requires an almost constant development of new, more accessible analytical methods, especially screening methods, capable of decentralized analysis. In this direction, the electrochemical detection of antibiotics represents a very viable alternative. In this context, the aim of this thesis was to develop new electrochemical methods for the detection of antibiotics by employing and expanding on several strategies, like biomimetic sensors and electrochemical fingerprinting. Five studies were described in this thesis, that can be roughly divided in three categories, based on the analytical strategy employed. The first group is represented by direct electrochemical methods. The second group focuses on the use of biomimetic elements, molecularly imprinted polymers and aptamers. The hyphenation of electrochemical methods with other analytical methods was explored in the last group. In the last study, included in this group, the singlet oxygen-based photoelectrochemical approach was used for the detection of a phenolic antibiotic, rifampicin. The originality of the thesis consists in the testing and development of new approaches to various strategies used in electrochemical detection, revealing new insights in the field of electrochemical detection of antibiotics. The complex electrochemical fingerprint and the mechanism of the electrochemical oxidation were created and investigated, respectively, for the antibiotic vancomycin. New sensitive nanoplatforms were prepared by employing and combining new protocols. Additionally, important contributions were brought through the study involving the singlet oxygen-based detection of rifampicin. We demonstrated how a photocatalyst can exhibit analyte selectivity by strongly interacting with a complex phenolic compound, rifampicin. Summing up, the studies presented in this thesis will have an important impact in the field of electrochemical detection of antibiotics. |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:182955 |
Serial |
7804 |
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Chen, Q.; Guo, A.-M.; Liu, J.; Peeters, F.M.; Sun, Q.-F. |
| Title |
Topological phase transitions and Majorana zero modes in DNA double helix coupled to s-wave superconductors |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
New Journal Of Physics |
Abbreviated Journal |
New J Phys |
| Volume |
23 |
Issue |
9 |
Pages |
093047 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Topological properties of a double-stranded DNA (dsDNA) proximity-coupled by an s-wave superconductor are investigated, in which the energy spectra and the differential conductance are calculated within the framework of tight-binding approximation. Our results indicate that this dsDNA-superconductor system hosts Majorana zero modes (MZMs) when the Zeeman field is perpendicular to the helix axis, whereas no MZM could be observed when the Zeeman field is parallel to the helix axis, in sharp contrast to previous studies on nanowires including single-stranded DNA. In particular, two topological phase transitions could take place in the dsDNA-superconductor system by changing the Zeeman field, one from a topological trivial phase to a topological nontrivial phase with one pair of MZMs in small Zeeman field regime, and the other from a phase with one pair of MZMs to a phase with two pairs of MZMs by further increasing the Zeeman field. In the presence of a gate field normal to the helix axis, the topological nontrivial phase with two pairs of MZMs can transform into the phase with one pair of MZMs. The topological phase with one pair of MZMs is more stable and robust against Anderson disorder. |
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Place of Publication |
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Wos |
000702122000001 |
Publication Date |
2021-09-15 |
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Series Title |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
1367-2630 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.786 |
Times cited |
7 |
Open Access |
OpenAccess |
| Notes |
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Approved |
Most recent IF: 3.786 |
| Call Number |
UA @ admin @ c:irua:182597 |
Serial |
7033 |
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Baral, P.; Orekhov, A.; Dohmen, R.; Coulombier, M.; Raskin, J.P.; Cordier, P.; Idrissi, H.; Pardoen, T. |
| Title |
Rheology of amorphous olivine thin films characterized by nanoindentation |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Acta Materialia |
Abbreviated Journal |
Acta Mater |
| Volume |
219 |
Issue |
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Pages |
117257 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
The rheological properties of amorphous olivine thin films deposited by pulsed laser deposition have been studied based on ambient temperature nanoindentation under constant strain-rate as well as re-laxation conditions. The amorphous olivine films exhibit a viscoelastic-viscoplastic behavior with a significant rate dependency. The strain-rate sensitivity m is equal to similar to 0 . 05 which is very high for silicates, indicating a complex out-of-equilibrium structure. The minimum apparent activation volume determined from nanoindentation experiments corresponds to Mg and Fe atomic metallic sites in the (Mg,Fe)(2)SiO4 crystalline lattice. The ambient temperature creep behavior of the amorphous olivine films differs very much from the one of single crystal olivine. This behavior directly connects to the recent demonstration of the activation of grain boundary sliding in polycrystalline olivine following grain boundary amorphization under high-stress. (C) 2021 The Authors. Published by Elsevier Ltd on behalf of Acta Materialia Inc. |
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Wos |
000706867800004 |
Publication Date |
2021-08-19 |
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Series Issue |
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Edition |
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| ISSN |
1359-6454 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
5.301 |
Times cited |
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Open Access |
OpenAccess |
| Notes |
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Approved |
Most recent IF: 5.301 |
| Call Number |
UA @ admin @ c:irua:182592 |
Serial |
6882 |
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