Home << 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 >> [101–200]
List View
 | 
Citations
 | 
Details
   web
Records
Author Sirotina, A.P.; Callaert, C.; Volykhov, A.A.; Frolov, A.S.; Sanchez-Barriga, J.; Knop-Gericke, A.; Hadermann, J.; Yashina, L.V.
Title Mechanistic studies of gas reactions with multicomponent solids : what can we learn by combining NAP XPS and atomic resolution STEM/EDX? Type A1 Journal article
Year 2019 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 123 Issue 43 Pages 26201-26210
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Rapid development of experimental techniques has enabled real time studies of solid gas reactions at the level reaching the atomic scale. In the present paper, we focus on a combination of atomic resolution STEM/EDX, which visualizes the reaction zone, and near ambient pressure (NAP) XPS, which collects information for a surface layer of variable thickness under reaction conditions. We compare the behavior of two affined topological insulators, Bi2Te3 and Sb2Te3. We used a simple reaction with molecular oxygen occurring at 298 K, which is of practical importance to avoid material degradation. Despite certain limitations, a combination of in situ XPS and ex situ cross-sectional STEM/EDX allowed us to obtain a self-consistent picture of the solid gas reaction mechanism for oxidation of Sb2Te3 and Bi2Te3 crystals, which includes component redistribution between the oxide and the subsurface layer and Te segregation with formation of a thin ordered layer at the interface. The process is multistep in case of both compounds. At the very beginning of the oxidation process the reactivity is determined by the energy benefit of the corresponding element oxygen bond formation. Further in the oxidation process, the behavior of these two compounds becomes similar and features component redistribution between the oxide and the subsurface layer.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000493865700019 Publication Date 2019-10-03
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
Notes Approved Most recent IF: 4.536
Call Number UA @ admin @ c:irua:164664 Serial 6310
Permanent link to this record
 
 
Author Katiyar, K.S.; Lin, A.; Fridman, A.; Keating, C.E.; Cullen, D.K.; Miller, V.
Title Non-thermal plasma accelerates astrocyte regrowth and neurite regeneration following physical trauma in vitro Type A1 Journal article
Year 2019 Publication Applied Sciences Abbreviated Journal Appl Sci-Basel
Volume 9 Issue 18 Pages 3747
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Non-thermal plasma (NTP), defined as a partially ionized gas, is an emerging technology with several biomedical applications, including tissue regeneration. In particular, NTP treatment has been shown to activate endogenous biological processes to promote cell regrowth, differentiation, and proliferation in multiple cell types. However, the effects of this therapy on nervous system regeneration have not yet been established. Accordingly, the current study explored the effects of a nanosecond-pulsed dielectric barrier discharge plasma on neural regeneration. Following mechanical trauma in vitro, plasma was applied either directly to (1) astrocytes alone, (2) neurons alone, or (3) neurons or astrocytes in a non-contact co-culture. Remarkably, we identified NTP treatment intensities that accelerated both neurite regeneration and astrocyte regrowth. In astrocyte cultures alone, an exposure of 20-90 mJ accelerated astrocyte re-growth up to three days post-injury, while neurons required lower treatment intensities (<= 20 mJ) to achieve sub-lethal outgrowth. Following injury to neurons in non-contact co-culture with astrocytes, 20 mJ exposure of plasma to only neurons or astrocytes resulted in increased neurite regeneration at three days post-treatment compared to the untreated, but no enhancement was observed when both cell types were treated. At day seven, although regeneration further increased, NTP did not elicit a significant increase from the control. However, plasma exposure at higher intensities was found to be injurious, underscoring the need to optimize exposure levels. These results suggest that growth-promoting physiological responses may be elicited via properly calibrated NTP treatment to neurons and/or astrocytes. This could be exploited to accelerate neurite re-growth and modulate neuron-astrocyte interactions, thereby hastening nervous system regeneration.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000489115200107 Publication Date 2019-09-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2076-3417 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.679 Times cited 2 Open Access
Notes Approved Most recent IF: 1.679
Call Number UA @ admin @ c:irua:163799 Serial 6312
Permanent link to this record
 
 
Author Khalili, M.; Daniels, L.; Lin, A.; Krebs, F.C.; Snook, A.E.; Bekeschus, S.; Bownel, W.B.; Miller, V.
Title Non-thermal plasma-induced immunogenic cell death in cancer Type A1 Journal article
Year 2019 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
Volume 52 Issue 42 Pages 423001
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Recent advances in biomedical research in cancer immunotherapy have identified the use of an oxidative stress-based approach to treat cancers, which works by inducing immunogenic cell death (ICD) in cancer cells. Since the anti-cancer effects of non-thermal plasma (NTP) are largely attributed to the reactive oxygen and nitrogen species that are delivered to and generated inside the target cancer cells, it is reasonable to postulate that NTP would be an effective modality for ICD induction. NTP treatment of tumors has been shown to destroy cancer cells rapidly and, under specific treatment regimens, this leads to systemic tumorspecific immunity. The translational benefit of NTP for treatment of cancer relies on its ability to enhance the interactions between NTP-exposed minor cells and local immune cells which initiates subsequent protective immune responses. This review discusses results from recent investigations of NTP application to induce ICD in cancer cells. With further optimization of clinical devices and treatment protocols, NTP can become an essential part of the therapeutic armament against cancer.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000479103100001 Publication Date 2019-07-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.588 Times cited 6 Open Access
Notes Approved Most recent IF: 2.588
Call Number UA @ admin @ c:irua:161774 Serial 6313
Permanent link to this record
 
 
Author Jin, B.; Liang, F.; Hu, Z.-Y.; Wei, P.; Liu, K.; Hu, X.; Van Tendeloo, G.; Lin, Z.; Li, H.; Zhou, X.; Xiong, Q.; Zhai, T.
Title Nonlayered CdSe flakes homojunctions Type A1 Journal article
Year 2020 Publication Advanced Functional Materials Abbreviated Journal Adv Funct Mater
Volume 30 Issue 30 Pages 1908902
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract 2D homojunctions have stimulated extensive attention because of their perfect thermal and lattice matches, as well as their tunable band structures in 2D morphology, which provide fascinating opportunities for novel electronics and optoelectronics. Recently, 2D nonlayered materials have attracted the attention of researchers owing to their superior functional applications and diverse portfolio of the 2D family. Therefore, 2D nonlayered homojunctions would open the door to a rich spectrum of exotic 2D materials. However, they are not investigated due to their extremely difficult synthesis methods. Herein, nonlayered CdSe flakes homojunctions are obtained via self-limited growth with InCl3 as a passivation agent. Interestingly, two pieces of vertical wurtzite-zinc blende (WZ-ZB) homojunctions epitaxially integrate into WZ/ZB lateral junctions. These homojunctions show a divergent second-harmonic generation intensity, strongly correlated to the multiple twinned ZB phase, as identified by aberration-corrected scanning transmission electron microscopy and theoretical calculations. Impressively, the photodetector based on this WZ/ZB CdSe homojunction shows excellent performances, integrating a high photoswitching ratio (3.4 x 10(5)) and photoresponsivity (3.7 x 10(3) A W-1), suggesting promising potential for applications in electronics and optoelectronics.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000508624800001 Publication Date 2020-01-23
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 19 Times cited 8 Open Access Not_Open_Access
Notes ; This work was supported by the National Natural Science Foundation of China (Grant Nos. 21825103, 51727809, and 51802103), the Hubei Provincial Natural Science Foundation of China (2019CFA002), and the Fundamental Research Funds for the Central Universities (HUST: 2019kfyXMBZ018; WUT: 2019III012GX). Here the authors also thank the support from Analytical and Testing Center in HUST and the State Key Laboratory of Silicate Materials for Architectures in WUT. ; Approved Most recent IF: 19; 2020 IF: 12.124
Call Number UA @ admin @ c:irua:165654 Serial 6314
Permanent link to this record
 
 
Author Anđelković, M.
Title O(N) numerical methods for investigating graphene heterostructures and moiré patterns Type Doctoral thesis
Year 2019 Publication Abbreviated Journal
Volume Issue Pages 207 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (up) 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:165205 Serial 6315
Permanent link to this record
 
 
Author Wang, J.; Nguyen, M.D.; Gauquelin, N.; Verbeeck, J.; Do, M.T.; Koster, G.; Rijnders, G.; Houwman, E.
Title On the importance of the work function and electron carrier density of oxide electrodes for the functional properties of ferroelectric capacitors Type A1 Journal article
Year 2020 Publication Physica Status Solidi-Rapid Research Letters Abbreviated Journal Phys Status Solidi-R
Volume 14 Issue 14 Pages 1900520
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract It is important to understand the effect of the interfaces between the oxide electrode layers and the ferroelectric layer on the polarization response for optimizing the device performance of all-oxide ferroelectric devices. Herein, the effects of the oxide La0.07Ba0.93SnO3 (LBSO) as an electrode material in an PbZr0.52Ti0.48O3 (PZT) ferroelectric capacitor are compared with those of the more commonly used SrRuO3 (SRO) electrode. SRO (top)/PZT/SRO (bottom), SRO/PZT/LBSO, and SRO/PZT/2 nm SRO/LBSO devices are fabricated. Only marginal differences in crystalline properties, determined by X-ray diffraction and scanning transmission electron microscopy, are found. High-quality polarization loops are obtained, but with a much larger coercive field for the SRO/PZT/LBSO device. In contrast to the SRO/PZT/SRO device, the polarization decreases strongly with increasing field cycling. This fatigue problem can be remedied by inserting a 2 nm SRO layer between PZT and LBSO. It is argued that strongly increased charge injection into the PZT occurs at the bottom interface, because of the low PZT/LBSO interfacial barrier and the much lower carrier density in LBSO, as compared with that in SRO, causing a low dielectric constant, depleted layer in LBSO. The charge injection creates a trapped space charge in the PZT, causing the difference in fatigue behavior.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000506195600001 Publication Date 2019-12-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1862-6254 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.8 Times cited 6 Open Access OpenAccess
Notes ; This work was supported by Nederlandse Organisatie voor Wetenschappelijk Onderzoek through grant no.13HTSM01. ; Approved Most recent IF: 2.8; 2020 IF: 3.032
Call Number UA @ admin @ c:irua:165681 Serial 6316
Permanent link to this record
 
 
Author Xue, C.; He, A.; Milošević, M.V.; Silhanek, A., V; Zhou, Y.-H.
Title Open circuit voltage generated by dragging superconducting vortices with a dynamic pinning potential Type A1 Journal article
Year 2019 Publication New journal of physics Abbreviated Journal New J Phys
Volume 21 Issue 11 Pages 113044
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We theoretically investigate, through Ginzburg?Landau simulations, the possibility to induce an open circuit voltage in absence of applied current, by dragging superconducting vortices with a dynamic pinning array as for instance that created by a nearby sliding vortex lattice or moving laser spots. Different dynamic regimes, such as synchronous vortex motion or dynamic vortex chains consisting of laggard vortices, can be observed by varying the velocity of the sliding pinning potential and the applied magnetic field. Additionally, due to the edge barrier, significantly different induced voltage is found depending on whether the vortices are dragged along the superconducting strip or perpendicular to the lateral edges. The output voltage in the proposed mesoscopic superconducting dynamo can be tuned by varying size, density and directions of the sliding pinning potential.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000498853700001 Publication Date 2019-11-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1367-2630 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.786 Times cited 6 Open Access
Notes Approved Most recent IF: 3.786
Call Number UA @ admin @ c:irua:165158 Serial 6317
Permanent link to this record
 
 
Author Zhou, R.; Zhou, R.; Xian, Y.; Fang, Z.; Lu, X.; Bazaka, K.; Bogaerts, A.; Ostrikov, K.(K.)
Title Plasma-enabled catalyst-free conversion of ethanol to hydrogen gas and carbon dots near room temperature Type A1 Journal article
Year 2020 Publication Chemical Engineering Journal Abbreviated Journal Chem Eng J
Volume 382 Issue 382 Pages 122745
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Selective conversion of bio-renewable ethanol under mild conditions especially at room temperature remains a major challenge for sustainable production of hydrogen and valuable carbon-based materials. In this study, adaptive non-thermal plasma is applied to deliver pulsed energy to rapidly and selectively reform ethanol in the absence of a catalyst. Importantly, the carbon atoms in ethanol that would otherwise be released into the environment in the form of CO or CO2 are effectively captured in the form of carbon dots (CDs). Three modes of non-thermal spark plasma discharges, i.e. single spark mode (SSM), multiple spark mode (MSM) and gliding spark mode (GSM), provide additional flexibility in ethanol reforming by controlling the processes of energy transfer and distribution, thereby affecting the flow rate, gas content, and energy consumption in H-2 production. A favourable combination of low temperature (< 40 degrees C), attractive conversion rate (gas flow rate of similar to 120 mL/min), high hydrogen yield (H-2 content > 90%), low energy consumption (similar to 0.96 kWh/m(3) H-2) and the effective generation of photoluminescent CDs (which are applicable for bioimaging or biolabelling) in the MSM indicate that the proposed strategy may offer a new carbon-negative avenue for comprehensive utilization of alcohols and mitigating the increasingly severe energy and environmental issues.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000503381200200 Publication Date 2019-09-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1385-8947; 1873-3212 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 15.1 Times cited 20 Open Access
Notes ; ; Approved Most recent IF: 15.1; 2020 IF: 6.216
Call Number UA @ admin @ c:irua:165648 Serial 6318
Permanent link to this record
 
 
Author Heirman, P.; Van Boxem, W.; Bogaerts, A.
Title Reactivity and stability of plasma-generated oxygen and nitrogen species in buffered water solution: a computational study Type A1 Journal article
Year 2019 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 21 Issue 24 Pages 12881-12894
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Plasma-treated liquids have great potential for biomedical applications. However, insight into the underlying mechanisms and the exact chemistry is still scarce. In this study, we present the combination of a 0D chemical kinetics and a 2D fluid dynamics model to investigate the plasma treatment of a buffered water solution with the kINPen (R) plasma jet. Using this model, we calculated the gas and liquid flow profiles and the transport and chemistry of all species in the gas and the liquid phase. Moreover, we evaluated the stability of the reactive oxygen and nitrogen species after plasma treatment. We found that of all species, only H2O2, HNO2/NO2-, and HNO3/NO3- are stable in the buffered solution after plasma treatment. This is because both their production and loss processes in the liquid phase are dependent on short-lived radicals (e.g. OH, NO, and NO2). Apart from some discrepancy in the absolute values of the concentrations, which can be explained by the model, all general trends and observations in our model are in qualitative agreement with experimental data and literature.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000472214000012 Publication Date 2019-05-29
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
Call Number UA @ admin @ c:irua:161314 Serial 6320
Permanent link to this record
 
 
Author Leuthner, G.T.; Hummel, S.; Mangler, C.; Pennycook, T.J.; Susi, T.; Meyer, J.C.; Kotakoski, J.
Title Scanning transmission electron microscopy under controlled low-pressure atmospheres Type A1 Journal article
Year 2019 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 203 Issue 203 Pages 76-81
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Transmission electron microscopy (TEM) is carried out in vacuum to minimize the interaction of the imaging electrons with gas molecules while passing through the microscope column. Nevertheless, in typical devices, the pressure remains at 10(-7) mbar or above, providing a large number of gas molecules for the electron beam to crack, which can lead to structural changes in the sample. Here, we describe experiments carried out in a modified scanning TEM (STEM) instrument, based on the Nion UltraSTEM 100. In this instrument, the base pressure at the sample is around 2 x 10(-10 )mbar, and can be varied up to 10(-6) mbar through introduction of gases directly into the objective area while maintaining atomic resolution imaging conditions. We show that air leaked into the microscope column during the experiment is efficient in cleaning graphene samples from contamination, but ineffective in damaging the pristine lattice. Our experiments also show that exposure to O(2 )and H2O lead to a similar result, oxygen providing an etching effect nearly twice as efficient as water, presumably due to the two 0 atoms per molecule. H(2 )and N-2 environments have no influence on etching. These results show that the residual gas environment in typical TEM instruments can have a large influence on the observations, and show that chemical etching of carbon-based structures can be effectively carried out with oxygen.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000465021000010 Publication Date 2019-02-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.843 Times cited 4 Open Access
Notes Approved Most recent IF: 2.843
Call Number UA @ admin @ c:irua:165937 Serial 6321
Permanent link to this record
 
 
Author Chuon, S.
Title Simulation numérique multi-échelles du procédé de dépôt par pulvérisation cathodique magnétron Type Doctoral thesis
Year 2019 Publication Abbreviated Journal
Volume Issue Pages 137 p.
Keywords Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (up) 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:166091 Serial 6322
Permanent link to this record
 
 
Author Ozcan, M.; Ozen, S.; Yagmurcukardes, M.; Sahin, H.
Title Structural, electronic and vibrational properties of ultra-thin octahedrally coordinated structure of EuO2 Type A1 Journal article
Year 2020 Publication Journal Of Magnetism And Magnetic Materials Abbreviated Journal J Magn Magn Mater
Volume 493 Issue 493 Pages 165668
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Novel stable ultra-thin phases of europium oxide are investigated by means of state-of-the-art first principles calculations. Total energy calculations show that single layers of EuO2 and Eu(OH)(2) can be stabilized in an octahedrally coordinated (1T) atomic structure. However, phonon calculations reveal that although both structures are energetically feasible, only the 1T-EuO2 phase has dynamical stability. The phonon spectrum of 1T-EuO2 displays three Raman active modes; a non-degenerate out-of-plane A(1g) mode at 353.5 cm(-1) and two doubly-degenerate in-plane E-g modes at 304.3 cm(-1). Furthermore, magnetic ground state and electronic band dispersion calculations show that the single layer EuO2 is a metal with net magnetic moment of 5(mu B) per unitcell resulting in a half-metallic ferrimagnetic behavior. Moreover, robustness of the half-metallic ferrimagnetic characteristics of EuO2 is confirmed by the application of electric field and charging. Single layer 1T-EuO2, with its stable ultra-thin structure and half-metallic ferrimagnetic feature, is a promising novel material for nanoscale electronic and spintronic applications.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000486397800003 Publication Date 2019-08-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-8853 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.7 Times cited 1 Open Access
Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). HS acknowledges financial support from the TUBITAK under the project number 117F095. MY is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship. ; Approved Most recent IF: 2.7; 2020 IF: 2.63
Call Number UA @ admin @ c:irua:162755 Serial 6323
Permanent link to this record
 
 
Author Sun, J.-Y.; Wen, D.-Q.; Zhang, Q.-Z.; Liu, Y.-X.; Wang, Y.-N.
Title The effects of electron surface interactions in geometrically symmetric capacitive RF plasmas in the presence of different electrode surface materials Type A1 Journal article
Year 2019 Publication Physics of plasmas Abbreviated Journal Phys Plasmas
Volume 26 Issue 6 Pages 063505
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Particle-in-cell/Monte Carlo collision (PIC/MCC) simulations are performed to investigate the asymmetric secondary electron emission (SEE) effects when electrons strike two different material electrodes in low pressure capacitively coupled plasmas (CCPs). To describe the electron-surface interactions, a realistic model, considering the primary electron impact energy and angle, as well as the corresponding surface property-dependent secondary electron yields, is employed in PIC/MCC simulations. In this model, three kinds of electrons emitted from the surface are considered: (i) elastically reflected electrons, (ii) inelastically backscattered electrons, and (iii) electron induced secondary electrons (SEs, i.e., delta-electrons). Here, we examined the effects of electron-surface interactions on the ionization dynamics and plasma characteristics of an argon discharge. The discharge is driven by a voltage source of 13.56MHz with amplitudes in the range of 200-2000V. The grounded electrode material is copper (Cu) for all cases, while the powered electrode material is either Cu or silicon dioxide (SiO2). The simulations reveal that the electron impact-induced SEE is an essential process at low pressures, especially at high voltages. Different electrode materials result in an asymmetric response of SEE. Depending on the instantaneous local sheath potential and the phase of the SEE, these SEs either are reflected by the opposite sheath or strike the electrode surface, where they can induce delta-electrons upon their residual energies. It is shown that highly energetic delta-electrons contribute significantly to the ionization rate and a self-bias forms when the powered electrode material is assumed to be made of SiO2. Complex dynamics is observed due to the multiple electron-surface interaction processes and asymmetric yields of SEs in CCPs.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000474440600043 Publication Date 2019-06-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1070-664x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.115 Times cited 1 Open Access
Notes Approved Most recent IF: 2.115
Call Number UA @ admin @ c:irua:161353 Serial 6327
Permanent link to this record
 
 
Author Bafekry, A.; Shayesteh, S.F.; Ghergherehchi, M.; Peeters, F.M.
Title Tuning the bandgap and introducing magnetism into monolayer BC3 by strain/defect engineering and adatom/molecule adsorption Type A1 Journal article
Year 2019 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 126 Issue 14 Pages 144304
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using first-principles calculations, we study the structural, electronic, and optical properties of pristine BC3. Our results show that BC3 is a semiconductor which can be useful in optoelectronic device applications. Furthermore, we found that the electronic properties of BC3 can be modified by strain and the type of edge states. With increasing thickness, the indirect bandgap decreases from 0.7 eV (monolayer) to 0.27 eV (bulk). Upon uniaxial tensile strain along the armchair and zigzag directions, the bandgap slightly decreases, and with increasing uniaxial strain, the bandgap decreases, and when reaching -8%, a semiconductor-to-metal transition occurs. By contrast, under biaxial strain, the bandgap increases to 1.2 eV in +8% and decreases to zero in -8%. BC3 nanoribbons with different widths exhibit magnetism at the zigzag edges, while, at the armchair edges, they become semiconductor, and the bandgap is in the range of 1.0-1.2 eV. Moreover, we systematically investigated the effects of adatoms/molecule adsorption and defects on the structural, electronic, and magnetic properties of BC3. The adsorption of various adatoms and molecules as well as topological defects (vacancies and Stone-Wales defects) can modify the electronic properties. Using these methods, one can tune BC3 into a metal, half-metal, ferromagnetic-metal, and dilute-magnetic semiconductor or preserve its semiconducting character. Published under license by AIP Publishing.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000503995300019 Publication Date 2019-10-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 48 Open Access
Notes Approved Most recent IF: 2.068
Call Number UA @ admin @ c:irua:165160 Serial 6328
Permanent link to this record
 
 
Author Bafekry, A.; Shayesteh, S.F.; Peeters, F.M.
Title Two-dimensional carbon nitride (2DCN) nanosheets : tuning of novel electronic and magnetic properties by hydrogenation, atom substitution and defect engineering Type A1 Journal article
Year 2019 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 126 Issue 21 Pages 215104
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract By employing first-principles calculations within the framework of density functional theory, we investigated the structural, electronic, and magnetic properties of graphene and various two-dimensional carbon-nitride (2DNC) nanosheets. The different 2DCN gives rise to diverse electronic properties such as metals (C3N2), semimetals (C4N and C9N4), half-metals (C4N3), ferromagnetic-metals (C9N7), semiconductors (C2N, C3N, C3N4, C6N6, and C6N8), spin-glass semiconductors (C10N9 and C14N12), and insulators (C2N2). Furthermore, the effects of adsorption and substitution of hydrogen atoms as well as N-vacancy defects on the electronic and magnetic properties are systematically studied. The introduction of point defects, including N vacancies, interstitial H impurity into graphene and different 2DCN crystals, results in very different band structures. Defect engineering leads to the discovery of potentially exotic properties that make 2DCN interesting for future investigations and emerging technological applications with precisely tailored properties. These properties can be useful for applications in various fields such as catalysis, energy storage, nanoelectronic devices, spintronics, optoelectronics, and nanosensors. Published under license by AIP Publishing.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000504007300023 Publication Date 2019-12-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 57 Open Access
Notes Approved Most recent IF: 2.068
Call Number UA @ admin @ c:irua:165733 Serial 6329
Permanent link to this record
 
 
Author Gonzalez-Garcia, A.; Lopez-Perez, W.; Gonzalez-Hernandez, R.; Rivera-Julio, J.; Espejo, C.; Milošević, M.V.; Peeters, F.M.
Title Two-dimensional hydrogenated buckled gallium arsenide: an ab initio study Type A1 Journal article
Year 2020 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat
Volume 32 Issue 14 Pages 145502
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract First-principles calculations have been carried out to investigate the stability, structural and electronic properties of two-dimensional (2D) hydrogenated GaAs with three possible geometries: chair, zigzag-line and boat configurations. The effect of van der Waals interactions on 2D H-GaAs systems has also been studied. These configurations were found to be energetic and dynamic stable, as well as having a semiconducting character. Although 2D GaAs adsorbed with H tends to form a zigzag-line configuration, the energy differences between chair, zigzag-line and boat are very small which implies the metastability of the system. Chair and boat configurations display a – direct bandgap nature, while pristine 2D-GaAs and zigzag-line are indirect semiconductors. The bandgap sizes of all configurations are also hydrogen dependent, and wider than that of pristine 2D-GaAs with both PBE and HSE functionals. Even though DFT-vdW interactions increase the adsorption energies and reduce the equilibrium distances of H-GaAs systems, it presents, qualitatively, the same physical results on the stability and electronic properties of our studied systems with PBE functional. According to our results, 2D buckled gallium arsenide is a good candidate to be synthesized by hydrogen surface passivation as its group III-V partners 2D buckled gallium nitride and boron nitride. The hydrogenation of 2D-GaAs tunes the bandgap of pristine 2D-GaAs, which makes it a potential candidate for optoelectronic applications in the blue and violet ranges of the visible electromagnetic spectrum.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000507894400001 Publication Date 2019-12-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record
Impact Factor 2.7 Times cited Open Access
Notes ; This work has been carried out by the financial support of Universidad del Norte and Colciencias (Administrative Department of Science, Technology and Research of Colombia) under Convocatoria 712-Convocatoria para proyectos de investigacion en Ciencias Basicas, ano 2015, Cod: 121571250192, Contrato 110-216. The authors gratefully acknowledge the support from the High Performance Computing core facility CalcUA and the TOPBOF project at the University of Antwerp, Belgium; and the computing time granted on the supercomputer Mogon at Johannes Gutenberg University Mainz (hpc.uni-mainz.de). ; Approved Most recent IF: 2.7; 2020 IF: 2.649
Call Number UA @ admin @ c:irua:165644 Serial 6330
Permanent link to this record
 
 
Author Pittarello, L.; Mckibbin, S.; Yamaguchi, A.; Ji, G.; Schryvers, D.; Debaille, V.; Claeys, P.
Title Two generations of exsolution lamellae in pyroxene from Asuka 09545 : Clues to the thermal evolution of silicates in mesosiderite Type A1 Journal article
Year 2019 Publication The American mineralogist Abbreviated Journal Am Mineral
Volume 104 Issue 11 Pages 1663-1672
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Mesosiderite meteorites consist of a mixture of crustal basaltic or gabbroic material and metal. Their formation process is still debated due to their unexpected combination of crust and core materials, possibly derived from the same planetesimal parent body, and lacking an intervening mantle component. Mesosiderites have experienced an extremely slow cooling rate from ca. 550 degrees C, as recorded in the metal (0.25-0.5 degrees C/Ma). Here we present a detailed investigation of exsolution features in pyroxene from the Antarctic mesosiderite Asuka (A) 09545. Geothermobarometry calculations, lattice parameters, lamellae orientation, and the presence of clinoenstatite as the host were used in an attempt to constrain the evolution of pyroxene from 1150 to 570 degrees C and the formation of two generations of exsolution lamellae. After pigeonite crystallization at ca. 1150 degrees C, the first exsolution process generated the thick augite lamellae along (100) in the temperature interval 1000-900 degrees C. By further cooling, a second order of exsolution lamellae formed within augite along (001), consisting of monoclinic low-Ca pyroxene, equilibrated in the temperature range 900-800 degrees C. The last process, occurring in the 600-500 degrees C temperature range, was likely the inversion of high to low pigeonite in the host crystal, lacking evidence for nucleation of orthopyroxene. The formation of two generations of exsolution lamellae, as well as of likely metastable pigeonite, suggest non-equilibrium conditions. Cooling was sufficiently slow to allow the formation of the lamellae, their preservation, and the transition from high to low pigeonite. In addition, the preservation of such fine-grained lamellae limits long-lasting, impact reheating to a peak temperature lower than 570 degrees C. These features, including the presence of monoclinic low-Ca pyroxene as the host, are reported in only a few mesosiderites. This suggests a possibly different origin and thermal history from most mesosiderites and that the crystallography (i.e., space group) of low-Ca pyroxene could be used as parameter to distinguish mesosiderite populations based on their cooling history.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000494707400014 Publication Date 2019-08-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-004x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.021 Times cited Open Access
Notes Approved Most recent IF: 2.021
Call Number UA @ admin @ c:irua:164645 Serial 6331
Permanent link to this record
 
 
Author Eren, I.; Ozen, S.; Sozen, Y.; Yagmurcukardes, M.; Sahin, H.
Title Vertical van der Waals heterostructure of single layer InSe and SiGe Type A1 Journal article
Year 2019 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 123 Issue 51 Pages 31232-31237
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract We present a first-principles investigation on the stability, electronic structure, and mechanical response of ultrathin heterostructures composed of single layers of InSe and SiGe. First, by performing total energy optimization and phonon calculations, we show that single layers of InSe and SiGe can form dynamically stable heterostructures in 12 different stacking types. Valence and conduction band edges of the heterobilayers form a type-I heterojunction having a tiny band gap ranging between 0.09 and 0.48 eV. Calculations on elastic-stiffness tensor reveal that two mechanically soft single layers form a heterostructure which is stiffer than the constituent layers because of relatively strong interlayer interaction. Moreover, phonon analysis shows that the bilayer heterostructure has highly Raman active modes at 205.3 and 43.7 cm(-1), stemming from the out-of-plane interlayer mode and layer breathing mode, respectively. Our results show that, as a stable type-I heterojunction, ultrathin heterobilayer of InSe/SiGe holds promise for nanoscale device applications.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000505632900050 Publication Date 2019-12-03
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
Notes Approved Most recent IF: 4.536
Call Number UA @ admin @ c:irua:165718 Serial 6332
Permanent link to this record
 
 
Author Lefrancois, P.; Girard-Sahun, F.; Badets, V.; Clement, F.; Arbault, S.
Title Electroactivity of superoxide anion in aqueous phosphate buffers analyzed with platinized microelectrodes Type A1 Journal article
Year 2020 Publication Electroanalysis Abbreviated Journal Electroanal
Volume Issue Pages
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The reactivity of platinized ultramicroelectrodes (Pt-black UMEs) towards superoxide anion O-2(.-), an unstable Reactive Oxygen Species (ROS), and its relatives, H2O2 and O-2, was studied. Voltammetric studies in PBS demonstrate that Pt-black UMEs provide: i) a well-resolved reversible redox signature for O-2(.-) detected in both alkaline and physiological buffers (pH 12 and 7.4); ii) irreversible oxidation and reduction waves for H2O2 at pH 7.4. The oxygen reduction reaction (ORR) at Pt-black surfaces solely yields H2O2 (2 electrons/2 H+) at physiological pH. Consequently, Pt-black UMEs allow to sense different ROS including superoxide anion for future biomedical or physico-chemical investigations.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000590291800001 Publication Date 2020-11-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1040-0397 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3 Times cited Open Access
Notes Approved Most recent IF: 3; 2020 IF: 2.851
Call Number UA @ admin @ c:irua:174264 Serial 6764
Permanent link to this record
 
 
Author Bafekry, A.; Stampfl, C.; Ghergherehchi, M.
Title Strain, electric-field and functionalization induced widely tunable electronic properties in MoS2/BC3, /C3N and / C3N4 van der Waals heterostructures Type A1 Journal article
Year 2020 Publication Nanotechnology (Bristol. Print) Abbreviated Journal
Volume Issue Pages 295202 pp
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract In this paper, the effect of BC3, C3N and C3N4BC(3) and MoS2/C(3)N4 heterostructures are direct semiconductors with band gaps of 0.4 and 1.74 eV, respectively, while MoS2/C3N is a metal. Furthermore, the influence of strain and electric field on the electronic structure of these van der Waals heterostructures is investigated. The MoS2/BC3 heterostructure, for strains larger than -4%, transforms it into a metal where the metallic character is maintained for strains larger than -6%. The band gap decreases with increasing strain to 0.35 eV (at +2%), while for strain (>+6%) a direct-indirect band gap transition is predicted to occur. For the MoS2/C3N heterostructure, the metallic character persists for all strains considered. On applying an electric field, the electronic properties of MoS2/C3N4 are modified and its band gap decreases as the electric field increases. Interestingly, the band gap reaches 30 meV at +0.8 V/angstrom, and with increase above +0.8 V/angstrom, a semiconductor-to-metal transition occurs. Furthermore, we investigated effects of semi- and full-hydrogenation of MoS2/C3N and we found that it leads to a metallic and semiconducting character, respectively.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000532366000001 Publication Date 2020-04-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN 0957-4484 Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 19 Open Access
Notes ; This work has supported by the National Research Foundation of Korea(NRF) grant funded by the Korea government(MSIT)(NRF-2017R1A2B2011989). ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:169523 Serial 6444
Permanent link to this record
 
 
Author Vanherck, J.; Bacaksiz, C.; Sorée, B.; Milošević, M.V.; Magnus, W.
Title 2D ferromagnetism at finite temperatures under quantum scrutiny Type A1 Journal article
Year 2020 Publication Applied Physics Letters Abbreviated Journal Appl Phys Lett
Volume 117 Issue 5 Pages 052401
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Recent years have seen a tremendous rise of two-dimensional (2D) magnetic materials, several of which were verified experimentally. However, most of the theoretical predictions to date rely on ab initio methods, at zero temperature and fluctuation-free, while one certainly expects detrimental quantum fluctuations at finite temperatures. Here, we present the solution of the quantum Heisenberg model for honeycomb/hexagonal lattices with anisotropic exchange interaction up to third nearest neighbors and in an applied field in arbitrary direction, which answers the question whether long-range magnetization can indeed survive in the ultrathin limit of materials, up to which temperature, and what the characteristic excitation (magnon) frequencies are, all essential to envisaged applications of magnetic 2D materials. We find that long-range magnetic order persists at finite temperature for materials with overall easy-axis anisotropy. We validate the calculations on the examples of monolayers CrI3, CrBr3, and MnSe2. Moreover, we provide an easy-to-use tool to calculate Curie temperatures of new 2D computational materials.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000559330100001 Publication Date 2020-08-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; 1077-3118 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4 Times cited 8 Open Access
Notes ; This work was supported by the Research Foundation-Flanders (FWO) and the special research funds of the University of Antwerp (BOF-UA). ; Approved Most recent IF: 4; 2020 IF: 3.411
Call Number UA @ admin @ c:irua:171176 Serial 6445
Permanent link to this record
 
 
Author Demuynck, R.; Efimova, I.; Lin, A.; Declercq, H.; Krysko, D.V.
Title A 3D cell death assay to quantitatively determine ferroptosis in spheroids Type A1 Journal article
Year 2020 Publication Cells Abbreviated Journal
Volume 9 Issue 3 Pages 703-713
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The failure of drug efficacy in clinical trials remains a big issue in cancer research. This is largely due to the limitations of two-dimensional (2D) cell cultures, the most used tool in drug screening. Nowadays, three-dimensional (3D) cultures, including spheroids, are acknowledged to be a better model of the in vivo environment, but detailed cell death assays for 3D cultures (including those for ferroptosis) are scarce. In this work, we show that a new cell death analysis method, named 3D Cell Death Assay (3DELTA), can efficiently determine different cell death types including ferroptosis and quantitatively assess cell death in tumour spheroids. Our method uses Sytox dyes as a cell death marker and Triton X-100, which efficiently permeabilizes all cells in spheroids, was used to establish 100% cell death. After optimization of Sytox concentration, Triton X-100 concentration and timing, we showed that the 3DELTA method was able to detect signals from all cells without the need to disaggregate spheroids. Moreover, in this work we demonstrated that 2D experiments cannot be extrapolated to 3D cultures as 3D cultures are less sensitive to cell death induction. In conclusion, 3DELTA is a more cost-effective way to identify and measure cell death type in 3D cultures, including spheroids.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000529337400180 Publication Date 2020-03-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2073-4409 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 5 Open Access
Notes ; Research in the D.V.K. group is supported by Fund for Scientific Research Flanders (1506218N, 1507118N, G051918N and G043219N) and Ghent University (Special Research Fund IOP 01/O3618). ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:167215 Serial 6446
Permanent link to this record
 
 
Author Khanam, A.; Vohra, A.; Slotte, J.; Makkonen, I.; Loo, R.; Pourtois, G.; Vandervorst, W.
Title A demonstration of donor passivation through direct formation of V-As-i complexes in As-doped Ge1-XSnx Type A1 Journal article
Year 2020 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys
Volume 127 Issue 19 Pages 195703
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Positron annihilation spectroscopy in the Doppler and coincidence Doppler mode was applied on Ge1 xSnx epitaxial layers, grown by chemical vapor deposition with different total As concentrations (1019-1021 cm3), high active As concentrations (1019 cm3), and similar Sn concentrations (5.9%-6.4%). Positron traps are identified as mono-vacancy complexes. Vacancy-As complexes, V-Asi, formed during the growth were studied to deepen the understanding of the electrical passivation of the Ge1 xSnx:As epilayers. Larger monovacancy complexes, V-Asi (i 2), are formed as the As doping increases. The total As concentration shows a significant impact on the saturation of the number of As atoms (i 1/4 4) around the vacancies in the sample epilayers. The presence of V-Asi complexes decreases the dopant activation in the Ge1 xSnx:As epilayers. Furthermore, the presence of Sn failed to hinder the formation of larger V-Asi complexes and thus failed to reduce the donor-deactivation.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000536196000003 Publication Date 2020-05-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.2 Times cited Open Access
Notes ; ; Approved Most recent IF: 3.2; 2020 IF: 2.068
Call Number UA @ admin @ c:irua:170252 Serial 6447
Permanent link to this record
 
 
Author Sabani, D.; Bacaksiz, C.; Milošević, M.V.
Title Ab initio methodology for magnetic exchange parameters: Generic four-state energy mapping onto a Heisenberg spin Hamiltonian Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 102 Issue 1 Pages 014457-14458
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The recent development in the field of two-dimensional magnetic materials urges reliable theoretical methodology for determination of magnetic properties. Among the available methods, ab initio four-state energy mapping based on density functional theory stands out as a powerful technique to calculate the magnetic exchange interaction in the Heisenberg spin model. Although the required formulas were explained in earlier works, the considered Hamiltonian in those studies always corresponded to the specific case that the off-diagonal part of J matrix is antisymmetric, which may be misleading in other cases. Therefore, using the most general form of the Heisenberg spin Hamiltonian, we here derive the generic formulas. With a proper choice of four different magnetic states, a single formula governs all elements of the exchange interaction matrix for any considered pair of spin sites.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000554409500002 Publication Date 2020-07-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 13 Open Access
Notes ; This work was supported by the Research Foundation-Flanders (FWO-Vlaanderen) and the Special Research Funds of the University of Antwerp (TOPBOF). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation-Flanders (FWO-Vlaanderen) and the Flemish Government, Department EWI. ; Approved Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:171203 Serial 6448
Permanent link to this record
 
 
Author Vandekerckhove, T.G.L.; Props, R.; Carvajal-Arroyo, J.M.; Boon, N.; Vlaeminck, S.E.
Title Adaptation and characterization of thermophilic anammox in bioreactors Type A1 Journal article
Year 2020 Publication Water Research Abbreviated Journal Water Res
Volume 172 Issue Pages 115462
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Anammox, the oxidation of ammonium with nitrite, is a key microbial process in the nitrogen cycle. Under mesophilic conditions (below 40 °C), it is widely implemented to remove nitrogen from wastewaters lacking organic carbon. Despite evidence of the presence of anammox bacteria in high-temperature environments, reports on the cultivation of thermophilic anammox bacteria are limited to a short-term experiment of 2 weeks. This study showcases the adaptation of a mesophilic inoculum to thermophilic conditions, and its characterization. First, an attached growth technology was chosen to obtain the process. In an anoxic fixed-bed biofilm bioreactor (FBBR), a slow linear temperature increase from 38 to over 48 °C (0.05–0.07 °C d−1) was imposed to the community over 220 days, after which the reactor was operated at 48 °C for over 200 days. Maximum total nitrogen removal rates reached up to 0.62 g N L−1 d−1. Given this promising performance, a suspended growth system was tested. The obtained enrichment culture served as inoculum for membrane bioreactors (MBR) operated at 50 °C, reaching a maximum total nitrogen removal rate of 1.7 g N L−1 d−1 after 35 days. The biomass in the MBR had a maximum specific anammox activity of 1.1 ± 0.1 g NH4+-N g−1 VSS d−1, and the growth rate was estimated at 0.075–0.19 d−1. The thermophilic cultures displayed nitrogen stoichiometry ratios typical for mesophilic anammox: 0.93–1.42 g NO2--Nremoved g−1 NH4+-Nremoved and 0.16–0.35 g NO3--Nproduced g−1 NH4+-Nremoved. Amplicon and Sanger sequencing of the 16S rRNA genes revealed a disappearance of the original “Ca. Brocadia” and “Ca. Jettenia” taxa, yielding Planctomycetes members with only 94–95% similarity to “Ca. Brocadia anammoxidans” and “Ca. B. caroliniensis”, accounting for 45% of the bacterial FBBR community. The long-term operation of thermophilic anammox reactors and snapshot views on the nitrogen stoichiometry, kinetics and microbial community open up the development path of thermophilic partial nitritation/anammox. A first economic assessment highlighted that treatment of sludge reject water from thermophilic anaerobic digestion of sewage sludge may become attractive.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000517663600014 Publication Date 2020-01-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0043-1354 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.8 Times cited 5 Open Access
Notes ; The authors acknowledge (i) the Agency for Innovation by Science and Technology (IWT Flanders) [grant number SB-141205] for funding T.G.L.V., (ii) Ghent University (BOFDOC2015000601) and the Belgian Nuclear Research Centre (SCK.CEN) for funding R.P., (iii) Bart De Gusseme from Farys/UGent for providing the hollow fiber membranes, (iv) Tim Lacoere for performing the DNA extraction and data processing of the Sanger sequencing and 16S rRNA gene amplicon sequencing data, (v) Tim Hendrickx from Paques BV for providing the inoculum, (vi) Bert Bundervoet and Wim Groen in 't Woud from Colsen for the valuable input on the economic assessment and (vii) Joop Colsen, Stijn Van Hulle, Mark Van Loosdrecht, Erik Smolders and Leen De Gelder for their constructive discussions on this work. ; Approved Most recent IF: 12.8; 2020 IF: 6.942
Call Number UA @ admin @ c:irua:165392 Serial 6449
Permanent link to this record
 
 
Author Paulus, A.; Hendrickx, M.; Bercx, M.; Karakulina, O.M.; Kirsanova, M.A.; Lamoen, D.; Hadermann, J.; Abakumov, A.M.; Van Bael, M.K.; Hardy, A.
Title An in-depth study of Sn substitution in Li-rich/Mn-rich NMC as a cathode material for Li-ion batteries Type A1 Journal article
Year 2020 Publication Journal of the Chemical Society : Dalton transactions Abbreviated Journal
Volume 49 Issue 30 Pages 10486-10497
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Layered Li-rich/Mn-rich NMC (LMR-NMC) is characterized by high initial specific capacities of more than 250 mA h g(-1), lower cost due to a lower Co content and higher thermal stability than LiCoO2. However, its commercialisation is currently still hampered by significant voltage fade, which is caused by irreversible transition metal ion migration to emptied Li positionsviatetrahedral interstices upon electrochemical cycling. This structural change is strongly correlated with anionic redox chemistry of the oxygen sublattice and has a detrimental effect on electrochemical performance. In a fully charged state, up to 4.8 Vvs.Li/Li+, Mn4+ is prone to migrate to the Li layer. The replacement of Mn4+ for an isovalent cation such as Sn4+ which does not tend to adopt tetrahedral coordination and shows a higher metal-oxygen bond strength is considered to be a viable strategy to stabilize the layered structure upon extended electrochemical cycling, hereby decreasing voltage fade. The influence of Sn4+ on the voltage fade in partially charged LMR-NMC is not yet reported in the literature, and therefore, we have investigated the structure and the corresponding electrochemical properties of LMR-NMC with different Sn concentrations. We determined the substitution limit of Sn4+ in Li1.2Ni0.13Co0.13Mn0.54-xSnxO2 by powder X-ray diffraction and transmission electron microscopy to be x approximate to 0.045. The limited solubility of Sn is subsequently confirmed by density functional theory calculations. Voltage fade for x= 0 andx= 0.027 has been comparatively assessed within the 3.00 V-4.55 V (vs.Li/Li+) potential window, from which it is concluded that replacing Mn4+ by Sn4+ cannot be considered as a viable strategy to inhibit voltage fade within this window, at least with the given restricted doping level.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000555330900018 Publication Date 2020-07-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0300-9246; 1477-9226; 1472-7773 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4 Times cited Open Access OpenAccess
Notes ; The authors acknowledge Research Foundation Flanders (FWO) project number G040116N for funding. The authors are grateful to Dr Ken Elen and Greet Cuyvers (imo-imomec, UHasselt and imec) for respectively preliminary PXRD measurements and performing ICP-AES on the monometal precursors. Dr Dmitry Rupasov (Skolkovo Institute of Science and Technology) is acknowledged for performing TGA measurements on the metal sulfate precursors. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI. ; Approved Most recent IF: 4; 2020 IF: 4.029
Call Number UA @ admin @ c:irua:171149 Serial 6450
Permanent link to this record
 
 
Author Kardel, F.; Wuyts, K.; De Wael, K.; Samson, R.
Title Assessing atmospheric dry deposition via water-soluble ionic composition of roadside leaves Type A1 Journal article
Year 2020 Publication Journal of environmental science and health : part A: toxic/hazardous substances and environmental engineering Abbreviated Journal
Volume Issue Pages 1-9
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract This study focuses on the water-soluble ion concentrations in the washing solution of leaves of different roadside tree species at three sites in Iran to estimate the ionic composition of the dry deposition of ambient air particulates. All considered water-soluble ion concentrations were significantly higher next to the roads with high traffic density compared to the reference site with low traffic density. The PCA results showed that Ca2+, Mg2+, and originated mainly from traffic activities and geological sources, and Na+, Cl-, K+ and F- from sea salts. In addition to sea salt, K+ and F- were also originated from anthropogenic sources i.e. industrial activities, biomass burning and fluorite mining. Moreover, the concentration of the water-soluble ions depended on species and site. C. lawsoniana had significantly higher ion concentrations in its leaf washing solution compared to L. japonicum and P. brutia which indicates C. lawsoniana is the most suitable species for accumulating of atmospheric dry deposition. From our results, it can be concluded that sites with similar traffic density can have different particle loads and water-soluble ion species, and that concentrations in leaf-washing solutions depend on site conditions and species-specific leaf surface characteristics.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000527821700001 Publication Date 2020-04-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 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:169584 Serial 6451
Permanent link to this record
 
 
Author Siriwardane, E.M.D.; Demiroglu, I.; Sevik, C.; Peeters, F.M.; Çakir, D.
Title Assessment of sulfur-functionalized MXenes for li-ion battery applications Type A1 Journal article
Year 2020 Publication Journal Of Physical Chemistry C Abbreviated Journal J Phys Chem C
Volume 124 Issue 39 Pages 21293-21304
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract The surface termination of MXenes greatly determines the electrochemical properties and ion kinetics on their surfaces. So far, hydroxyl-, oxygen-, and fluorine-terminated MXenes have been widely studied for energy storage applications. Recently, sulfur-functionalized MXene structures, which possess low diffusion barriers, have been proposed as candidate materials to enhance battery performance. We performed first-principles calculations on the structural, stability, electrochemical, and ion dynamic properties of Li-adsorbed sulfur-functionalized groups 3B, 4B, 5B, and 6B transition-metal (M)-based MXenes (i.e., M2CS2 with M = Sc, Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, and W). We performed phonon calculations, which indicated that all of the above M2CS2 MXenes, except for Sc, are dynamically stable at T = 0 K. The ground-state structure of each M2CS2 monolayer depends on the type of M atom. For instance, while sulfur prefers to sit at the FCC site on Ti2CS2, it occupies the HCP site of Cr-based MXene. We determined the Li adsorption configurations at different concentrations using the cluster expansion method. The highest maximum open-circuit voltages were computed for the group 4B element (i.e., Ti, Zr, and Hf)-based M2CS2, which are larger than 2.1 V, while their average voltages are approximately 1 V. The maximum voltage for the group 6B element (i.e., Cr, Mo, W)-based M2CS2 is less than 1 V, and the average voltage is less than 0.71 V. We found that S functionalization is helpful for capacity improvements over the O-terminated MXenes. In this respect, the computed storage gravimetric capacity may reach up to 417.4 mAh/g for Ti2CS2 and 404.5 mAh/g for V2CS2. Ta-, Cr-, Mo-, and W-based M2CS2 MXenes show very low capacities, which are less than 100 mAh/g. The Li surface diffusion energy barriers for all of the considered MXenes are less than 0.22 eV, which is favorable for high charging and discharging rates. Finally, ab initio molecular dynamic simulations performed at 400 K and bond-length analysis with respect to Li concentration verify that selected promising systems are robust against thermally induced perturbations that may induce structural transformations or distortions and undesirable Li release.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000577151900008 Publication Date 2020-09-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 15 Open Access
Notes ; Computational resources were provided by the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules Foundation. This work was supported, in part, by The Scientific and Technological Research Council of Turkey (TUBITAK) under contract no. 118F512 and the Air Force Office of Scientific Research under award no. FA9550-19-1-7048. This work was performed in part at the Center for Nanoscale Materials, a U.S. Department of Energy Office of Science User. Use of the Center for Nanoscale Materials, an Office of Science user facility, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract no. DE-AC02-06CH11357. This work was supported, in part, by The Scientific and Technological Research Council of Turkey (TUBITAK) under contract no. 118C026. ; Approved Most recent IF: 3.7; 2020 IF: 4.536
Call Number UA @ admin @ c:irua:172693 Serial 6452
Permanent link to this record
 
 
Author Topalovic, D.B.; Arsoski, V.V.; Tadic, M.Z.; Peeters, F.M.
Title Asymmetric versus symmetric HgTe/CdxHg1-x Te double quantum wells: Bandgap tuning without electric field Type A1 Journal article
Year 2020 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys
Volume 128 Issue 6 Pages 064301-64308
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We investigate the electron states in double asymmetric HgTe / Cd x Hg 1 – x Te quantum wells grown along the [ 001 ] direction. The subbands are computed by means of the envelope function approximation applied to the eight-band Kane k . mml:mspace width=“.1em”mml:mspace p model. The asymmetry of the confining potential of the double quantum wells results in a gap opening, which is absent in the symmetric system where it can only be induced by an applied electric field. The bandgap and the subbands are affected by spin-orbit coupling, which is a consequence of the asymmetry of the confining potential. The electron-like and hole-like states are mainly confined in different quantum wells, and the enhanced hybridization between them opens a spin-dependent hybridization gap at a finite in-plane wavevector. We show that both the ratio of the widths of the two quantum wells and the mole fraction of the C d x H g 1 – x Te barrier control both the energy gap between the hole-like states and the hybridization gap. The energy subbands are shown to exhibit inverted ordering, and therefore, a nontrivial topological phase could emerge in the system.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000561339300001 Publication Date 2020-08-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.2 Times cited 3 Open Access
Notes ; This research was funded by the Ministry of Education, Science and Technological Development of the Republic of Serbia and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.2; 2020 IF: 2.068
Call Number UA @ admin @ c:irua:171146 Serial 6453
Permanent link to this record
 
 
Author Cautaerts, N.; Lamm, S.; Stergar, E.; Pakarinen, J.; Yang, Y.; Hofer, C.; Schnitzer, R.; Felfer, P.; Verwerft, M.; Delville, R.; Schryvers, D.
Title Atom probe tomography data collection from DIN 1.4970 (15-15Ti) austenitic stainless steel irradiated with Fe ions Type Dataset
Year 2020 Publication Abbreviated Journal
Volume Issue Pages
Keywords Dataset; Electron microscopy for materials research (EMAT)
Abstract This dataset comprises a large collection of atom probe tomography datasets collected from DIN 1.4970 alloy that was irradiated with Fe ions at different conditions. The DIN 1.4970 alloy is an austenitic stainless steel with 15 wt% Cr, 15 wt% Ni, a small addition of Ti. The full composition and characterization of our material can be found published elsewhere [1,2]. Some of our material was subjected to ageing heat treatments at different temperatures for different times. Small samples of our original material and aged material was irradiated at the Michigan Ion Beam Laboratory in 2017 with 4.5 MeV Fe ions up to 40 dpa at an average dose rate of 2×10−4 dpa/s. This was done at three different temperatures: 300, 450, and 600 ºC. Atom probe samples were made of the irradiated layers (approximately 1.5 micron deep) with focused ion beam and mounted on Microtip coupons. APT measurements took place on three CAMECA LEAP-HR systems located at CAES in Idaho Falls, USA (files beginning with R33), at Montanuniversität Leoben in Leoben, Austria (R21) and at Friedrich–Alexander University in Erlangen, Germany (R56).
Address
Corporate Author Thesis
Publisher Place of Publication (up) 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 Not_Open_Access
Notes ; ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:169127 Serial 6454
Permanent link to this record