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Author | Akkerman, Q.A.; Bladt, E.; Petralanda, U.; Dang, Z.; Sartori, E.; Baranov, D.; Abdelhady, A.L.; Infante, I.; Bals, S.; Manna, L. | ||||
Title | Fully inorganic Ruddlesden-Popper double CI-I and triple CI-Br-I lead halide perovskite nanocrystals | Type | A1 Journal article | ||
Year | 2019 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 31 | Issue | 31 | Pages | 2182-2190 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The vast majority of lead halide perovskite (LHP) nanocrystals (NCs) are currently based on either a single halide composition (CsPbCl3, CsPbBr3, and CsPbI3) or an alloyed mixture of bromide with either Cl- or I- [i.e., CsPb(Br:Cl)(3) or CsPb(Br:I)(3)]. In this work, we present the synthesis as well as a detailed optical and structural study of two halide alloying cases that have not previously been reported for LHP NCs: Cs2PbI2Cl2 NCs and triple halide CsPb(Cl:Br:I)(3) NCs. In the case of Cs2PbI2Cl2, we observe for the first time NCs with a fully inorganic Ruddlesden-Popper phase (RPP) crystal structure. Unlike the well-explored organic-inorganic RPP, here, the RPP formation is triggered by the size difference between the halide ions. These NCs exhibit a strong excitonic absorption, albeit with a weak photoluminescence quantum yield (PLQY). In the case of the triple halide CsPb(Cl:Br:I)(3) composition, the NCs comprise a CsPbBr2Cl perovskite crystal lattice with only a small amount of incorporated iodide, which segregates at RPP planes' interfaces within the CsPb(Cl:Br:I)(3) NCs. Supported by density functional theory calculations and postsynthetic surface treatments to enhance the PLQY, we show that the combination of iodide segregation and defective RPP interfaces are most likely linked to the strong PL quenching observed in these nanostructures. In summary, this work demonstrates the limits of halide alloying in LHP NCs because a mixture that contains halide ions of very different sizes leads to the formation of defective RPP interfaces and a severe quenching of LHP NC's optical properties. | ||||
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Language | Wos | 000462950400038 | Publication Date ![]() |
2019-03-04 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.466 | Times cited | 58 | Open Access | OpenAccess |
Notes | ; Q.A.A. and L.M. acknowledge funding from the European Union Seventh Framework Programme under grant agreement no. 614897 (ERC Consolidator Grant “TRANS-NANO”). The work of D.B. was supported by the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement no. 794560. E.B. and S.B. acknowledge funding from the Research Foundation Flanders (G.038116N, G.03691, and funding of a postdoctoral grant to E.B.). I.I. acknowledges The Netherlands Organization of Scientific Research (NWO) for financial support through the Innovational Research Incentive (Vidi) Scheme (grant no. 723.013.002). The computational work was carried out on the Dutch national e-infrastructure with the support of the SURF Cooperative. ; | Approved | Most recent IF: 9.466 | ||
Call Number | UA @ admin @ c:irua:159414 | Serial | 5250 | ||
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Author | Kontogiannidou, E.; Karavasili, C.; Kouskoura, M.G.; Filippousi, M.; Van Tendeloo, G.; Andreadis, I.I.; Eleftheriadis, G.K.; Kontopoulou, I.; Markopoulou, C.K.; Bouropoulos, N.; Fatouros, D.G. | ||||
Title | In vitro and ex vivo assessment of microporous Faujasite zeolite (NaX-FAU) as a carrier for the oral delivery of danazol | Type | A1 Journal article | ||
Year | 2019 | Publication | Journal of drug delivery science and technology | Abbreviated Journal | J Drug Deliv Sci Tec |
Volume | 51 | Issue | 51 | Pages | 177-184 |
Keywords | A1 Journal article; Pharmacology. Therapy; Electron microscopy for materials research (EMAT) | ||||
Abstract | Microporous zeolite NaX-FAU has been systemically evaluated for the oral delivery of the poorly water-soluble compound danazol. For this purpose, danazol-loaded zeolitic particles were prepared by the incipient wetness method and were characterized by means of N-2 physisorption, X-ray diffraction (XRD), differential scanning calorimetry (DSC), thermogravimetric analysis (TGA) and high-resolution transmission electron microscopy (HRTEM). The zeolitic formulation shows a high drug payload and drug stability over a period of six months under accelerated storage conditions. The dissolution profile of danazol-loaded zeolitic particles was assessed in simulated gastric fluid (SGF) pH 1.2; fasted state simulated intestinal fluids (FaSSIF) and fed state simulated intestinal fluid (FeSSIF) showing a gradual and increasing drug dissolution in the different media. Ex vivo studies using the everted gut sac model show an increased drug transport across rat intestinal epithelium when loaded in the zeolitic particles. Our results suggest that microporous Faujasite zeolite (NaX-FAU) could be used as a drug delivery system to facilitate the oral delivery of poorly water soluble compounds. | ||||
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Language | Wos | 000468750300018 | Publication Date ![]() |
2019-03-04 | |
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ISSN | 1773-2247; 2588-8943 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.194 | Times cited | 3 | Open Access | Not_Open_Access: Available from 27.08.2020 |
Notes | ; This research was supported by General Secretariat for Research and Technology, Greece – Research Program “Excellence II, 4766”. The authors acknowledge financial support from the European Union under the Seventh Framework Program (Integrated Infrastructure Initiative No. 262348 European Soft Matter Infrastructure, ESMI). ; | Approved | Most recent IF: 1.194 | ||
Call Number | UA @ admin @ c:irua:160279 | Serial | 5252 | ||
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Author | Srivastava, A.; Van Passel, S.; Laes, E. | ||||
Title | Dissecting demand response : a quantile analysis of flexibility, household attitudes, and demographics | Type | A1 Journal article | ||
Year | 2019 | Publication | Energy Research and Social Science | Abbreviated Journal | |
Volume | 52 | Issue | 52 | Pages | 169-180 |
Keywords | A1 Journal article; Economics; Engineering Management (ENM) | ||||
Abstract | Demand response (DR) can aid with grid integration of renewables, ensuring security of supply, and reducing generation costs. However, not enough is known about how residential customers’ perceptions of DR shape their response to such programs. This paper offers a deeper understanding of – and reveals the heterogeneity in – this relationship by conducting a quantile regression analysis of a Belgian DR trial, combining data on response with information on household attitudes towards smart appliances. Results overall suggest that improving response requires subtle shifts in electricity consumption behaviour, which can be achieved through changes in user perceptions. Specifically, if customers are inclined to be flexible, a stronger perception of smart appliances as being beneficial can greatly improve response. With those who are less flexible, the cost of smart appliances is a bigger concern. Thus, when designing DR programs, policymakers should aim to promote modest behaviour changes – so as to minimise inconvenience – in customers, by improving awareness on the benefits of smart appliances. Uptake of such DR programs may be improved by explaining the financial benefits or offering incentives to less flexible population segments. Lastly, improving response among older population segments will require a deeper investigation into their concerns. | ||||
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Language | Wos | 000468215900016 | Publication Date ![]() |
2019-03-04 | |
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ISSN | 2214-6296 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | Times cited | 1 | Open Access | ||
Notes | ; This work continued on the results and data of the project Linear that was supported by the Flemish Ministry of Science and organised by the Institute for Science and Technology (IWT). The authors gratefully acknowledge the support extended by Wim Cardinaels at VITO in helping them access the underlying Linear data. ; | Approved | Most recent IF: NA | ||
Call Number | UA @ admin @ c:irua:158910 | Serial | 6183 | ||
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Author | Tonkikh, A.A.; Tsebro, V.I.; Obraztsova, E.A.; Rybkovskiy, D.V.; Orekhov, A.S.; Kondrashov, I.I.; Kauppinen, E.I.; Chuvilin, A.L.; Obraztsova, E.D. | ||||
Title | Films of filled single-wall carbon nanotubes as a new material for high-performance air-sustainable transparent conductive electrodes operating in a wide spectral range | Type | A1 Journal article | ||
Year | 2019 | Publication | Nanoscale | Abbreviated Journal | Nanoscale |
Volume | 11 | Issue | 14 | Pages | 6755-6765 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | In this paper we show the advantages of transparent high conductive films based on filled single-wall carbon nanotubes. The nanotubes with internal channels filled with acceptor molecules (copper chloride or iodine) form networks demonstrating significantly improved characteristics. Due to the charge transfer between the nanotubes and filler, the doped-nanotube films exhibit a drop in electrical sheet resistance of an order of magnitude together with a noticeable increase of film transparency in the visible and near-infrared spectral range. The thermoelectric power measurements show a significant improvement of air-stability of the nanotube network in the course of the filling procedure. For the nanotube films with an initial transparency of 87% at 514 nm and electrical sheet resistance of 862 Ohm sq(-1) we observed an improvement of transparency up to 91% and a decrease of sheet resistance down to 98 Ohm sq(-1). The combination of the nanotube synthesis technique and molecules for encapsulation has been optimized for applications in optoelectronics. | ||||
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Language | Wos | 000464454400024 | Publication Date ![]() |
2019-03-05 | |
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ISSN | 2040-3364 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 7.367 | Times cited | 2 | Open Access | Not_Open_Access: Available from 06.09.2019 |
Notes | ; The work was supported by the RFBR project 18-29-19113-mk, grant no. 311533 of Academy of Finland, Russian Federation President Program for young scientist MK-3140.2018.2. Also, the reported study was funded by RFBR and Moscow city Government according to the research project no. 19-32-70004. TEM measurements were performed with financial support from the Ministry of Science and Higher Education of the Russian Federation within the state assignment for the Federal Scientific Research Centre “Crystallography and Photonics” of the Russian Academy of Sciences. ; | Approved | Most recent IF: 7.367 | ||
Call Number | UA @ admin @ c:irua:159339 | Serial | 5249 | ||
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Author | Zhang, G.; Zhou, Y.; Korneychuk, S.; Samuely, T.; Liu, L.; May, P.W.; Xu, Z.; Onufriienko, O.; Zhang, X.; Verbeeck, J.; Samuely, P.; Moshchalkov, V.V.; Yang, Z.; Rubahn, H.-G. | ||||
Title | Superconductor-insulator transition driven by pressure-tuned intergrain coupling in nanodiamond films | Type | A1 Journal article | ||
Year | 2019 | Publication | Physical review materials | Abbreviated Journal | |
Volume | 3 | Issue | 3 | Pages | 034801 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | We report on the pressure-driven superconductor-insulator transition in heavily boron-doped nanodiamond films. By systematically increasing the pressure, we suppress the Josephson coupling between the superconducting nanodiamond grains. The diminished intergrain coupling gives rise to an overall insulating state in the films, which is interpreted in the framework of a parallel-series circuit model to be the result of bosonic insulators with preserved localized intragrain superconducting order parameters. Our investigation opens up perspectives for the application of high pressure in research on quantum confinement and coherence. Our data unveil the percolative nature of the electrical transport in nanodiamond films, and highlight the essential role of grain boundaries in determining the electronic properties of this material. | ||||
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Language | Wos | 000460684600002 | Publication Date ![]() |
2019-03-05 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 2475-9953 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.926 | Times cited | 5 | Open Access | Not_Open_Access |
Notes | ; Y.Z. and Z.Y. acknowledge support from the National Key Research and Development Program of China (Grants No. 2018YFA0305700 and No. 2016YFA0401804), the National Natural Science Foundation of China (Grants No. 11574323, No. 11704387, and No. U1632275), the Natural Science Foundation of Anhui Province (Grants No. 1708085QA19 and No. 1808085MA06), and the Director's Fund of Hefei Institutes of Physical Science, Chinese Academy of Sciences (YZJJ201621). J.V. and S.K. acknowledge funding from the GOA project “Solarpaint” of the University of Antwerp, and thank the FWO (Research Foundation-Flanders) for financial support under Contract No. G.0044.13N “Charge ordering”. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. T.S., O.O., and P.S. are supported by APVV-0036-11, APVV-0605-14, VEGA 1/0409/15, VEGA 2/0149/16, and EU ERDF-ITMS 26220120005. L.L. acknowledges the financial support of a FWO postdoctoral research fellowship (12V4419N) and the KU Leuven C1 project OPTIPROBE (C14/16/ 063). ; | Approved | Most recent IF: NA | ||
Call Number | UA @ admin @ c:irua:158561 | Serial | 5260 | ||
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Author | Gonzalez-Garcia, A.; Lopez-Perez, W.; Gonzalez-Hernandez, R.; Rodriguez, J.A.; Milošević, M.V.; Peeters, F.M. | ||||
Title | Tunable 2D-gallium arsenide and graphene bandgaps in a graphene/GaAs heterostructure : an ab initio study | Type | A1 Journal article | ||
Year | 2019 | Publication | Journal of physics : condensed matter | Abbreviated Journal | J Phys-Condens Mat |
Volume | 31 | Issue | 26 | Pages | 265502 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | The bandgap behavior of 2D-GaAs and graphene have been investigated with van der Waals heterostructured into a yet unexplored graphene/GaAs bilayer, under both uniaxial stress along c axis and different planar strain distributions. The 2D-GaAs bandgap nature changes from Gamma-K indirect in isolated monolayer to Gamma-Gamma direct in graphene/GaAs bilayer. In the latter, graphene exhibits a bandgap of 5 meV. The uniaxial stress strongly affects the graphene electronic bandgap, while symmetric in-plane strain does not open the bandgap in graphene. Nevertheless, it induces remarkable changes on the GaAs bandgap-width around the Fermi level. However, when applying asymmetric in-plane strain to graphene/GaAs, the graphene sublattice symmetry is broken, and the graphene bandgap is open at the Fermi level to a maximum width of 814 meV. This value is much higher than that reported for just graphene under asymmetric strain. The Gamma-Gamma direct bandgap of GaAs remains unchanged in graphene/ GaAs under different types of applied strain. The analyses of phonon dispersion and the elastic constants yield the dynamical and mechanical stability of the graphene/GaAs system, respectively. The calculated mechanical properties for bilayer heterostructure are better than those of their constituent monolayers. This finding, together with the tunable graphene bandgap not only by the strength but also by the direction of the strain, enhance the potential for strain engineering of ultrathin group-III-V electronic devices hybridized by graphene. | ||||
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Language | Wos | 000465887100001 | Publication Date ![]() |
2019-03-06 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 0953-8984 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.649 | Times cited | 10 | Open Access | |
Notes | ; This work has been carried out with 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; and the partial support of DGAPA-UNAM project IN114817-3. The authors gratefully acknowledge the support from the High Performance Computing core facility CalcUA and the TOPBOF project at the University of Antwerp, Belgium; DGTIC-UNAM under project LANCAD-UNAM-DGTIC-150, and the computing time granted on the supercomputer Mogon at Johannes Gutenberg University Mainz (hpc.uni-mainz.de). ; | Approved | Most recent IF: 2.649 | ||
Call Number | UA @ admin @ c:irua:160216 | Serial | 5236 | ||
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Author | Bouwmeester, R.L.; de Hond, K.; Gauquelin, N.; Verbeeck, J.; Koster, G.; Brinkman, A. | ||||
Title | Stabilization of the perovskite phase in the Y-Bi-O system by using a BaBiO₃ buffer layer | Type | A1 Journal article | ||
Year | 2019 | Publication | Physica status solidi: rapid research letters | Abbreviated Journal | |
Volume | 13 | Issue | 7 | Pages | 1800679 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | A topological insulating phase has theoretically been predicted for the thermodynamically unstable perovskite phase of YBiO3. Here, it is shown that the crystal structure of the Y-Bi-O system can be controlled by using a BaBiO3 buffer layer. The BaBiO3 film overcomes the large lattice mismatch of 12% with the SrTiO3 substrate by forming a rocksalt structure in between the two perovskite structures. Depositing an YBiO3 film directly on a SrTiO3 substrate gives a fluorite structure. However, when the Y-Bi-O system is deposited on top of the buffer layer with the correct crystal phase and comparable lattice constant, a single oriented perovskite structure with the expected lattice constants is observed. | ||||
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Language | Wos | 000477671800005 | Publication Date ![]() |
2019-03-06 | |
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 | Times cited | 11 | Open Access | ||
Notes | The work at the University of Twente is financially supported by NWO through a VICI grant. N.G. and J.V. acknowledge financial support from the GOA project “Solarpaint” of the University of Antwerp. The microscope used for this experiment has been partially financed by the Hercules Fund from the Flemish Government. L. Ding is acknowledge for his help with the GPA analysis. | Approved | no | ||
Call Number | UA @ admin @ c:irua:181236 | Serial | 6889 | ||
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Author | Menezes, R.M.; Mulkers, J.; de Souza Silva, C.C.; Milošević, M.V. | ||||
Title | Deflection of ferromagnetic and antiferromagnetic skyrmions at heterochiral interfaces | Type | A1 Journal article | ||
Year | 2019 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
Volume | 99 | Issue | 10 | Pages | 104409 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Devising magnetic nanostructures with spatially heterogeneous Dzyaloshinskii-Moriya interaction (DMI) is a promising pathway toward advanced confinement and control of magnetic skyrmions in potential devices. Here we discuss theoretically how a skyrmion interacts with a heterochiral interface using micromagnetic simulations and analytic arguments. We show that a heterochiral interface deflects the trajectory of ferromagnetic (FM) skyrmions, and that the extent of such deflection is tuned by the applied spin-polarized current and the difference in DMI across the interface. Further, we show that this deflection is characteristic of the FM skyrmion, and it is completely absent in the antiferromagnetic (AFM) case. In turn, we reveal that the AFM skyrmion achieves much higher velocities than its FM counterpart, yet experiences far stronger confinement in nanoengineered heterochiral tracks, which reinforces AFM skyrmions as a favorable choice for skyrmion-based devices. | ||||
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Language | Wos | 000460720600005 | Publication Date ![]() |
2019-03-07 | |
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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 | 19 | Open Access | |
Notes | ; This work was supported by the Research Foundation-Flanders (FWO-Vlaanderen) and Brazilian Agencies FACEPE under Grant No. APQ-0198-1.05/14, CAPES and CNPq. ; | Approved | Most recent IF: 3.836 | ||
Call Number | UA @ admin @ c:irua:158557 | Serial | 5203 | ||
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Author | Müller-Caspary, K.; Grieb, T.; Müßener, J.; Gauquelin, N.; Hille, P.; Schörmann, J.; Verbeeck, J.; Van Aert, S.; Eickhoff, M.; Rosenauer, A. | ||||
Title | Electrical Polarization in AlN/GaN Nanodisks Measured by Momentum-Resolved 4D Scanning Transmission Electron Microscopy | Type | A1 Journal article | ||
Year | 2019 | Publication | Physical review letters | Abbreviated Journal | Phys Rev Lett |
Volume | 122 | Issue | 10 | Pages | 106102 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | We report the mapping of polarization-induced internal electric fields in AlN/GaN nanowire heterostructures at unit cell resolution as a key for the correlation of optical and structural phenomena in semiconductor optoelectronics. Momentum-resolved aberration-corrected scanning transmission electron microscopy is employed as a new imaging mode that simultaneously provides four-dimensional data in real and reciprocal space. We demonstrate how internal mesoscale and atomic electric fields can be separated in an experiment, which is verified by comprehensive dynamical simulations of multiple electron scattering. A mean difference of 5.3 +- 1.5 MV/cm is found for the polarization-induced electric fields in AlN and GaN, being in accordance with dedicated simulations and photoluminescence measurements in previous publications. | ||||
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Language | Wos | 000461067700007 | Publication Date ![]() |
2019-03-11 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 0031-9007 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 8.462 | Times cited | 26 | Open Access | OpenAccess |
Notes | The authors gratefully acknowledge the help of Natalie Claes for analyzing the EDX data. K. M.-C. acknowledges funding from the Initiative and Network Fund of the Helmholtz Association within the Helmholtz Young Investigator Group moreSTEM under Contract No. VHNG- 1317 at Forschungszentrum Jülich in Germany. The direct electron detector (Medipix3, Quantum Detectors) was funded by the Hercules fund from the Flemish Government. N. G. and J. V. acknowledge funding from the Geconcentreerde Onderzoekacties project Solarpaint of the University of Antwerp. T. G. and A. R. acknowledge support from the Deutsche Forschungsgemeinschaft (Germany) under Contract No. RO2057/8-3. This work also received funding from the European Research Council under the European Union’s Horizon 2020 research and innovation programme (Contract No. 770887). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project funding (G.0368.15N).; Helmholtz Association, VH-NG-1317 ; Forschungszentrum Jülich; Flemish Government; Universiteit Antwerpen; Deutsche Forschungsgemeinschaft, RO2057/8-3 ; H2020 European Research Council, 770887 ; Fonds Wetenschappelijk Onderzoek, G.0368.15N ; | Approved | Most recent IF: 8.462 | ||
Call Number | UA @ lucian @UA @ admin @ c:irua:158120 | Serial | 5157 | ||
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Author | Kim, Y.; Che, F.; Jo, J.W.; Choi, J.; de Arquer, F.P.G.; Voznyy, O.; Sun, B.; Kim, J.; Choi, M.-J.; Quintero-Bermudez, R.; Fan, F.; Tan, C.S.; Bladt, E.; Walters, G.; Proppe, A.H.; Zou, C.; Yuan, H.; Bals, S.; Hofkens, J.; Roeffaers, M.B.J.; Hoogland, S.; Sargent, E.H. | ||||
Title | A Facet-Specific Quantum Dot Passivation Strategy for Colloid Management and Efficient Infrared Photovoltaics | Type | A1 Journal article | ||
Year | 2019 | Publication | Advanced materials | Abbreviated Journal | Adv Mater |
Volume | 31 | Issue | 31 | Pages | 1805580 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Colloidal nanocrystals combine size- and facet-dependent properties with solution processing. They offer thus a compelling suite of materials for technological applications. Their size- and facet-tunable features are studied in synthesis; however, to exploit their features in optoelectronic devices, it will be essential to translate control over size and facets from the colloid all the way to the film. Larger-diameter colloidal quantum dots (CQDs) offer the attractive possibility of harvesting infrared (IR) solar energy beyond absorption of silicon photovoltaics. These CQDs exhibit facets (nonpolar (100)) undisplayed in small-diameter CQDs; and the materials chemistry of smaller nanocrystals fails consequently to translate to materials for the short-wavelength IR regime. A new colloidal management strategy targeting the passivation of both (100) and (111) facets is demonstrated using distinct choices of cations and anions. The approach leads to narrow-bandgap CQDs with impressive colloidal stability and photoluminescence quantum yield. Photophysical studies confirm a reduction both in Stokes shift (approximate to 47 meV) and Urbach tail (approximate to 29 meV). This approach provides a approximate to 50% increase in the power conversion efficiency of IR photovoltaics compared to controls, and a approximate to 70% external quantum efficiency at their excitonic peak. | ||||
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Language | Wos | 000465600000001 | Publication Date ![]() |
2019-03-12 | |
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ISSN | 0935-9648 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 19.791 | Times cited | 74 | Open Access | OpenAccess |
Notes | ; Y.K., F.C., J.W.J., and J.C. contributed equally. This work was supported by King Abdullah University of Science and Technology (KAUST, Office of Sponsored Research (OSR), Award No. OSR-2017-CPF-3325) and Ontario Research Fund-Research Excellence program (ORF7-Ministry of Research and Innovation, Ontario Research Fund-Research Excellence Round 7). E.B. gratefully acknowledges financial support by the Research Foundation-Flanders (FWO Vlaanderen). Y.K. received financial support from the DGIST R&D Programs of the Ministry of Science, ICT & Future Planning of Korea (18-ET-01). M.B.J.R. and J.H. acknowledge financial support from the Research Foundation-Flanders (FWO, grants nr ZW15_09-GOH6316 and G.098319N) and the Flemish government through long-term structural funding Methusalem (CASAS2, Meth/15/04). H.Y. acknowledges the Research Foundation-Flanders (FWO) for a postdoctoral fellowship. The authors thank L. Levina, R. Wolowiec, D. Kopilovic, and E. Palmiano for their technical help over the course of this research. ; | Approved | Most recent IF: 19.791 | ||
Call Number | UA @ admin @ c:irua:160392 | Serial | 5239 | ||
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Author | Yin, C.; Krishnan, D.; Gauquelin, N.; Verbeeck, J.; Aarts, J. | ||||
Title | Controlling the interfacial conductance in LaAlO3/SrTiO3 in 90 degrees off-axis sputter deposition | Type | A1 Journal article | ||
Year | 2019 | Publication | Physical review materials | Abbreviated Journal | |
Volume | 3 | Issue | 3 | Pages | 034002 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | We report on the fabrication of conducting interfaces between LaAlO3 and SrTiO3 by 90 degrees off-axis sputtering in an Ar atmosphere. At a growth pressure of 0.04 mbar the interface is metallic, with a carrier density of the order of 1 x 10(13) cm(-2) at 3 K. By increasing the growth pressure, we observe an increase of the out-of-plane lattice constants of the LaAlO3 films while the in-plane lattice constants do not change. Also, the low-temperature sheet resistance increases with increasing growth pressure, leading to an insulating interface when the growth pressure reaches 0.10 mbar. We attribute the structural variations to an increase of the La/Al ratio, which also explains the transition from metallic behavior to insulating behavior of the interfaces. Our research shows that the control which is furnished by the Ar pressure makes sputtering as versatile a process as pulsed laser deposition, and emphasizes the key role of the cation stoichiometry of LaAlO3 in the formation of the conducting interface. | ||||
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Language | Wos | 000461077100002 | Publication Date ![]() |
2019-03-12 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2475-9953 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.926 | Times cited | 4 | Open Access | Not_Open_Access |
Notes | ; We thank Nikita Lebedev, Aymen Ben Hamida, and Prateek Kumar for useful discussions and Giordano Mattoni, Jun Wang, Vincent Joly, and Hozanna Miro for their technical assistance. We also thank Jean-Marc Triscone and his group for sharing their design of the sputtering system with us. This work is part of the FOM research programme DESCO with Project No. 149, which is (partly) financed by the Netherlands Organisation for Scientific Research (NWO). C.Y. is supported by China Scholarship Council (CSC) with Grant No. 201508110214. N.G., D.K., and J.V. acknowledge financial support from the GOA project “Solarpaint” of the University of Antwerp. ; | Approved | Most recent IF: NA | ||
Call Number | UA @ admin @ c:irua:158547 | Serial | 5243 | ||
Permanent link to this record | |||||
Author | Bal, K.M.; Neyts, E.C. | ||||
Title | Overcoming Old Scaling Relations and Establishing New Correlations in Catalytic Surface Chemistry: Combined Effect of Charging and Doping | 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 | 10 | Pages | 6141-6147 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Optimization of catalytic materials for a given application is greatly constrained by linear scaling relations. Recently, however, it has been demonstrated that it is possible to reversibly modulate the chemisorption of molecules on nanomaterials by charging (i.e., injection or removal of electrons) and hence reversibly and selectively modify catalytic activity beyond structure−activity correlations. The fundamental physical relation between the properties of the material, the charging process, and the chemisorption energy, however, remains unclear, and a systematic exploration and optimization of charge-switchable sorbent materials is not yet possible. Using hybrid DFT calculations of CO2 chemisorption on hexagonal boron nitride nanosheets with several types of defects and dopants, we here reveal the existence of fundamental correlations between the electron affinity of a material and charge-induced chemisorption, show how defect engineering can be used to modulate the strength and efficiency of the adsorption process, and demonstrate that excess electrons stabilize many topological defects. We then show how these insights could be exploited in the development of new electrocatalytic materials and the synthesis of doped nanomaterials. Moreover, we demonstrate that calculated chemical properties of charged materials are highly sensitive to the employed computational methodology because of the self-interaction error, which underlines the theoretical challenge posed by such systems. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000461537400035 | Publication Date ![]() |
2019-03-14 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1932-7447 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.536 | Times cited | 5 | Open Access | Not_Open_Access: Available from 21.02.2020 |
Notes | Fonds Wetenschappelijk Onderzoek, 11V8915N ; | Approved | Most recent IF: 4.536 | ||
Call Number | PLASMANT @ plasmant @UA @ admin @ c:irua:158117 | Serial | 5160 | ||
Permanent link to this record | |||||
Author | Vanderkerckhove, T.G.L.; Kerckhof, F.-M.; De Mulder, C.; Vlaeminck, S.E.; Boon, N. | ||||
Title | Determining stoichiometry and kinetics of two thermophilic nitrifying communities as a crucial step in the development of thermophilic nitrogen removal | Type | A1 Journal article | ||
Year | 2019 | Publication | Water research | Abbreviated Journal | |
Volume | 156 | Issue | Pages | 34-45 | |
Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | Nitrification and denitrification, the key biological processes for thermophilic nitrogen removal, have separately been established in bioreactors at 50 °C. A well-characterized set of kinetic parameters is essential to integrate these processes while safeguarding the autotrophs performing nitrification. Knowledge on thermophilic nitrifying kinetics is restricted to isolated or highly enriched batch cultures, which do not represent bioreactor conditions. This study characterized the stoichiometry and kinetics of two thermophilic (50 °C) nitrifying communities. The most abundant ammonia oxidizing archaea (AOA) were related to the Nitrososphaera genus, clustering relatively far from known species Nitrososphaera gargensis (95.5% 16S rRNA gene sequence identity). The most abundant nitrite oxidizing bacteria (NOB) were related to Nitrospira calida (97% 16S rRNA gene sequence identity). The nitrification biomass yield was 0.200.24 g VSS g−1 N, resulting mainly from a high AOA yield (0.160.20 g VSS g−1 N), which was reflected in a high AOA abundance in the community (5776%) compared to NOB (511%). Batch-wise determination of decay rates (AOA: 0.230.29 d−1; NOB: 0.320.43 d−1) rendered an overestimation compared to in situ estimations of overall decay rate (0.0260.078 d−1). Possibly, the inactivation rate rather than the actual decay rate was determined in batch experiments. Maximum growth rates of AOA and NOB were 0.120.15 d−1 and 0.130.33 d−1 respectively. NOB were susceptible to nitrite, opening up opportunities for shortcut nitrogen removal. However, NOB had a similar growth rate and oxygen affinity (0.150.55 mg O2 L−1) as AOA and were resilient towards free ammonia (IC50 > 16 mg NH3-N L−1). This might complicate NOB outselection using common practices to establish shortcut nitrogen removal (SRT control; aeration control; free ammonia shocks). Overall, the obtained insights can assist in integrating thermophilic conversions and facilitate single-sludge nitrification/denitrification. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000466618400004 | Publication Date ![]() |
2019-03-14 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0043-1354; 1879-2448 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:158226 | Serial | 7798 | ||
Permanent link to this record | |||||
Author | Aslani, Z.; Sisakht, E.T.; Fazileh, F.; Ghorbanfekr-Kalashami, H.; Peeters, F.M. | ||||
Title | Conductance fluctuations of monolayer GeSnH2$ in the topological phase using a low-energy effective tight-binding Hamiltonian | Type | A1 Journal article | ||
Year | 2019 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
Volume | 99 | Issue | 11 | Pages | 115421 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | An effective tight-binding (TB) Hamiltonian for monolayer GeSnH2 is constructed which has an inversion-asymmetric honeycomb structure. The low-energy band structure of our TB model agrees very well with previous ab initio calculations even under biaxial tensile strain. Our model predicts a phase transition at 7.5% biaxial tensile strain in agreement with DFT calculations. Upon 8.5% strain the system exhibits a band gap of 134 meV, suitable for room temperature applications. It is shown that an external applied magnetic field produces a special phase which is a combination of the quantum Hall (QH) and quantum spin Hall (QSH) phases; and at a critical magnetic field strength the QSH phase completely disappears. The topological nature of the phase transition is confirmed from: (1) the calculation of the Z(2) topological invariant, and (2) quantum transport properties of disordered GeSnH2 nanoribbons which allows us to determine the universality class of the conductance fluctuations. The application of an external applied magnetic field reduces the conductance fluctuations by a factor of root 2. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000461958900006 | Publication Date ![]() |
2019-03-15 | |
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 | 3 | Open Access | |
Notes | ; This work was supported by the FLAG-ERA project TRANS-2D-TMD. ; | Approved | Most recent IF: 3.836 | ||
Call Number | UA @ admin @ c:irua:158538 | Serial | 5199 | ||
Permanent link to this record | |||||
Author | Marikutsa, A.; Rumyantseva, M.; Gaskov, A.; Batuk, M.; Hadermann, J.; Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D. | ||||
Title | Effect of zinc oxide modification by indium oxide on microstructure, adsorbed surface species, and sensitivity to CO | Type | A1 Journal article | ||
Year | 2019 | Publication | Frontiers in materials | Abbreviated Journal | |
Volume | 6 | Issue | 6 | Pages | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
Abstract | Additives in semiconductor metal oxides are commonly used to improve sensing behavior of gas sensors. Due to complicated effects of additives on the materials microstructure, adsorption sites and reactivity to target gases the sensing mechanism with modified metal oxides is a matter of thorough research. Herein, we establish the promoting effect of nanocrystalline zinc oxide modification by 1-7 at.% of indium on the sensitivity to CO gas due to improved nanostructure dispersion and concentration of active sites. The sensing materials were synthesized via an aqueous coprecipitation route. Materials composition, particle size and BET area were evaluated using X-ray diffraction, nitrogen adsorption isotherms, high-resolution electron microscopy techniques and EDX-mapping. Surface species of chemisorbed oxygen, OH-groups, and acid sites were characterized by probe molecule techniques and infrared spectroscopy. It was found that particle size of zinc oxide decreased and the BET area increased with the amount of indium oxide. The additive was observed as amorphous indium oxide segregated on agglomerated ZnO nanocrystals. The measured concentration of surface species was higher on In2O3-modified zinc oxide. With the increase of indium oxide content, the sensor response of ZnO/In2O3 to CO was improved. Using in situ infrared spectroscopy, it was shown that oxidation of CO molecules was enhanced on the modified zinc oxide surface. The effect of modifier was attributed to promotion of surface OH-groups and enhancement of CO oxidation on the segregated indium ions, as suggested by DFT in previous work. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000461540600001 | Publication Date ![]() |
2019-03-15 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2296-8016 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 11 | Open Access | OpenAccess | |
Notes | ; Research was supported by the grant from Russian Science Foundation (project No. 18-73-00071). ; | Approved | Most recent IF: NA | ||
Call Number | UA @ admin @ c:irua:158540 | Serial | 5205 | ||
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Author | Liu, M.; Yi, Y.; Wang, L.; Guo, H.; Bogaerts, A | ||||
Title | Hydrogenation of Carbon Dioxide to Value-Added Chemicals by Heterogeneous Catalysis and Plasma Catalysis | Type | A1 Journal article | ||
Year | 2019 | Publication | Catalysts | Abbreviated Journal | Catalysts |
Volume | 9 | Issue | 3 | Pages | 275 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Due to the increasing emission of carbon dioxide (CO2), greenhouse effects are becoming more and more severe, causing global climate change. The conversion and utilization of CO2 is one of the possible solutions to reduce CO2 concentrations. This can be accomplished, among other methods, by direct hydrogenation of CO2, producing value-added products. In this review, the progress of mainly the last five years in direct hydrogenation of CO2 to value-added chemicals (e.g., CO, CH4, CH3OH, DME, olefins, and higher hydrocarbons) by heterogeneous catalysis and plasma catalysis is summarized, and research priorities for CO2 hydrogenation are proposed. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000465012800055 | Publication Date ![]() |
2019-03-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2073-4344 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.082 | Times cited | Open Access | OpenAccess | |
Notes | Fundamental Research Funds for the Central Universities of China , DUT18JC42 32249 ; National Natural Science Foundation of China , 21503032 ; PetroChina Innovation Foundation , 2018D-5007-0501 ; | Approved | Most recent IF: 3.082 | ||
Call Number | PLASMANT @ plasmant @UA @ admin @ c:irua:158094 | Serial | 5162 | ||
Permanent link to this record | |||||
Author | Sar, H.; Ozden, A.; Demiroglu, I.; Sevik, C.; Perkgoz, N.K.; Ay, F. | ||||
Title | Long-Term Stability Control of CVD-Grown Monolayer MoS2 | Type | A1 Journal article | ||
Year | 2019 | Publication | Physica status solidi: rapid research letters | Abbreviated Journal | |
Volume | 13 | Issue | 7 | Pages | 1800687 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | The structural stability of 2D transition metal dichalcogenide (TMD) formations is of particular importance for their reliable device performance in nano-electronics and opto-electronics. Recent observations show that the CVD-grown TMD monolayers are likely to encounter stability problems such as cracking or fracturing when they are kept under ambient conditions. Here, two different growth configurations are investigated and a favorable growth geometry is proposed, which also sheds light onto the growth mechanism and provides a solution for the stability and fracture formation issues for TMDs specifically for MoS2 monolayers. It is shown that 18 months naturally and thermally aged MoS2 monolayer flakes grown using specifically developed conditions, retain their stability. To understand the mechanism of the structural deterioration, two possible effective mechanisms, S vacancy defects and growth-induced tensile stress, are assessed by the first principle calculations where the role of S vacancy defects in obtaining oxidation resistant MoS2 monolayer flakes is revealed to be rather more critical. Hence, these simulations, time-dependent observations and thermal aging experiments show that durability and stability of 2D MoS2 flakes can be controlled by CVD growth configuration. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000477671800009 | Publication Date ![]() |
2019-03-18 | |
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 | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:193784 | Serial | 8184 | ||
Permanent link to this record | |||||
Author | Neek-Amal, M.; Rashidi, R.; Nair, R.R.; Neilson, D.; Peeters, F.M. | ||||
Title | Electric-field-induced emergent electrical connectivity in graphene oxide | Type | A1 Journal article | ||
Year | 2019 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
Volume | 99 | Issue | 11 | Pages | 115425 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Understanding the appearance of local electrical connectivity in liquid filled layered graphene oxide subjected to an external electric field is important to design electrically controlled smart permeable devices and also to gain insight into the physics behind electrical effects on confined water permeation. Motivated by recent experiments [K. G. Zhou et al. Nature (London) 559, 236 (2018)], we introduce a new model with random percolating paths for electrical connectivity in micron thick water filled layered graphene oxide, which mimics parallel resistors connected across the top and bottom electrodes. We find that a strong nonuniform radial electric field of the order similar to 10-50 mV/nm can be induced between layers depending on the current flow through the formed conducting paths. The maxima of the induced fields are not necessarily close to the electrodes and may be localized in the middle region of the layered material. The emergence of electrical connectivity and the associated electrical effects have a strong influence on the surrounding fluid in terms of ionization and wetting which subsequently determines the permeation properties. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000461960100001 | Publication Date ![]() |
2019-03-19 | |
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 | 3 | Open Access | |
Notes | ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; | Approved | Most recent IF: 3.836 | ||
Call Number | UA @ admin @ c:irua:158534 | Serial | 5206 | ||
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Author | Bogaerts, A.; Yusupov, M.; Razzokov, J.; Van der Paal, J. | ||||
Title | Plasma for cancer treatment: How can RONS penetrate through the cell membrane? Answers from computer modeling | Type | A1 Journal article | ||
Year | 2019 | Publication | Frontiers of Chemical Science and Engineering | Abbreviated Journal | Front Chem Sci Eng |
Volume | Issue | Pages | |||
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Plasma is gaining increasing interest for cancer treatment, but the underlying mechanisms are not yet fully understood. Using computer simulations at the molecular level, we try to gain better insight in how plasma-generated reactive oxygen and nitrogen species (RONS) can penetrate through the cell membrane. Specifically, we compare the permeability of various (hydrophilic and hydrophobic) RONS across both oxidized and nonoxidized cell membranes. We also study pore formation, and how it is hampered by higher concentrations of cholesterol in the cell membrane, and we illustrate the much higher permeability of H2O2 through aquaporin channels. Both mechanisms may explain the selective cytotoxic effect of plasma towards cancer cells. Finally, we also discuss the synergistic effect of plasma-induced oxidation and electric fields towards pore formation. Keywords plasma medicine, cancer treatment, computer modelling, cell membrane, reactive oxygen and nitrogen species |
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000468848400004 | Publication Date ![]() |
2019-03-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2095-0179 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.712 | Times cited | 5 | Open Access | Not_Open_Access: Available from 23.05.2020 |
Notes | We acknowledge financial support from the Research Foundation–Flanders (FWO; Grant Nos. 1200216N and 11U5416N). The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. We are also very thankful to R. Cordeiro for the very interesting discussions. | Approved | Most recent IF: 1.712 | ||
Call Number | PLASMANT @ plasmant @UA @ admin @ c:irua:159977 | Serial | 5172 | ||
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Author | de Aquino, B.R.H.; Ghorbanfekr-Kalashami, H.; Neek-Amal, M.; Peeters, F.M. | ||||
Title | Ionized water confined in graphene nanochannels | Type | A1 Journal article | ||
Year | 2019 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
Volume | 21 | Issue | 18 | Pages | 9285-9295 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | When confined between graphene layers, water behaves differently from the bulk and exhibits unusual properties such as fast water flow and ordering into a crystal. The hydrogen-bonded network is affected by the limited space and by the characteristics of the confining walls. The presence of an extraordinary number of hydronium and hydroxide ions in narrow channels has the following effects: (i) they affect water permeation through the channel, (ii) they may interact with functional groups on the graphene oxide surface and on the edges, and (iii) they change the thermochemistry of water, which are fundamentally important to understand, especially when confined water is subjected to an external electric field. Here we study the physical properties of water when confined between two graphene sheets and containing hydronium and hydroxide. We found that: (i) there is a disruption in the solvation structure of the ions, which is also affected by the layered structure of confined water, (ii) hydronium and hydroxide occupy specific regions inside the nanochannel, with a prevalence of hydronium (hydroxide) ions at the edges (interior), and (iii) ions recombine more slowly in confined systems than in bulk water, with the recombination process depending on the channel height and commensurability between the size of the molecules and the nanochannel height – a decay of 20% (40%) in the number of ions in 8 ps is observed for a channel height of h = 7 angstrom (bulk water). Our work reveals distinctive properties of water confined in a nanocapillary in the presence of additional hydronium and hydroxide ions. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000472922500028 | Publication Date ![]() |
2019-03-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1463-9076; 1463-9084 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.123 | Times cited | 10 | Open Access | |
Notes | ; This work was supported by the Fund for Scientific Research Flanders (FWO-Vl) and the Methusalem programe. ; | Approved | Most recent IF: 4.123 | ||
Call Number | UA @ admin @ c:irua:161377 | Serial | 5419 | ||
Permanent link to this record | |||||
Author | Klaassen, L.; van der Snickt, G.; Legrand, S.; Higgitt, C.; Spring, M.; Vanmeert, F.; Rosi, F.; Brunetti, B.G.; Postec, M.; Janssens, K. | ||||
Title | Characterization and removal of a disfiguring oxalate crust on a large altarpiece by Hans Memling | Type | H1 Book chapter | ||
Year | 2019 | Publication | Abbreviated Journal | ||
Volume | Issue | Pages | 263-282 T2 - Metal soaps in art / Casadio, F. [edi | ||
Keywords | H1 Book chapter; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES) | ||||
Abstract | During the conservation treatment of Memling’s Christ with Singing and Music-making Angels, three panel paintings that are among the most monumental works in early Netherlandish art, the conservators came across insoluble surface layers containing calcium oxalates. A very thin and irregular layer of this type, hardly visible to the naked eye, was spread across the surface of all three panels. A much thicker layer forming an opaque and highly disfiguring crust that obscured the composition (Figs. 15.1 and 15.7) was locally present on areas of dark copper-containing paint, where multiple layers of old discolored coatings and accretions remained in place before the most recent cleaning. This article describes the application of a wide range of analytical techniques in order to fully understand the stratigraphy and composition of the crusts on the Memling paintings. FTIR spectroscopy in transmission and reflection mode, micro-ATR-FTIR imaging and macro-rFTIR scanning, SEM-EDX, mobile XRD, and SR-μXRD showed that the crusts contained two related Ca-based oxalate salts, whewellite and weddellite, and were separated from the original paint surface by varnish, indicating that they did not originate from degradation of the original paint but from a combination of microbial action and a thick accumulation of dirt. Supported by the results from these different analytical techniques, which when used together proved to be very effective in providing complementary information that addressed this specific conservation problem, and aided by the presence of the intermediate varnish layer(s), the conservators were able to remove most of the crusts with spectacular results. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | Publication Date ![]() |
2019-03-23 | ||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | ISBN | 978-3-319-90616-4 | Additional Links | UA library record | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:190778 | Serial | 7609 | ||
Permanent link to this record | |||||
Author | Salvadó, N.; Butí, S.; Pradell, T.; Beltran, V.; Cinque, G.; Juanhuix, J. | ||||
Title | Identification and distribution of metal soaps and oxalates in oil and tempera paint layers in fifteenth-century altarpieces using synchrotron radiation Techniques | Type | H1 Book chapter | ||
Year | 2019 | Publication | Abbreviated Journal | ||
Volume | Issue | Pages | 195-210 T2 - Metal soaps in art : conservation and | ||
Keywords | H1 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | The formation and distribution of metal soaps produced as a result of the reactivity and aging of the materials in a fifteenth-century egg tempera and oil paintings on wood are presented. The painting technique involves the application of several paint layers over a ground using, sometimes in the same paint layer sequence, drying oil and egg yolk binders. We show, with a selection of examples, how the use of thin sections and a combination of various micro-sensitive analytical techniques is adequate to obtain the high-quality data necessary for the unambiguous identification of metal soaps and metal oxalates as well as their distribution in the paint layers. The techniques include micro infrared spectroscopy (μSR-FTIR) and micro X-ray diffraction (μSR-XRD) with synchrotron radiation, optical microscopy (OM), and scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDS). The data obtained sheds light about the underlying reaction and aging mechanisms happening in each paint layer and among them. This helps to define the state of conservation of the artworks. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | Publication Date ![]() |
2019-03-23 | ||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | ISBN | 978-3-319-90616-4; 2366-6226; 978-3-319-90617-1 | Additional Links | UA library record | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:172891 | Serial | 8051 | ||
Permanent link to this record | |||||
Author | Kong, X.; Li, L.; Peeters, F.M. | ||||
Title | Graphene-based heterostructures with moire superlattice that preserve the Dirac cone: a first-principles study | Type | A1 Journal article | ||
Year | 2019 | Publication | Journal of physics : condensed matter | Abbreviated Journal | J Phys-Condens Mat |
Volume | 31 | Issue | 25 | Pages | 255302 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | In van der Waals heterostructures consisting of graphene and a substrate, lattice mismatch often leads to a moire pattern with a huge supercell, preventing its treatment within first- principles calculations. Previous theoretical works considered mostly simple stacking models such as AB, AA with straining the lattice of graphene to match that of the substrate. Here, we propose a moire superlattice build from graphene and porous graphene or graphyne like monolayers, having a lower interlayer binding energy, needing little strain in order to match the lattices. In contrast to the results from the simple stacking models, the present ab initio calculations for the moire superlattices show different properties in lattice structure, energy, and band structures. For example, the Dirac cone at the K point is preserved and a linear energy dispersion near the Fermi level is obtained. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000464184300001 | Publication Date ![]() |
2019-03-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0953-8984 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.649 | Times cited | 5 | Open Access | |
Notes | ; This work is supported by the Collaborative Innovation Center of Quantum Matter, the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl) and the FLAG-ERA project TRANS-2D-TMD. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation-Flanders (FWO) and the Flemish Government-department EWI, and the National Supercomputing Center in Tianjin, funded by the Collaborative Innovation Center of Quantum Matter. ; | Approved | Most recent IF: 2.649 | ||
Call Number | UA @ admin @ c:irua:159314 | Serial | 5215 | ||
Permanent link to this record | |||||
Author | Brault, P.; Chamorro-Coral, W.; Chuon, S.; Caillard, A.; Bauchire, J.-M.; Baranton, S.; Coutanceau, C.; Neyts, E. | ||||
Title | Molecular dynamics simulations of initial Pd and PdO nanocluster growth in a magnetron gas aggregation source | Type | A1 Journal article | ||
Year | 2019 | Publication | Frontiers of Chemical Science and Engineering | Abbreviated Journal | Front Chem Sci Eng |
Volume | 13 | Issue | 2 | Pages | 324-329 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Molecular dynamics simulations are carried out for describing growth of Pd and PdO nanoclusters using the ReaxFF force field. The resulting nanocluster structures are successfully compared to those of nanoclusters experimentally grown in a gas aggregation source. The PdO structure is quasi-crystalline as revealed by high resolution transmission microscope analysis for experimental PdO nanoclusters. The role of the nanocluster temperature in the molecular dynamics simulated growth is highlighted. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000468848400009 | Publication Date ![]() |
2019-03-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2095-0179 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.712 | Times cited | 3 | Open Access | Not_Open_Access |
Notes | Approved | Most recent IF: 1.712 | |||
Call Number | UA @ admin @ c:irua:160278 | Serial | 5276 | ||
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Author | Van Pottelberge, R.; Peeters, F.M. | ||||
Title | Tunable circular dipolelike system in graphene : mixed electron-hole states | Type | A1 Journal article | ||
Year | 2019 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
Volume | 99 | Issue | 12 | Pages | 125426 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Coupled electron-hole states are realized in a system consisting of a combination of an electrostatic potential barrier and ring-shaped potential well, which resembles a circular dipole. A perpendicular magnetic field induces confined states inside the Landau gaps which are mainly located at the barrier or ring. Hybridizations between the barrier and ring states are seen as anticrossings in the energy spectrum. As a consequence, the energy levels show an oscillating dependence on the electrostatic potential strength in combination with an oscillating migration of the wave functions between the barrier and ring. At the anticrossing points the quantum state consists of a mixture of electron and hole. The present system mimics closely the behavior of a relativistic dipole on gapped graphene. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000462900200005 | Publication Date ![]() |
2019-03-27 | |
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 | 4 | Open Access | |
Notes | ; We thank M. Van der Donck for fruitful discussions. This work was supported by the Research Foundation of Flanders (FWO-V1) through an aspirant research grant for RVP. ; | Approved | Most recent IF: 3.836 | ||
Call Number | UA @ admin @ c:irua:159409 | Serial | 5237 | ||
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Author | Van der Donck, M.; Peeters, F.M. | ||||
Title | Spectrum of exciton states in monolayer transition metal dichalcogenides : angular momentum and Landau levels | Type | A1 Journal article | ||
Year | 2019 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
Volume | 99 | Issue | 11 | Pages | 115439 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | A four-band exciton Hamiltonian is constructed starting from the single-particle Dirac Hamiltonian for charge carriers in monolayer transition metal dichalcogenides (TMDs). The angular part of the exciton wave function can be separated from the radial part, in the case of zero center of mass momentum excitons, by exploiting the eigenstates of the total exciton angular momentum operator with which the Hamiltonian commutes. We explain why this approach fails for excitons with finite center of mass momentum or in the presence of a perpendicular magnetic field and present an approximation to resolve this issue. We calculate the (binding) energy and average interparticle distance of different excited exciton states in different TMDs and compare these with results available in the literature. Remarkably, we find that the intervalley exciton ground state in the -/+ K valley has angular momentum j = +/- 1, which is due to the pseudospin of the separate particles. The exciton mass and the exciton Landau levels are calculated and we find that the degeneracy of exciton states with opposite relative angular momentum is altered by a magnetic field. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000462896400004 | Publication Date ![]() |
2019-03-28 | |
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 | 10 | Open Access | |
Notes | ; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for MVDD and by the FLAG-ERA project TRANS-2D-TMD. ; | Approved | Most recent IF: 3.836 | ||
Call Number | UA @ admin @ c:irua:159406 | Serial | 5230 | ||
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Author | Razzokov, J.; Yusupov, M.; Bogaerts, A. | ||||
Title | Oxidation destabilizes toxic amyloid beta peptide aggregation | Type | A1 Journal article | ||
Year | 2019 | Publication | Scientific reports | Abbreviated Journal | Sci Rep-Uk |
Volume | 9 | Issue | 1 | Pages | 5476 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The aggregation of insoluble amyloid beta (Aβ) peptides in the brain is known to trigger the onset of neurodegenerative diseases, such as Alzheimer’s disease. In spite of the massive number of investigations, the underlying mechanisms to destabilize the Aβ aggregates are still poorly understood. Some studies indicate the importance of oxidation to destabilize the Aβ aggregates. In particular, oxidation induced by cold atmospheric plasma (CAP) has demonstrated promising results in eliminating these toxic aggregates. In this paper, we investigate the effect of oxidation on the stability of an Aβ pentamer. By means of molecular dynamics simulations and umbrella sampling, we elucidate the conformational changes of Aβ pentamer in the presence of oxidized residues, and we estimate the dissociation free energy of the terminal peptide out of the pentamer form. The calculated dissociation free energy of the terminal peptide is also found to decrease with increasing oxidation. This indicates that Aβ pentamer aggregation becomes less favorable upon oxidation. Our study contributes to a better insight in one of the potential mechanisms for inhibition of toxic Aβ peptide aggregation, which is considered to be the main culprit to Alzheimer’s disease. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000462990000018 | Publication Date ![]() |
2019-04-02 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2045-2322 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.259 | Times cited | 5 | Open Access | OpenAccess |
Notes | M.Y. gratefully acknowledges financial support from the Research Foundation – Flanders (FWO), grant 1200216N and 1200219N. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. | Approved | Most recent IF: 4.259 | ||
Call Number | PLASMANT @ plasmant @UA @ admin @ c:irua:159367 | Serial | 5182 | ||
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Author | Gonzalez-Rubio, G.; Kumar, V.; Llombart, P.; Diaz-Nunez, P.; Bladt, E.; Altantzis, T.; Bals, S.; Pena-Rodriguez, O.; Noya, E.G.; MacDowell, L.G.; Guerrero-Martinez, A.; Liz-Marzan, L.M. | ||||
Title | Disconnecting Symmetry Breaking from Seeded Growth for the Reproducible Synthesis of High Quality Gold Nanorods | Type | A1 Journal article | ||
Year | 2019 | Publication | ACS nano | Abbreviated Journal | Acs Nano |
Volume | 13 | Issue | 13 | Pages | 4424-4435 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) | ||||
Abstract | One of the major difficulties hindering the widespread application of colloidal anisotropic plasmonic nanoparticles is the limited robustness and reproducibility of multistep synthetic methods. We demonstrate herein that the reproducibility and reliability of colloidal gold nanorod (AuNR) synthesis can be greatly improved by disconnecting the symmetry-breaking event from the seeded growth process. We have used a modified silver-assisted seeded growth method in the presence of the surfactant hexadecyltrimethylammonium bromide and n-decanol as a co-surfactant to prepare small AuNRs in high yield, which were then used as seeds for the growth of high quality AuNR colloids. Whereas the use of n-decanol provides a more-rigid micellar system, the growth on anisotropic seeds avoids sources of irreproducibility during the symmetry breaking step, yielding uniform AuNR colloids with narrow plasmon bands, ranging from 600 to 1270 nm, and allowing the fine-tuning of the final dimensions. This method provides a robust route for the preparation of high quality AuNR colloids with tunable morphology, size, and optical response in a reproducible and scalable manner. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000466052900067 | Publication Date ![]() |
2019-04-02 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1936-0851 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 13.942 | Times cited | 100 | Open Access | OpenAccess |
Notes | ; This work has been funded by the Spanish MINECO (grant nos. FIS2017-89361-C3-2-P and MAT2017-86659-R), the Madrid Regional Government (grant no. P2018/NMT-4389) and the Complutense University of Madrid (grant no. PR75/18-21616). Funding is acknowledged from the European Commission (grant no. EUSMI 731019). G.G.-R. acknowledges receipt of FPI Fellowship from the Spanish MINECO. E.B. and T.A. acknowledge postdoctoral grants from the Research Foundation Flanders (FWO). The authors are indebted to Profs. Justin Gooding, Watson Loh, Nicholas Kotov, Deqing Zhang, Mihaela Delcea, Maurizio Prato, and Krishna Ganesh, for providing milli-Q water samples. ; | Approved | Most recent IF: 13.942 | ||
Call Number | UA @ admin @ c:irua:160417 | Serial | 5246 | ||
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Author | Shi, P.; Liu, M.; Ratkowsky, D.A.; Gielis, J.; Su, J.; Yu, X.; Wang, P.; Zhang, L.; Lin, Z.; Schrader, J. | ||||
Title | Leaf area-length allometry and its implications in leaf shape evolution | Type | A1 Journal article | ||
Year | 2019 | Publication | Trees: structure and function | Abbreviated Journal | |
Volume | 33 | Issue | 4 | Pages | 1073-1085 |
Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | According to Thompson’s principle of similarity, the area of an object should be proportional to its length squared. However, leaf area–length data of some plants have been demonstrated not to follow the principle of similarity. We explore the reasons why the leaf area–length allometry deviates from the principle of similarity and examine whether there is a general model describing the relationship among leaf area, width and length. We sampled more than 11,800 leaves from six classes of woody and herbaceous plants and tested the leaf area–length allometry. We compared six mathematical models based on root-mean-square error as the measure of goodness-of-fit. The best supported model described a proportional relationship between leaf area and the product of leaf width and length (i.e., the Montgomery model). We found that the extent to which the leaf area–length allometry deviates from the principle of similarity depends upon the extent of variation of the ratio of leaf width to length. Estimates of the parameter of the Montgomery model ranged between 1/2, which corresponds to a triangular leaf with leaf length as its height and leaf width as its base, and π/4, which corresponds to an elliptical leaf with leaf length as its major axis and leaf width as its minor axis, for the six classes of plants. The narrow range in practice of the Montgomery parameter implies an evolutionary stability for the leaf area of large-leaved plants despite the fact that leaf shapes of these plants are rather different. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000475992600010 | Publication Date ![]() |
2019-04-04 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0931-1890; 1432-2285 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:159970 | Serial | 8170 | ||
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Author | Al-Emam, E.; Motawea, A.G.; Janssens, K.; Caen, J. | ||||
Title | Evaluation of polyvinyl alcohol–borax/agarose (PVA–B/AG) blend hydrogels for removal of deteriorated consolidants from ancient Egyptian wall paintings | Type | A1 Journal article | ||
Year | 2019 | Publication | Heritage science | Abbreviated Journal | |
Volume | 7 | Issue | 7 | Pages | 22 |
Keywords | A1 Journal article; Engineering sciences. Technology; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES) | ||||
Abstract | This study concerns the assessment of a new polyvinyl alcohol–borax/agarose blend hydrogel (PVA–B/AG) tailored for the conservation of ancient Egyptian wall paintings. The increasing problems of deteriorated consolidants affecting ancient wall paintings have attracted the interest of conservation scientists in the last 20 years. The ability of a new blend for removing aged Paraloid® B-72 layers from painted stone and plaster samples has been evaluated. The hydrogel blend was used to expose the aged Paraloid in a controlled manner to six different cleaning system (CS). CS1–CS4 consist of solvents or solvent mixtures; CS5 and CS6 are nanostructured fluids (NSFs). The evaluation of the removal process was carried out by quantitative and qualitative methods, namely, visual examination, 3D microscopy, contact angle and colorimetric measurements and by Fourier transform infra-red spectrometry in reflectance mode. The results showed that the PVA–B/AG blend hydrogel, loaded with specific cleaning systems, was able to remove deteriorated B-72 and allowed to restore the painted surface to a state close to the original one. The PVA–B/AG blend showed good workability, permitting it to be easily cut, shaped, applied and removed. It could also be verified by means of different investigation methods that the blend left no detectable residues. As a final realistic check of the method, the PVA–B/AG hydrogel loaded with the best functioning cleaning system (CS3) was used to remove an aged consolidant layer from an ancient Egyptian wall painting. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000463733900001 | Publication Date ![]() |
2019-04-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2050-7445 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 2 | Open Access | ||
Notes | ; Ehab Al-Emam acknowledges the Egyptian Ministry of Higher Education for funding his PhD scholarship. ; | Approved | Most recent IF: NA | ||
Call Number | UA @ admin @ c:irua:158879 | Serial | 5615 | ||
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