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| Author | Aghaei, M.; Lindner, H.; Bogaerts, A. | ||||
| Title | Optimization of operating parameters for inductively coupled plasma mass spectrometry : a computational study | Type | A1 Journal article | ||
| Year | 2012 | Publication | Spectrochimica acta: part B : atomic spectroscopy | Abbreviated Journal | Spectrochim Acta B |
| Volume | 76 | Issue | Pages | 56-64 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | An inductively coupled plasma, connected to a mass spectrometer interface, is computationally investigated. The effect of pressure behind the sampler, injector gas flow rate, auxiliary gas flow rate, and applied power is studied. There seems to be an optimum range of injector gas flow rate for each setup which guaranties the presence and also a proper length of the central channel in the torch. Moreover, our modeling results show that for any specific purpose, it is possible to control that either only the central gas flow passes through the sampler orifice or that it is accompanied by the auxiliary gas flow. It was also found that depending on geometry, the variation of outgoing gas flow rate is much less than the variation of the injector gas flow rate and this causes a slightly higher pressure inside the torch. The general effect of increasing the applied power is a rise in the plasma temperature, which results in a higher ionization in the coil region. However, the negative effect is reducing the length of the cool central channel which is important to transfer the sample substances to the sampler. Using a proper applied power can enhance the efficiency of the system. Indeed, by changing the gas path lines, the power can control which flow (i.e., only from injector gas or also from the auxiliary gas) goes to the sampler orifice. Finally, as also reported from experiments in literature, the pressure behind the sampler has no dramatic effect on the plasma characteristics. | ||||
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| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000311008600008 | Publication Date | 2012-06-23 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0584-8547; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.241 | Times cited | 18 | Open Access | |
| Notes | Approved  |
Most recent IF: 3.241; 2012 IF: 3.141 | |||
| Call Number | UA @ lucian @ c:irua:101356 | Serial | 2488 | ||
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| Author | Van Meensel, J.; Lauwers, L.; Van Huylenbroeck, G.; Van Passel, S. | ||||
| Title | Comparing frontier methods for economic-environmental trade-off analysis | Type | A1 Journal article | ||
| Year | 2010 | Publication | European Journal Of Operational Research | Abbreviated Journal | Eur J Oper Res |
| Volume | 207 | Issue | 2 | Pages | 1027-1040 |
| Keywords | A1 Journal article; Economics | ||||
| Abstract | This paper uses a mechanistic frontier approach as a reference to evaluate the ability of conventional parametric (SFA) and non-parametric (DEA) frontier approaches for analyzing economicenvironmental trade-offs. Conventional frontier approaches are environmentally adjusted through incorporating the materials balance principle. The analysis is worked out for the Flemish pig finishing case, which is both representative and didactic. Results show that, on average, SFA and DEA yield adequate economicenvironmental trade-offs. Both methods are good estimators for technical efficiency. Cost allocative and environmental allocative efficiency scores are less robust, due to the well-known methodological advantages and disadvantages of SFA and DEA. For particular firms, SFA, DEA and the mechanistic approach may yield different economicenvironmental trade-offs. One has therefore to be careful when using conventional frontier approaches for firm-specific decision support. The mechanistic approach allows for optimizing performances per average present finisher, which is the production unit in pig finishing. Conventional frontier methods do not allow for this optimization since the number of average present finishers varies along the production functions. Since the mechanistic production function is based on underlying growth, feed uptake and mortality functions, additional firm-specific indicators can also be calculated at each point of the production function. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000281107200045 | Publication Date | 2010-05-25 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0377-2217 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.297 | Times cited | 18 | Open Access | |
| Notes | ; This research is funded by the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT Vlaanderen). ; | Approved |
Most recent IF: 3.297; 2010 IF: 2.159 | ||
| Call Number | UA @ admin @ c:irua:136761 | Serial | 6171 | ||
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| Author | Tennyson, J.; Rahimi, S.; Hill, C.; Tse, L.; Vibhakar, A.; Akello-Egwel, D.; Brown, D.B.; Dzarasova, A.; Hamilton, J.R.; Jaksch, D.; Mohr, S.; Wren-Little, K.; Bruckmeier, J.; Agarwal, A.; Bartschat, K.; Bogaerts, A.; Booth, J.-P.; Goeckner, M.J.; Hassouni, K.; Itikawa, Y.; Braams, B.J.; Krishnakumar, E.; Laricchiuta, A.; Mason, N.J.; Pandey, S.; Petrovic, Z.L.; Pu, Y.-K.; Ranjan, A.; Rauf, S.; Schulze, J.; Turner, M.M.; Ventzek, P.; Whitehead, J.C.; Yoon, J.-S. | ||||
| Title | QDB: a new database of plasma chemistries and reactions | Type | A1 Journal article | ||
| Year | 2017 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
| Volume | 26 | Issue | 26 | Pages | 055014 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | One of the most challenging and recurring problems when modeling plasmas is the lack of data on the key atomic and molecular reactions that drive plasma processes. Even when there are data for some reactions, complete and validated datasets of chemistries are rarely available. This hinders research on plasma processes and curbs development of industrial applications. The QDB project aims to address this problem by providing a platform for provision, exchange, and validation of chemistry datasets. A new data model developed for QDB is presented. QDB collates published data on both electron scattering and heavy-particle reactions. These data are formed into reaction sets, which are then validated against experimental data where possible. This process produces both complete chemistry sets and identifies key reactions that are currently unreported in the literature. Gaps in the datasets can be filled using established theoretical methods. Initial validated chemistry sets for SF6/CF4/O2 and SF6/CF4/N2/H2 are presented as examples. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000398394500001 | Publication Date | 2017-04-04 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1361-6595 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.302 | Times cited | 18 | Open Access | OpenAccess |
| Notes | Approved |
Most recent IF: 3.302 | |||
| Call Number | PLASMANT @ plasmant @ c:irua:142206 | Serial | 4549 | ||
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| Author | Aghaei, M.; Lindner, H.; Bogaerts, A. | ||||
| Title | Effect of a mass spectrometer interface on inductively coupled plasma characteristics : a computational study | Type | A1 Journal article | ||
| Year | 2012 | Publication | Journal of analytical atomic spectrometry | Abbreviated Journal | J Anal Atom Spectrom |
| Volume | 27 | Issue | 4 | Pages | 604-610 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | An inductively coupled plasma connected to a mass spectrometer interface (sampling cone) is computationally investigated. Typical plasma characteristics, such as gas flow velocity, plasma temperature and electron density, are calculated in two dimensions (cylindrical symmetry) and compared with and without a mass spectrometer sampling interface. The results obtained from our model compare favorably with experimental data reported in the literature. A dramatic increase in the plasma velocity is reported in the region close to the interface. Furthermore, a cooled metal interface lowers the plasma temperature and electron density on the axial channel very close to the sampling cone but the corresponding values in the off axial regions are increased. Therefore, the effect of the interface strongly depends on the measurement position. It is shown that even a small shift from the actual position of the sampler leads to a considerable change of the results. | ||||
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| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | 000301496700005 | Publication Date | 2012-02-22 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0267-9477;1364-5544; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.379 | Times cited | 18 | Open Access | |
| Notes | Approved |
Most recent IF: 3.379; 2012 IF: 3.155 | |||
| Call Number | UA @ lucian @ c:irua:97386 | Serial | 791 | ||
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| Author | Borovinskaya, O.; Aghaei, M.; Flamigni, L.; Hattendorf, B.; Tanner, M.; Bogaerts, A.; Günther, D. | ||||
| Title | Diffusion- and velocity-driven spatial separation of analytes from single droplets entering an ICP off-axis | Type | A1 Journal article | ||
| Year | 2014 | Publication | Journal of analytical atomic spectrometry | Abbreviated Journal | J Anal Atom Spectrom |
| Volume | 29 | Issue | 2 | Pages | 262-271 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | The reproducible temporal separation of ion signals generated from a single multi-element droplet, observed in previous studies, was investigated in detail in this work using an ICPTOFMS with high temporal resolution. It was shown that the signal peak intensities of individual elements temporally shift relative to each other only for droplets moving through the plasma off-axis. The magnitude of these shifts correlated with the vaporization temperatures of the analytes and depended on the radial position of the droplets as well as on the thermal properties and velocity profiles of the carrier gases of the ICP. The occurrence of the signal shifting was explained by a spatial separation of analytes already present in the vapor phase in the ICP from a yet unvaporized residue of the droplet. This separation is most likely driven by anisotropic diffusion of vaporized analytes towards the plasma axis and a radial velocity gradient. The proposed explanation is supported by modeling of the gas velocities inside the ICP and imaging of the atomic and ionic emissions produced from single droplets, whose patterns were sloping towards the center of the torch. The effects observed in these studies are important not only for the fundamental understanding of analyteplasma interactions but have also a direct impact on the signal intensities and stability. | ||||
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| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | 000329934000006 | Publication Date | 2013-11-02 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0267-9477;1364-5544; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.379 | Times cited | 18 | Open Access | |
| Notes | Approved |
Most recent IF: 3.379; 2014 IF: 3.466 | |||
| Call Number | UA @ lucian @ c:irua:112897 | Serial | 697 | ||
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| Author | Van Holsbeke, C.; Vos, W.; van Hoorenbeeck, K.; Boudewyns, A.; Salgado, R.; Verdonck, P.R.; Ramet, J.; de Backer, J.; De Backer, W.; Verhulst, S.L. | ||||
| Title | Functional respiratory imaging as a tool to assess upper airway patency in children with obstructive sleep apnea | Type | A1 Journal article | ||
| Year | 2013 | Publication | Sleep Medicine | Abbreviated Journal | Sleep Med |
| Volume | 14 | Issue | 5 | Pages | 433-439 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP) | ||||
| Abstract | Objective: We aim to investigate if anatomical and functional properties of the upper airway using computerized 3D models derived from computed tomography (CT) scans better predict obstructive sleep apnea (OSA) severity than standard clinical markers. Methods: Consecutive children with suspected OSA underwent polysomnography, clinical assessment of upper airway patency, and a CT scan while awake. A three-dimensional (3D) reconstruction of the pharyngeal airway was built from these images, and computational fluid dynamics modeling of low inspiratory flow was performed using open-source software. Results: Thirty-three children were included (23 boys; mean age, was 6.0 +/- 3.2 y). OSA was diagnosed in 23 patients. Children with OSA had a significantly lower volume of the overlap region between tonsils and the adenoids (median volume, 1408 mm compared to 2173 mm; p = 0.04), a lower mean cross-sectional area at this location (median volume, 69.3 mm(2) compared to 114.3 mm(2); p = 0.04), and a lower minimal cross-sectional area (median volume, 17.9 mm(2) compared to 25.9 mm(2); p = 0.05). Various significant correlations were found between several imaging parameters and the severity of OSA, most pronounced for upper airway conductance (r = -0.46) (p < 0.01) for correlation between upper airway conductance and the apnea-hypopnea index. No differences or significant correlations were observed with clinical parameters of upper airway patency. Preliminary data after treatment showed that none of the patients with residual OSA had their smallest cross-sectional area located in segment 3, and this frequency was significantly lower than in their peers whose sleep study normalized (64%; p = 0.05). Conclusion: Functional imaging parameters are highly correlated with OSA severity and are a more powerful correlate than clinical scores of upper airway patency. Preliminary data also showed that we could identify differences in the upper airway of those subjects who did not benefit from a local upper airway treatment. (c) 2013 Elsevier B.V. All rights reserved. | ||||
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| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000318612100009 | Publication Date | 2013-03-07 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1389-9457; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.391 | Times cited | 18 | Open Access | |
| Notes | ; ; | Approved |
Most recent IF: 3.391; 2013 IF: 3.100 | ||
| Call Number | UA @ lucian @ c:irua:109015 | Serial | 1302 | ||
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| Author | Bafekry, A.; Stampfl, C.; Akgenc, B.; Ghergherehchi, M. | ||||
| Title | Control of C3N4 and C4N3 carbon nitride nanosheets' electronic and magnetic properties through embedded atoms | Type | A1 Journal article | ||
| Year | 2020 | Publication | Physical Chemistry Chemical Physics | Abbreviated Journal | Phys Chem Chem Phys |
| Volume | 22 | Issue | 4 | Pages | 2249-2261 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | In the present work, the effect of various embedded atom impurities on tuning electronic and magnetic properties of C3N4 and C4N3 nanosheets have been studied using first-principles calculations. Our calculations show that C3N4 is a semiconductor and it exhibits extraordinary electronic properties such as dilute-magnetic semiconductor (with H, F, Cl, Be, V, Fe and Co); metal (with N, P, Mg and Ca), half-metal (with Li, Na, K, Al, Sc, Cr, Mn, and Cu) and semiconductor (with O, S, B, C, Si, Ti, Ni and Zn) with the band gaps in the range of 0.3-2.0 eV depending on the species of embedded atom. The calculated electronic properties reveal that C4N3 is a half-metal and it retains half-metallic character with embedded H, O, S, F, B, N, P, Be, Mg, Al, Sc, V, Fe, Ni and Zn atoms. The substitution of Cl, C, Cr and Mn atoms create ferromagnetic-metal character in the C4N3 nanosheet, embedded Co and Cu atoms exhibit a dilute-magnetic semiconductor nature, and embedded Ti atoms result in the system becoming a semiconductor. Therefore, our results reveal the fact that the band gap and magnetism can be modified or induced by various atom impurities, thus, offering effective possibilities to tune the electronic and magnetic properties of C3N4 and C4N3 nanosheets. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000510729400042 | Publication Date | 2019-12-24 | |
| 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 | 3.3 | Times cited | 18 | Open Access | |
| Notes | ; This work has supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). B. Akgenc acknowledges financial support the Kirklareli University-BAP under the Project No 189 and TUBITAK ULAKBIM, High Performance and Grid Computing Center. ; | Approved |
Most recent IF: 3.3; 2020 IF: 4.123 | ||
| Call Number | UA @ admin @ c:irua:166553 | Serial | 6476 | ||
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| Author | Obeid, M.M.; Stampfl, C.; Bafekry, A.; Guan, Z.; Jappor, H.R.; Nguyen, C., V; Naseri, M.; Hoat, D.M.; Hieu, N.N.; Krauklis, A.E.; Tuan V Vu; Gogova, D. | ||||
| Title | First-principles investigation of nonmetal doped single-layer BiOBr as a potential photocatalyst with a low recombination rate | Type | A1 Journal article | ||
| Year | 2020 | Publication | Physical Chemistry Chemical Physics | Abbreviated Journal | Phys Chem Chem Phys |
| Volume | 22 | Issue | 27 | Pages | 15354-15364 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Nonmetal doping is an effective approach to modify the electronic band structure and enhance the photocatalytic performance of bismuth oxyhalides. Using density functional theory, we systematically examine the fundamental properties of single-layer BiOBr doped with boron (B) and phosphorus (P) atoms. The stability of the doped models is investigated based on the formation energies, where the substitutional doping is found to be energetically more stable under O-rich conditions than under Bi-rich ones. The results showed that substitutional doping of P atoms reduced the bandgap of pristine BiOBr to a greater extent than that of boron substitution. The calculation of the effective masses reveals that B doping can render the electrons and holes of pristine BiOBr lighter and heavier, respectively, resulting in a slower recombination rate of photoexcited electron-hole pairs. Based on the results of HOMO-LUMO calculations, the introduction of B atoms tends to increase the number of photocatalytically active sites. The top of the valence band and the conduction band bottom of the B doped BiOBr monolayer match well with the water redox potentials in an acidic environment. The absorption spectra propose that B(P) doping causes a red-shift. Overall, the results predict that nonmetal-doped BiOBr monolayers have a reduced bandgap, a slow recombination rate, more catalytically active sites, enhanced optical absorption edges, and reduced work functions, which will contribute to superior photocatalytic performance. | ||||
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| Language | Wos | 000549894000018 | Publication Date | 2020-06-16 | |
| 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 | 3.3 | Times cited | 18 | Open Access | |
| Notes | ; This work was partially supported by the financial support from the Natural Science Foundation of China (Grant No. 11904203) and the Fundamental Research Funds of Shandong University (Grant No. 2019GN065). ; | Approved |
Most recent IF: 3.3; 2020 IF: 4.123 | ||
| Call Number | UA @ admin @ c:irua:171235 | Serial | 6522 | ||
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| Author | Jannis, D.; Müller-Caspary, K.; Béché, A.; Oelsner, A.; Verbeeck, J. | ||||
| Title | Spectroscopic coincidence experiments in transmission electron microscopy | Type | A1 Journal article | ||
| Year | 2019 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
| Volume | 114 | Issue | 14 | Pages | 143101 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | We demonstrate the feasibility of coincidence measurements on a conventional transmission electron microscope, revealing the temporal correlation between electron energy loss spectroscopy (EELS) and energy dispersive X-ray (EDX) spectroscopy events. We make use of a delay line detector with ps-range time resolution attached to a modified EELS spectrometer. We demonstrate that coincidence between both events, related to the excitation and deexcitation of atoms in a crystal, provides added information not present in the individual EELS or EDX spectra. In particular, the method provides EELS with a significantly suppressed or even removed background, overcoming the many difficulties with conventional parametric background fitting as it uses no assumptions on the shape of the background, requires no user input and does not suffer from counting noise originating from the background signal. This is highly attractive, especially when low concentrations of elements need to be detected in a matrix of other elements. |
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| Language | Wos | 000464450200022 | Publication Date | 2019-04-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-6951 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.411 | Times cited | 18 | Open Access | OpenAccess |
| Notes | Fonds Wetenschappelijk Onderzoek, G093417 ; Horizon 2020 Framework Programme, 823717 ESTEEM3 ; Helmholtz Association, VH-NG-1327 ; | Approved |
Most recent IF: 3.411 | ||
| Call Number | EMAT @ emat @UA @ admin @ c:irua:159155 | Serial | 5168 | ||
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| Author | Neek-Amal, M.; Peeters, F.M. | ||||
| Title | Effect of grain boundary on the buckling of graphene nanoribbons | Type | A1 Journal article | ||
| Year | 2012 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
| Volume | 100 | Issue | 10 | Pages | 101905-101905,4 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The buckling of graphene nano-ribbons containing a grain boundary is studied using atomistic simulations where free and supported boundary conditions are invoked. We consider the buckling transition of two kinds of grain boundaries with special symmetry. When graphene contains a large angle grain boundary with theta = 21.8 degrees, the buckling strains are larger than those of perfect graphene when the ribbons with free (supported) boundary condition are subjected to compressive tension parallel (perpendicular) to the grain boundary. This is opposite for the results of theta = 32.2 degrees. The shape of the deformations of the buckled graphene nanoribbons depends on the boundary conditions, the presence of the particular used grain boundaries, and the direction of applied in-plane compressive tension. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3692573] | ||||
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| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000301655500021 | Publication Date | 2012-03-06 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-6951; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.411 | Times cited | 18 | Open Access | |
| Notes | ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; | Approved |
Most recent IF: 3.411; 2012 IF: 3.794 | ||
| Call Number | UA @ lucian @ c:irua:97794 | Serial | 809 | ||
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| Author | Milovanović, S.P.; Masir, M.R.; Peeters, F.M. | ||||
| Title | Interplay between snake and quantum edge states in a graphene Hall bar with a pn-junction | Type | A1 Journal article | ||
| Year | 2014 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
| Volume | 105 | Issue | 12 | Pages | 123507 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The magneto- and Hall resistance of a locally gated cross shaped graphene Hall bar is calculated. The edge of the top gate is placed diagonally across the center of the Hall cross. Four-probe resistance is calculated using the Landauer-Büttiker formalism, while the transmission coefficients are obtained using the non-equilibrium Green's function approach. The interplay between transport due to edge channels and snake states is investigated. When two edge channels are occupied, we predict oscillations in the Hall and the bend resistance as function of the magnetic field, which are a consequence of quantum interference between the occupied snake states. | ||||
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| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000343004400090 | Publication Date | 2014-09-27 | |
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| ISSN | 0003-6951;1077-3118; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.411 | Times cited | 18 | Open Access | |
| Notes | This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN and the Methusalem Foundation of the Flemish government. | Approved |
Most recent IF: 3.411; 2014 IF: 3.302 | ||
| Call Number | UA @ lucian @ c:irua:121119 | Serial | 1704 | ||
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| Author | Alvarez-Martin, A.; Trashin, S.; Cuykx, M.; Covaci, A.; De Wael, K.; Janssens, K. | ||||
| Title | Photodegradation mechanisms and kinetics of Eosin-Y in oxic and anoxic conditions | Type | A1 Journal article | ||
| Year | 2017 | Publication | Dyes and pigments | Abbreviated Journal | Dyes Pigments |
| Volume | 145 | Issue | Pages | 376-384 | |
| Keywords | A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre | ||||
| Abstract | Lakes based on Eosin-Y are extensively used by 19th century artists. Unfortunately, the identification of these pigments in paintings is a difficult task because Eosin-Y degrades very fast under the influence of light. The characterization of the (photo)degradation products of Eosin-Y can be very useful for the identification of these pigments in historic works of art and related cultural heritage artifacts. Furthermore, knowledge on how different factors influence the discoloration process (e.g. different types of irradiation sources and presence/absence of oxygen) is a valuable tool for preventive conservation. To this aim we performed a study on the photodegradation of Eosin-Y in solution under different illumination and in both oxic and anoxic conditions. The photodegradation of Eosin-Y was monitored by UV-VIS spectrophotometry, LC-QTOFMS and electrochemistry techniques. Results indicated higher degradation rates, by a factor of 20 or higher, under illumination with wavelengths near to the main absorbance band of the red pigment. Two different degradation pathways are observed under the conditions studied. LC-QTOFMS and electrochemistry suggested that in the presence of oxygen the degradation mechanism is an oxidative process where the breakdown of the structure causes the total discoloration. Meanwhile under anoxic conditions, a debromination process takes place while the chromophore, and consequently the color of the molecule in solution, remains essentially intact. | ||||
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| Language | Wos | 000405972900046 | Publication Date | 2017-06-16 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 0143-7208 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.473 | Times cited | 18 | Open Access | |
| Notes | ; ; | Approved |
Most recent IF: 3.473 | ||
| Call Number | UA @ admin @ c:irua:144385 | Serial | 5770 | ||
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| Author | Leus, K.; Perez, J.P.H.; Folens, K.; Meledina, M.; Van Tendeloo, G.; Du Laing, G.; Van Der Voort, P. | ||||
| Title | UiO-66-(SH)2 as stable, selective and regenerable adsorbent for the removal of mercury from water under environmentally-relevant conditions | Type | A1 Journal article | ||
| Year | 2017 | Publication | Faraday discussions | Abbreviated Journal | Faraday Discuss |
| Volume | 201 | Issue | Pages | 145-161 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The dithiol functionalized UiO-66-(SH)(2) is developed as an efficient adsorbent for the removal of mercury in aqueous media. Important parameters for the application of MOFs in real-life circumstances include: stability and recyclability of the adsorbents, selectivity for the targeted Hg species in the presence of much higher concentrations of interfering species, and ability to purify wastewater below international environmental limits within a short time. We show that UiO-66-(SH)(2) meets all these criteria. | ||||
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| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | 000409366000009 | Publication Date | 2017-06-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1359-6640 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.588 | Times cited | 18 | Open Access | Not_Open_Access |
| Notes | ; J. P. H. P. is grateful for the funding from the Vlaamse Interuniversitaire Raad-Universitaire Ontwikkelingssamenwerking (VLIR-UOS). K. L. acknowledges the financial support from the Ghent University BOF Postdoctoral Grant (01P06813T). ; | Approved |
Most recent IF: 3.588 | ||
| Call Number | UA @ lucian @ c:irua:145653 | Serial | 4757 | ||
| Permanent link to this record | |||||
| Author | Van Dael, M.; Marquez, N.; Reumerman, P.; Pelkmans, L.; Kuppens, T.; Van Passel, S. | ||||
| Title | Development and techno-economic evaluation of a biorefinery based on biomass (waste) streams : case study in the Netherlands | Type | A1 Journal article | ||
| Year | 2014 | Publication | Biofuels Bioproducts & Biorefining-Biofpr | Abbreviated Journal | Biofuel Bioprod Bior |
| Volume | 8 | Issue | 5 | Pages | 635-644 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) | ||||
| Abstract | In this paper, the technical and economic advantages of combining conversion technologies into a multi-dimensional plant primarily using regional biomass residues are investigated. The main objective is to show how locally available biomass can be used more efficiently as a source for renewable energy and bio-based products. Therefore, not only is the theoretical perspective considered, but also a reality check for the local situation is taken into account. Although industrial attitude toward biorefineries is positive, the efficient production of a portfolio of bio-based products has not yet been implemented. A biorefinery concept for Moerdijk (the Netherlands) was developed, focusing on grass refining, production of pyrolysis oil, biodiesel production, and bio-LNG production. Grass refining is the most experimental technique of all proposed conversion techniques. In terms of development, pyrolysis oil and bio-LNG production are in the demonstration phase. Anaerobic digestion and biodiesel production are proven techniques. It is shown that this concept allows for synergies with regard to the utilization of residue flows from internal processes. Furthermore, it is demonstrated that by integrating different conversion technologies, an economically feasible concept can be developed in which technologies, currently residing in a demonstration phase, can also be brought to the market. (c) 2013 Society of Chemical Industry and John Wiley & Sons, Ltd | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000342662200015 | Publication Date | 2013-11-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1932-104x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.694 | Times cited | 18 | Open Access | |
| Notes | ; We would like to thank the editor and the anonymous referees for their helpful suggestions and insightful comments that have significantly improved the paper. The Energy Conversion Parks (ECP) project is funded by the Interreg IVa – Flanders-Netherlands program from the European Fund for Regional Development that stimulates cross-border projects. Also the Dutch Ministry of Economic Affairs, the Flemish Government, the Provinces of Noord-Brabant (NL), Zeeland (NL), Limburg (BE) and the partners (VITO, Avans University of Applied Sciences, Wageningen University and Research, Hasselt University, and Zeeland University of Applied Sciences) themselves are co-financing the project. We also would like to express our gratitude toward the organization of the 2nd Iberoamerican Congress on Biorefineries in Jaen (Spain) for giving us the opportunity to present and thereby fine-tune our work. ; | Approved |
Most recent IF: 3.694; 2014 IF: 4.214 | ||
| Call Number | UA @ admin @ c:irua:127541 | Serial | 6180 | ||
| Permanent link to this record | |||||
| Author | Verlackt, C.C.W.; Neyts, E.C.; Jacob, T.; Fantauzzi, D.; Golkaram, M.; Shin, Y.-K.; van Duin, A.C.T.; Bogaerts, A. | ||||
| Title | Atomic-scale insight into the interactions between hydroxyl radicals and DNA in solution using the ReaxFF reactive force field | Type | A1 Journal article | ||
| Year | 2015 | Publication | New journal of physics | Abbreviated Journal | New J Phys |
| Volume | 17 | Issue | 17 | Pages | 103005 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Cold atmospheric pressure plasmas have proven to provide an alternative treatment of cancer by targeting tumorous cells while leaving their healthy counterparts unharmed. However, the underlying mechanisms of the plasma–cell interactions are not yet fully understood. Reactive oxygen species, and in particular hydroxyl radicals (OH), are known to play a crucial role in plasma driven apoptosis of malignant cells. In this paper we investigate the interaction of OH radicals, as well as H2O2 molecules and HO2 radicals, with DNA by means of reactive molecular dynamics simulations using the ReaxFF force field. Our results provide atomic-scale insight into the dynamics of oxidative stress on DNA caused by the OH radicals, while H2O2 molecules appear not reactive within the considered timescale. Among the observed processes are the formation of 8-OH-adduct radicals, forming the first stages towards the formation of 8-oxoGua and 8-oxoAde, H-abstraction reactions of the amines, and the partial opening of loose DNA ends in aqueous solution. |
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| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000367328100001 | Publication Date | 2015-10-02 | |
| 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 | 18 | Open Access | |
| Notes | CCWV,ECN and AB acknowledge the contribution of J Van Beeck who is investigating the interaction between H2O2 andDNAusingrMDsimulations. Furthermore, they acknowledge financial support from the Fund for Scientific Research—Flanders (project number G012413N). The calculations were performed using the Turing HPCinfrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the Universiteit Antwerpen. TJ and DF gratefully acknowledge support from the European Research Council through the ERC-Starting GrantTHEOFUN(Grant Agreement No. 259608). | Approved |
Most recent IF: 3.786; 2015 IF: 3.558 | ||
| Call Number | c:irua:129178 | Serial | 3955 | ||
| Permanent link to this record | |||||
| Author | Torun, E.; Sahin, H.; Peeters, F.M. | ||||
| Title | Optical properties of GaS-Ca(OH)2 bilayer heterostructure | Type | A1 Journal article | ||
| Year | 2016 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
| Volume | 93 | Issue | 93 | Pages | 075111 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Finding novel atomically thin heterostructures and understanding their characteristic properties are critical for developing better nanoscale optoelectronic devices. In this study, we investigate the electronic and optical properties of a GaS-Ca(OH)(2) heterostructure using first-principle calculations. The band gap of the GaS-Ca(OH)(2) heterostructure is significantly reduced when compared to those of the isolated constituent layers. Our calculations showthat the GaS-Ca(OH)(2) heterostructure is a type-II heterojunction which can be used to separate photoinduced charge carriers where electrons are localized in GaS and holes in the Ca(OH)(2) layer. This leads to spatially indirect excitons which are important for solar energy and optoelectronic applications due to their long lifetime. By solving the Bethe-Salpeter equation on top of a single shot GW calculation (G(0)W(0)), the dielectric function and optical oscillator strength of the constituent monolayers and the heterostructure are obtained. The oscillator strength of the optical transition for the GaS monolayer is an order of magnitude larger than the Ca(OH)(2) monolayer. We also found that the calculated optical spectra of different stacking types of the heterostructure show dissimilarities, although their electronic structures are rather similar. This prediction can be used to determine the stacking type of ultrathin heterostructures. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000369401000001 | Publication Date | 2016-02-06 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2469-9950;2469-9969; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 18 | Open Access | |
| Notes | ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus long Marie Curie Fellowship. ; | Approved |
Most recent IF: 3.836 | ||
| Call Number | UA @ lucian @ c:irua:131614 | Serial | 4220 | ||
| Permanent link to this record | |||||
| Author | Zarenia, M.; Neilson, D.; Partoens, B.; Peeters, F.M. | ||||
| Title | Wigner crystallization in transition metal dichalcogenides : a new approach to correlation energy | Type | A1 Journal article | ||
| Year | 2017 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
| Volume | 95 | Issue | 95 | Pages | 115438 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We introduce a new approach for the correlation energy of one- and two-valley two-dimensional electron gas (2DEG) systems. Our approach is based on an interpolation between two limits, a random phase approximation at high densities and a classical approach at low densities which gives excellent agreement with available Quantum Monte Carlo (QMC) calculations. The two-valley 2DEG model is introduced to describe the electron correlations in monolayer transition metal dichalcogenides (TMDs). We study the zero-temperature transition from a Fermi liquid to a quantum Wigner crystal phase in monolayer TMDs. Consistent with QMC, we find that electrons crystallize at r(s) = 31 in one-valley 2DEG. For two valleys, we predict Wigner crystallization at r(s) = 30, implying that valley degeneracy has little effect on the critical r(s), in contrast to an earlier claim. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Physical Society | Place of Publication | New York, N.Y | Editor | |
| Language | Wos | 000399141200003 | Publication Date | 2017-03-30 | |
| 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 | 3.836 | Times cited | 18 | Open Access | |
| Notes | ; This work was partially supported by the Flanders Research Foundation (FWO) and the Methusalem program of the Flemish government. D.N. acknowledges support by the University of Camerino FAR project CESEMN. ; | Approved |
Most recent IF: 3.836 | ||
| Call Number | UA @ lucian @ c:irua:142428 | Serial | 4613 | ||
| Permanent link to this record | |||||
| Author | Zhang, L.-F.; Covaci, L.; Milošević, M.V. | ||||
| Title | Topological phase transitions in small mesoscopic chiral p-wave superconductors | Type | A1 Journal article | ||
| Year | 2017 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
| Volume | 96 | Issue | 22 | Pages | 224512 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | <script type='text/javascript'>document.write(unpmarked('Spin-triplet chiral p-wave superconductivity is typically described by a two-component order parameter, and as such is prone to unique emergent effects when compared to the standard single-component superconductors. Here we present the equilibrium phase diagram for small mesoscopic chiral p-wave superconducting disks in the presence of magnetic field, obtained by solving the microscopic Bogoliubov-de Gennes equations self-consistently. In the ultrasmall limit, the cylindrically symmetric giant-vortex states form the ground state of the system. However, with increasing sample size, the cylindrical symmetry is broken as the two components of the order parameter segregate into domains, and the number of fragmented domain walls between them characterizes the resulting states. Such domain walls are topological defects unique for the p-wave order, and constitute a dominant phase in the mesoscopic regime. Moreover, we find two possible types of domain walls, identified by their chirality-dependent interaction with the edge states.')); | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Physical Society | Place of Publication | New York, N.Y | Editor | |
| Language | Wos | 000418653500012 | Publication Date | 2017-12-26 | |
| 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 | 3.836 | Times cited | 18 | Open Access | |
| Notes | ; This work was supported by the Research Foundation Flanders (FWO-Vlaanderen) and the Special Research Funds of the University of Antwerp. ; | Approved |
Most recent IF: 3.836 | ||
| Call Number | UA @ lucian @ c:irua:148504 | Serial | 4901 | ||
| Permanent link to this record | |||||
| Author | Chen, Q.; Li, L.L.; Peeters, F.M. | ||||
| Title | Magnetic field dependence of electronic properties of MoS2 quantum dots with different edges | Type | A1 Journal article | ||
| Year | 2018 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
| Volume | 97 | Issue | 8 | Pages | 085437 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Using the tight-binding approach, we investigate the energy spectrum of square, triangular, and hexagonal MoS2 quantum dots (QDs) in the presence of a perpendicular magnetic field. Novel edge states emerge in MoS2 QDs, which are distributed over the whole edge which we call ring states. The ring states are robust in the presence of spin-orbit coupling (SOC). The corresponding energy levels of the ring states oscillate as a function of the perpendicular magnetic field which are related to Aharonov-Bohm oscillations. Oscillations in the magnetic field dependence of the energy levels and the peaks in the magneto-optical spectrum emerge (disappear) as the ring states are formed (collapsed). The period and the amplitude of the oscillation decrease with the size of the MoS2 QDs. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Physical Society | Place of Publication | New York, N.Y | Editor | |
| Language | Wos | 000426042800009 | Publication Date | 2018-02-26 | |
| 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 | 3.836 | Times cited | 18 | Open Access | |
| Notes | ; Q. Chen acknowledges financial support from the (China Scholarship Council (CSC)). This work was also supported by Hunan Provincial Natural Science Foundation of China (Grant No. 2015JJ2040) and by the Scientific Research Fund of Hunan Provincial Education Department (Grant No. 15A042). Additional support from the FLAG-ERA TRANS-2D-TMD is acknowledged. ; | Approved |
Most recent IF: 3.836 | ||
| Call Number | UA @ lucian @ c:irua:149905UA @ admin @ c:irua:149905 | Serial | 4941 | ||
| Permanent link to this record | |||||
| Author | Bacaksiz, C.; Šabani, D.; Menezes, R.M.; Milošević, M.V. | ||||
| Title | Distinctive magnetic properties of CrI3 and CrBr3 monolayers caused by spin-orbit coupling | Type | A1 Journal article | ||
| Year | 2021 | Publication | Physical Review B | Abbreviated Journal | Phys Rev B |
| Volume | 103 | Issue | 12 | Pages | 125418 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | After the discovery of magnetism in monolayer CrI3, the magnetic properties of different 2D materials from the chromium-trihalide family are intuitively assumed to be similar, yielding magnetic anisotropy from the spin-orbit coupling on halide ligands. Here we reveal significant differences between the CrI3 and CrBr3 magnetic monolayers in their magnetic anisotropy, resulting Curie temperature, hysteresis in external magnetic field, and evolution of magnetism with strain, all predominantly attributed to distinctly different interplay of atomic contributions to spin-orbit coupling in two materials. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000646179300003 | Publication Date | 2021-03-17 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 18 | Open Access | OpenAccess |
| Notes | Fonds Wetenschappelijk Onderzoek; Universiteit Antwerpen; | Approved |
Most recent IF: 3.836 | ||
| Call Number | CMT @ cmt @c:irua:177506 | Serial | 6756 | ||
| Permanent link to this record | |||||
| Author | Gonzalez, A.; Partoens, B.; Peeters, F.M. | ||||
| Title | Padé approximants for the groundstate energy of closed-shell quantum dots | Type | A1 Journal article | ||
| Year | 1997 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 56 | Issue | Pages | 15740-15743 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | |||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Lancaster, Pa | Editor | ||
| Language | Wos | 000071251000036 | Publication Date | 2002-07-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0163-1829;1095-3795; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 18 | Open Access | |
| Notes | Approved |
Most recent IF: 3.836; 1997 IF: NA | |||
| Call Number | UA @ lucian @ c:irua:19270 | Serial | 2550 | ||
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| Author | Gordon, I.; Wagner, P.; Das, A.; Vanacken, J.; Moshchalkov, V.V.; Bruynseraede, Y.; Schuddinck, W.; Van Tendeloo, G.; Ziese, M.; Borghs, G. | ||||
| Title | Comparative Hall studies in the electron- and hole-doped manganites La0.33Ca0.67MnO3 and La0.70Ca0.30MnO3 | Type | A1 Journal article | ||
| Year | 2000 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 62 | Issue | 17 | Pages | 11633-11638 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Lancaster, Pa | Editor | ||
| Language | Wos | 000165201900064 | Publication Date | 2002-07-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0163-1829;1095-3795; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 18 | Open Access | |
| Notes | Approved |
Most recent IF: 3.836; 2000 IF: NA | |||
| Call Number | UA @ lucian @ c:irua:54734 | Serial | 417 | ||
| Permanent link to this record | |||||
| Author | Boullay, P.; Schryvers, D.; Kohn, R.V. | ||||
| Title | Bending martensite needles in Ni65Al35 investigated by two-dimensional elasticity and high-resolution transmission electron microscopy | Type | A1 Journal article | ||
| Year | 2001 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 64 | Issue | Pages | 144105,1-8 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Lancaster, Pa | Editor | ||
| Language | Wos | 000171530000026 | Publication Date | 2002-07-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0163-1829;1095-3795; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 18 | Open Access | |
| Notes | Approved |
Most recent IF: 3.836; 2001 IF: NA | |||
| Call Number | UA @ lucian @ c:irua:48392 | Serial | 227 | ||
| Permanent link to this record | |||||
| Author | Li, L.L.; Xu, W.; Peeters, F.M. | ||||
| Title | Intrinsic optical anisotropy of [001]-grown short-period InAs/GaSb superlattices | Type | A1 Journal article | ||
| Year | 2010 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 82 | Issue | 23 | Pages | 235422-235422,10 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We theoretically investigate the intrinsic optical anisotropy or polarization induced by the microscopic interface asymmetry (MIA) in no-common-atom (NCA) InAs/GaSb superlattices (SLs) grown along the [001] direction. The eight-band K⋅P model is used to calculate the electronic band structures and incorporates the MIA effect. A Boltzmann equation approach is employed to calculate the optical properties. We found that in NCA InAs/GaSb SLs, the MIA effect causes a large in-plane optical anisotropy for linearly polarized light and the largest anisotropy occurs for light polarized along the [110] and [11̅ 0] directions. The relative difference between the optical-absorption coefficient for [110]-polarized light and that for [11̅ 0]-polarized light is found to be larger than 50%. The dependence of the in-plane optical anisotropy on temperature, photoexcited carrier density, and layer width is examined in detail. This study is important for optical devices which require the polarization control and selectivity. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000286768800007 | Publication Date | 2010-12-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121;1550-235X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 18 | Open Access | |
| Notes | ; This work was supported partly by the Flemish Science Foundation (FWO-VL), the Belgium Science Policy (IAP), the NSF of China (Grants No. 10664006, No. 10504036, and No. 90503005), Special Funds of 973 Project of China (Grant No. 2005CB623603), and Knowledge Innovation Program of the Chinese Academy of Sciences. ; | Approved |
Most recent IF: 3.836; 2010 IF: 3.774 | ||
| Call Number | UA @ lucian @ c:irua:88909 | Serial | 1717 | ||
| Permanent link to this record | |||||
| Author | Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M. | ||||
| Title | Vortices induced in a superconducting loop by asymmetric kinetic inductance and their detection in transport measurements | Type | A1 Journal article | ||
| Year | 2010 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 81 | Issue | 14 | Pages | 144511,1-144511,5 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Using time-dependent Ginzburg-Landau theory, we study the dynamic properties of a rectangular superconducting loop, which are found to depend on the position of the current leads. For asymmetric positioning of the leads, different kinetic inductance of the two paths for injected electric current leads to different critical conditions in the two branches. System self-regulates by allowing vortex entry, as vortex currents bring equilibration between the two current flows and the conventional resistive state can be realized. We also demonstrate that individual vortex entry in the loop can be detected by measuring the voltage between normal-metal leads, for applied currents comparable in magnitude to the screening currents. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000277210200107 | Publication Date | 2010-04-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121;1550-235X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 18 | Open Access | |
| Notes | ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), the ESF-NES program, and the ESF-AQDJJ network. G.R.B. acknowledges support from FWO-Vlaanderen. The authors thank S. Michotte for useful discussions. ; | Approved |
Most recent IF: 3.836; 2010 IF: 3.774 | ||
| Call Number | UA @ lucian @ c:irua:82804 | Serial | 3901 | ||
| Permanent link to this record | |||||
| Author | Peelaers, H.; Partoens, B.; Giantomassi, M.; Rangel, T.; Goossens, E.; Rignanese, G.-M.; Gonze, X.; Peeters, F.M. | ||||
| Title | Convergence of quasiparticle band structures of Si and Ge nanowires in the GW approximation and the validity of scissor shifts | Type | A1 Journal article | ||
| Year | 2011 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 83 | Issue | 4 | Pages | 045306-045306,6 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Starting from fully converged density-functional theory calculations, the quasiparticle corrections are calculated for different sized Si and Ge nanowires using the GW approximation. The effectiveness of recently developed techniques in speeding up the convergence of the quasiparticle calculations is demonstrated. The complete quasiparticle band structures are also obtained using an interpolation technique based on maximallylocalized Wannier functions. From the quasiparticle results, we assess the correctness of the commonly applied scissor-shift correction. Dispersion changes are observed, which are also reflected in changes in the effective band masses calculated taking into account quasiparticle corrections. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000286771400004 | Publication Date | 2011-01-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121;1550-235X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 18 | Open Access | |
| Notes | ; We are grateful to Yann Pouillon for valuable technical support with the build system of ABINIT, related to the WANNIER90 library. This work was supported by the Flemish Science Foundation (FWO-Vl) and by the Interuniversity Attraction Poles Program (P6/42)-Belgian State-Belgian Science Policy. X. G. and G.-M. R. acknowledge funding from the EU's 7th Framework Programme through the ETSF I3 e-Infrastructure project (Grant No. 211956), the Communaute francaise de Belgique through the Action de Recherche Concertee 07/12-003 “Nanosystemes hybrides metal-organiques,” and the Wallon Region Project No. 816849 “ European Theoretical Spectroscopy Facility” (WALL ETSF). M. G. acknowledges funding from the FRFC Project No. 2.4.589.09.F. ; | Approved |
Most recent IF: 3.836; 2011 IF: 3.691 | ||
| Call Number | UA @ lucian @ c:irua:86905 | Serial | 510 | ||
| Permanent link to this record | |||||
| Author | Li, Z.; Covaci, L.; Marsiglio, F. | ||||
| Title | Impact of Dresselhaus versus Rashba spin-orbit coupling on the Holstein polaron | Type | A1 Journal article | ||
| Year | 2012 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 85 | Issue | 20 | Pages | 205112-205112,5 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We utilize an exact variational numerical procedure to calculate the ground-state properties of a polaron in the presence of Rashba and linear Dresselhaus spin-orbit coupling. We find that when the linear Dresselhaus spin-orbit coupling approaches the Rashba spin-orbit coupling, the Van Hove singularity in the density of states will be shifted away from the bottom of the band and finally disappear when the two spin-orbit couplings are tuned to be equal. The effective mass will be suppressed; the trend will become more significant for low phonon frequency. The presence of two dominant spin-orbit couplings will make it possible to tune the effective mass with more varied observables. | ||||
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| Language | Wos | 000303794900003 | Publication Date | 2012-05-09 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121;1550-235X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 18 | Open Access | |
| Notes | ; This work was supported in part by the Natural Sciences and Engineering Research Council of Canada (NSERC), by ICORE (Alberta), by the Flemish Science Foundation (FWO-Vl), and by the Canadian Institute for Advanced Research (CIfAR). ; | Approved |
Most recent IF: 3.836; 2012 IF: 3.767 | ||
| Call Number | UA @ lucian @ c:irua:99121 | Serial | 1558 | ||
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| Author | Fang, C.M.; van Huis, M.A.; Thijsse, B.J.; Zandbergen, H.W. | ||||
| Title | Stability and crystal structures of iron carbides : a comparison between the semi-empirical modified embedded atom method and quantum-mechanical DFT calculations | Type | A1 Journal article | ||
| Year | 2012 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 85 | Issue | 5 | Pages | 054116-054116,7 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Iron carbides play a crucial role in steel manufacturing and processing and to a large extent determine the physical properties of steel products. The modified embedded atom method (MEAM) in combination with Lee's Fe-C potential is a good candidate for molecular dynamics simulations on larger Fe-C systems. Here, we investigate the stability and crystal structures of pure iron and binary iron carbides using MEAM and compare them with the experimental data and quantum-mechanical density functional theory calculations. The analysis shows that the Fe-C potential gives reasonable results for the relative stability of iron and iron carbides. The performance of MEAM for the prediction of the potential energy and the calculated lattice parameters at elevated temperature for pure iron phases and cementite are investigated as well. The conclusion is that Lee's MEAM Fe-C potential provides a promising basis for further molecular dynamics simulations of Fe-C alloys and steels at lower temperatures (up to 800 K). | ||||
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| Language | Wos | 000300931900004 | Publication Date | 2012-02-29 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121;1550-235X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 18 | Open Access | |
| Notes | Approved |
Most recent IF: 3.836; 2012 IF: 3.767 | |||
| Call Number | UA @ lucian @ c:irua:97201 | Serial | 3117 | ||
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| Author | Arsoski, V.V.; Tadić, M.Z.; Peeters, F.M. | ||||
| Title | Strain and band-mixing effects on the excitonic Aharonov-Bohm effect in In(Ga)As/GaAs ringlike quantum dots | Type | A1 Journal article | ||
| Year | 2013 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 87 | Issue | 8 | Pages | 085314-14 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Neutral excitons in strained axially symmetric In(Ga)As/GaAs quantum dots with a ringlike shape are investigated. Similar to experimental self-assembled quantum rings, the analyzed quantum dots have volcano-like shapes. The continuum mechanical model is employed to determine the strain distribution, and the single-band envelope function approach is adopted to compute the electron states. The hole states are determined by the axially symmetric multiband Luttinger-Kohn Hamiltonian, and the exciton states are obtained from an exact diagonalization. We found that the presence of the inner layer covering the ring opening enhances the excitonic Aharonov-Bohm (AB) oscillations. The reason is that the hole becomes mainly localized in the inner part of the quantum dot due to strain, whereas the electron resides mainly inside the ring-shaped rim. Interestingly, larger AB oscillations are found in the analyzed quantum dot than in a fully opened quantum ring of the same width. Comparison with the unstrained ringlike quantum dot shows that the amplitude of the excitonic Aharonov-Bohm oscillations are almost doubled in the presence of strain. The computed oscillations of the exciton energy levels are comparable in magnitude to the oscillations measured in recent experiments. DOI: 10.1103/PhysRevB.87.085314 | ||||
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| Language | Wos | 000315278000003 | Publication Date | 2013-02-25 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121;1550-235X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 18 | Open Access | |
| Notes | ; This work was supported by the EU NoE: SANDiE, the Ministry of Education, Science, and Technological Development of Serbia, and the Flemish Science Foundation (FWO-Vl). ; | Approved |
Most recent IF: 3.836; 2013 IF: 3.664 | ||
| Call Number | UA @ lucian @ c:irua:107656 | Serial | 3165 | ||
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| Author | Zhang, S.H.; Xu, W.; Peeters, F.M.; Badalyan, S.M. | ||||
| Title | Electron energy and temperature relaxation in graphene on a piezoelectric substrate | Type | A1 Journal article | ||
| Year | 2014 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 89 | Issue | 19 | Pages | 195409 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We study the energy and temperature relaxation of electrons in graphene on a piezoelectric substrate. Scattering from the combined potential of extrinsic piezoelectric surface acoustical (PA) phonons of the substrate and intrinsic deformation acoustical phonons of graphene is considered for a (non) degenerate gas of Dirac fermions. It is shown that in the regime of low energies or temperatures the PA phonons dominate the relaxation and change qualitatively its character. This prediction is relevant for quantum metrology and electronic applications using graphene devices and suggests an experimental setup for probing electron-phonon coupling in graphene. | ||||
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| Language | Wos | 000336000400008 | Publication Date | 2014-05-09 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121;1550-235X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 18 | Open Access | |
| Notes | ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program of the Flemish government. ; | Approved |
Most recent IF: 3.836; 2014 IF: 3.736 | ||
| Call Number | UA @ lucian @ c:irua:117675 | Serial | 928 | ||
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