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Author Kanda, A.; Baelus, B.J.; Peeters, F.M.; Kadowaki, K.; Ootuka, Y.
Title (up) Experimental evidence for giant vortex states in a mesoscopic superconducting disk Type A1 Journal article
Year 2004 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 93 Issue 25 Pages 257002,1-4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000225785200056 Publication Date 2004-12-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited 234 Open Access
Notes Approved Most recent IF: 8.462; 2004 IF: 7.218
Call Number UA @ lucian @ c:irua:69420 Serial 1139
Permanent link to this record
 
 
Author Samal, D.; Tan, H.; Molegraaf, H.; Kuiper, B.; Siemons, W.; Bals, S.; Verbeeck, J.; Van Tendeloo, G.; Takamura, Y.; Arenholz, E.; Jenkins, C.A.; Rijnders, G.; Koster, G.
Title (up) Experimental evidence for oxygen sublattice control in polar infinite layer SrCuO2 Type A1 Journal article
Year 2013 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 111 Issue 9 Pages 096102-96105
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A recent theoretical study [ Phys. Rev. B 85 121411(R) (2012)] predicted a thickness limit below which ideal polar cuprates turn nonpolar driven by the associated electrostatic instability. Here we demonstrate this possibility by inducing a structural transformation from the bulk planar to chainlike structure upon reducing the SrCuO2 repeat thickness in SrCuO2/SrTiO3 superlattices with unit-cell precision. Our results, based on structural investigation by x-ray diffraction and high resolution scanning transmission electron microscopy, demonstrate that the oxygen sublattice can essentially be built by design. In addition, the electronic structure of the chainlike structure, as studied by x-ray absorption spectroscopy, shows the signature for preferential hole occupation in the Cu 3d3z2-r2 orbital, which is different from the planar case.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000323610800023 Publication Date 2013-08-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited 29 Open Access
Notes This work was carried out with financial support from AFOSR and EOARD project (Project No. FA8655-10-1-3077) and also supported by funding from the European Research Council under the 7th Framework Program (FP7), ERC Grant No. 246791-COUNTATOMS and ERC Starting Grant No. 278510 VORTEX. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. This work was partially funded by the European Union Council under the 7th Framework Program (FP7) Grant No. NMP3-LA-2010-246102 IFOX. The authors acknowledge financial support from the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure No. 312483-ESTEEM2. Advanced Light Source is supported by the Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy (DOE) under Contract No. DE-AC02-05CH11231. Y. T. acknowledges support from the National Science Foundation (DMR-0747896). W. S. was supported by the US DOE, Basic Energy Sciences, Materials Sciences and Engineering Division. D. S. thanks Z. Zhong from Vienna University of Technology, Austria for scientific discussion. ECASJO_; Approved Most recent IF: 8.462; 2013 IF: 7.728
Call Number UA @ lucian @ c:irua:109452UA @ admin @ c:irua:109452 Serial 1140
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Author Kummamuru, N.B.; Verbruggen, S.W.; Lenaerts, S.; Perreault, P.
Title (up) Experimental investigation of methane hydrate formation in the presence of metallic packing Type A1 Journal article
Year 2022 Publication Fuel Abbreviated Journal Fuel
Volume 323 Issue Pages 124269-10
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Clathrate hydrates gained significant attention as a viable option for large-scale storage of natural gas, primarily methane (CH4). Unlike employing the nanoconfinement for enhancing the nucleation sites and hydrate growth as in the porous materials, whose synthesis is often associated with high costs and poor batch reproducibility, a new approach for promoting CH4 hydrates using pure water (H2O) in an unstirred reactor packed with stainless steel beads (SSB) was proposed in this fundamental work, where the interstitial space between the beads was exploited for enhanced hydrate growth. SSB of two diameters, 5 mm and 2 mm, were used as. a packed bed to investigate their effects on CH4 hydrate formation at 273.65 K, 275.65 K, and 277.65 K with an initial pressure of 6 MPa. The thermal conductivity of SSB packing potentially aided hydrate growth by expelling the hydration heat, while, the results also revealed that driving force has a substantial impact on the rate of CH4 hydrate formation and gas uptake. The experiments conducted in both 5 mm and 2 mm SSB packed bed reactors showed a maximum gas uptake of 0.147 mol CH4/mol H2O at 273.65 K with water to hydrate conversion of 84.42% with no significant variation. The results established the promotion effect on the kinetics of CH4 hydrate formation in the unstirred reactor packed with 2 mm SSB due to the availability of more interstitial space offering multiple nucleation sites for CH4 hydrate by providing a larger specific surface area for H2O-CH4 reaction. Experiments with varying H2O content were also performed and the results showed that the water to hydrate conversion and rate of hydrate formation could be enhanced at a lower H2O content in a packed bed reactor. This study demonstrates that the use of costly or intricate porous materials can be made redundant, by exploiting the interstitial voids in packing of cheap and widely available SSB as a promising alternative material for enhancing the kinetics of artificial CH4 hydrate synthesis.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000799165400007 Publication Date 2022-04-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0016-2361 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.4 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 7.4
Call Number UA @ admin @ c:irua:187830 Serial 7159
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Author Van Hoecke, L.; Boeye, D.; Gonzalez‐Quiroga, A.; Patience, G.S.; Perreault, P.
Title (up) Experimental methods in chemical engineering : computational fluid dynamics/finite volume method–CFD/FVM Type A1 Journal article
Year 2022 Publication The Canadian journal of chemical engineering Abbreviated Journal Can J Chem Eng
Volume Issue Pages 1-17
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Computational fluid dynamics (CFD) applies numerical methods to solve transport phenomena problems. These include, for example, problems related to fluid flow comprising the Navier--Stokes transport equations for either compressible or incompressible fluids together with turbulence models and continuity equations for single and multi-component (reacting and inert) systems. The design space is first segmented into discrete volume elements (meshing). The finite volume method, the subject of this article, discretizes the equations in time and space to produce a set of non-linear algebraic expressions that are assigned to each volume element-cell. The system of equations is solved iteratively with algorithms like the semi-implicit method for pressure-linked equations (SIMPLE) and the pressure implicit splitting of operators (PISO). CFD is especially useful for testing multiple design elements because it is often faster and cheaper than experiments. The downside is that this numerical method is based on models that require validation to check their accuracy. According to a bibliometric analysis, the broad research domains in chemical engineering include: (1) dynamics and CFD-DEM (2) fluid flow, heat transfer and turbulence, (3) mass transfer and combustion, (4) ventilation and environment, and (5) design and optimization. Here, we review the basic theoretical concepts of CFD and illustrate how to set up a problem in the open-source software OpenFOAM to isomerize n-butane to i-butane in a notched reactor under turbulent conditions. We simulated the problem with 1000, 4000, and 16000 cells. According to the Richardson extrapolation, the simulation underestimates the adiabatic temperature rise by 7% with 16000 cells.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000859840100001 Publication Date 2022-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-4034; 1939-019x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.1 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.1
Call Number UA @ admin @ c:irua:189284 Serial 7160
Permanent link to this record
 
 
Author Perreault, P.; Robert, E.; Patience, G.S.
Title (up) Experimental methods in chemical engineering : mass spectrometry – MS Type A1 Journal article
Year 2019 Publication The Canadian journal of chemical engineering Abbreviated Journal
Volume 97 Issue 5 Pages 1036-1042
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Mass spectrometry identifies the atomic mass of molecules and fragments in the gas phase. The spectrometer ionizes the molecules that then pass through an electric or magnetic field towards a detector. The field modifies the molecule's trajectory and we infer mass from its direction and velocity in a static field or from the stability of its path in a dynamic field. The electric current is amplified and a mass spectrum is generated from the location or timing of the signal from the detector, translated into a plot of the intensity as a function of the mass‐over‐charge ratio. It is field deployable, measures concentrations in real time with a temporal resolution better than 100 ms, and detection limits of fg. However, the signal drifts with time so we have to calibrate it as frequently as every hour. Calibrating requires multiple mixtures with varying concentrations to map the non‐linear response. The Web of Science Core Collection indexed over 60 000 articles that refer to MS (2016 and 2017) with applications ranging from permanent gas analysis, to identifying protein, forensic science, and natural products. The bibliometric software VOSViewer(2010) identified four clusters of research related to MS: (1) proteomics, proteins, plasma, and metabolomics; (2) solid phase extraction together with gas chromatography; (3) tandem mass spectrometry and liquid chromatography; and (4) waste water and toxicity. We expect that the technique will continue to evolve with increased sensitivity, lower drift, and greater specificity. Miniaturization efforts should also continue in order to develop faster field deployable instruments.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000468025000001 Publication Date 2019-01-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-4034; 1939-019x 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:162123 Serial 7947
Permanent link to this record
 
 
Author Ngo, N.; Liu, X.; Van Winckel, T.; Massoudieh, A.; Kjellerup, B.V.; Takács, I.; Wett, B.; Mancell-Egala, M.; Sturm, B.; Vlaeminck, S.E.; Al-Omari, A.; Murthy, S.; De Clippeleir, H.
Title (up) Experimental metrics to predict the flocculent settling coefficient in a 1D settler model Type P3 Proceeding
Year 2017 Publication Abbreviated Journal
Volume Issue Pages 5 p. T2 - WEFTEC.17, 30 September 4 October 2017,
Keywords P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:151111 Serial 7948
Permanent link to this record
 
 
Author Lozano, D.P.; Couet, S.; Petermann, C.; Hamoir, G.; Jochum, J.K.; Picot, T.; Menendez, E.; Houben, K.; Joly, V.; Antohe, V.A.; Hu, M.Y.; Leu, B.M.; Alatas, A.; Said, A.H.; Roelants, S.; Partoens, B.; Milošević, M.V.; Peeters, F.M.; Piraux, L.; Van de Vondel, J.; Vantomme, A.; Temst, K.; Van Bael, M.J.
Title (up) Experimental observation of electron-phonon coupling enhancement in Sn nanowires caused by phonon confinement effects Type A1 Journal article
Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 99 Issue 6 Pages 064512
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Reducing the size of a superconductor below its characteristic length scales can either enhance or suppress its critical temperature (T-c). Depending on the bulk value of the electron-phonon coupling strength, electronic and phonon confinement effects will play different roles in the modification of T-c. Experimentally disentangling each contribution has remained a challenge. We have measured both the phonon density of states and T-c of Sn nanowires with diameters of 18, 35, and 100 nm in order to quantify the effects of phonon confinement on superconductivity. We observe a shift of the phonon frequency towards the low-energy region and an increase in the electron-phonon coupling constant that can account for the measured increase in T-c.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000459322400005 Publication Date 2019-02-21
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 11 Open Access
Notes ; We would like to thanks Jeroen Scheerder and Wout Keijers for their help and assistance during the low-temperature measurements. This work was supported by the Research Foundation Flanders (FWO), the Concerted Research Action (GOA/14/ 007), the Federation Wallonie-Bruxelles (ARC 13/18-052, Supracryst) and the Fonds de la Recherche Scientifique -FNRS under Grant No. T.0006.16. The authors acknowledge Hercules Stichting (Project Nos. AKUL/13/19 and AKUL/13/25). D.P.L. thanks the FWO for financial support. This research used resources of the Advanced Photon Source, a US Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. ; Approved Most recent IF: 3.836
Call Number UA @ admin @ c:irua:158621 Serial 5212
Permanent link to this record
 
 
Author Cambré, S.; Schoeters, B.; Luyckx, S.; Goovaerts, E.; Wenseleers, W.
Title (up) Experimental observation of single-file water filling of thin single-wall carbon nanotubes down to chiral index (5,3) Type A1 Journal article
Year 2010 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 104 Issue 20 Pages 207401,1-207401,4
Keywords A1 Journal article; Particle Physics Group; Nanostructured and organic optical and electronic materials (NANOrOPT); Condensed Matter Theory (CMT)
Abstract Single-file transport of water into carbon nanotubes is experimentally demonstrated for the first time through the splitting of the radial breathing mode (RBM) vibration in Raman spectra of bile salt solubilized tubes when both empty (closed) and water-filled (open-ended) tubes are present. D2O filling is observed for a wide range of diameters, d, down to very thin tubes [e.g., (5,3) tube, d=0.548  nm] for which only a single water molecule fits in the cross section of the internal nanotube channel. The shift in RBM frequency upon filling is found to display a very complex dependence on nanotube diameter and chirality, in support of a different yet well-defined ordering and orientation of water molecules at room temperature. Large shifts of the electronic transitions are also observed.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000277945900051 Publication Date 2010-05-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited 140 Open Access
Notes ; Financial support from the Fund for Scientific Research Flanders, Belgium (FWO-Vlaanderen) (Project No. G.0129.07), is gratefully acknowledged. ; Approved Most recent IF: 8.462; 2010 IF: 7.622
Call Number UA @ lucian @ c:irua:83383 Serial 1141
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Author De Backer, A.; Van Aert, S.; Faes, C.; Arslan Irmak, E.; Nellist, P.D.; Jones, L.
Title (up) Experimental reconstructions of 3D atomic structures from electron microscopy images using a Bayesian genetic algorithm Type A1 Journal article
Year 2022 Publication N P J Computational Materials Abbreviated Journal npj Comput Mater
Volume 8 Issue 1 Pages 216
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We introduce a Bayesian genetic algorithm for reconstructing atomic models of monotype crystalline nanoparticles from a single projection using Z-contrast imaging. The number of atoms in a projected atomic column obtained from annular dark field scanning transmission electron microscopy images serves as an input for the initial three-dimensional model. The algorithm minimizes the energy of the structure while utilizing a priori information about the finite precision of the atom-counting results and neighbor-mass relations. The results show promising prospects for obtaining reliable reconstructions of beam-sensitive nanoparticles during dynamical processes from images acquired with sufficiently low incident electron doses.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000866500900001 Publication Date 2022-10-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2057-3960 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access OpenAccess
Notes This work was supported by the European Research Council (Grant 770887 PICOMETRICS to S.V.A. and Grant 823717 ESTEEM3). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0267.18N, G.0502.18N, G.0346.21N) and a postdoctoral grant to A.D.B. L.J. acknowledges Science Foundation Ireland (SFI – grant number URF/RI/191637), the Royal Society, and the AMBER Centre. The authors acknowledge Aakash Varambhia for his assistance and expertise with the experimental recording and use of characterization facilities within the David Cockayne Centre for Electron Microscopy, Department of Materials, University of Oxford, and in particular the EPSRC (EP/K040375/1 South of England Analytical Electron Microscope).; esteem3reported; esteem3JRA Approved Most recent IF: NA
Call Number EMAT @ emat @c:irua:191398 Serial 7114
Permanent link to this record
 
 
Author Schryvers, D.
Title (up) Experimental studies on precursor phenomena in displacive phase transformations Type P1 Proceeding
Year 1997 Publication Properties Of Complex Inorganic Solids Abbreviated Journal
Volume Issue Pages 321-332
Keywords P1 Proceeding; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1997BJ04L00041 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0-306-45606-0 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 1 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:104380 Serial 1142
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Author Bogaerts, R.; van Esch, A.; van Bockstal, L.; Herlach, F.; Peeters, F.M.; DeRosa, F.; Palmstrøm, C.J.; Allen, S.J.
Title (up) Experimental study of the energy band structure of Sc1-xErxAs layers in pulsed magnetic fields Type A1 Journal article
Year 1993 Publication Physica: B : condensed matter Abbreviated Journal Physica B
Volume 184 Issue Pages 232-235
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1993KU62100047 Publication Date 2002-10-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-4526; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.319 Times cited 9 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:5791 Serial 1143
Permanent link to this record
 
 
Author Kanda, A.; Baelus, B.J.; Shimizu, N.; Tadano, K.; Peeters, F.M.; Kadowaki, K.; Ootuka, Y.
Title (up) Experimental study on giant vortex and multivortex states in mesoscopic superconductors Type A1 Journal article
Year 2006 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume 437/438 Issue Pages 122-126
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000238395700030 Publication Date 2006-04-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-4534; ISBN Additional Links UA library record; WoS full record
Impact Factor 1.404 Times cited Open Access
Notes Approved Most recent IF: 1.404; 2006 IF: 0.792
Call Number UA @ lucian @ c:irua:60045 Serial 1144
Permanent link to this record
 
 
Author Vandebroek, M.; Belis, J.; Louter, C.; Van Tendeloo, G.
Title (up) Experimental validation of edge strength model for glass with polished and cut edge finishing Type A1 Journal article
Year 2012 Publication Engineering fracture mechanics Abbreviated Journal Eng Fract Mech
Volume 96 Issue Pages 480-489
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract In literature, the experimental validation of a glass edge strength model is lacking. Therefore, in this study, an edge strength model was established and validated. The short-term parameters of the edge strength model, i.e. the flaw geometry and depth, were determined by means of testing at a high stress rate. This was done for polished and cut edges. Next, the strength model, including subcritical crack growth, was established. Finally, the edge strength model was validated by the test results at a low stress rate. The assessed model was found to be slightly conservative, compared to the test results.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000313384300034 Publication Date 2012-09-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0013-7944; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.151 Times cited 15 Open Access
Notes Approved Most recent IF: 2.151; 2012 IF: 1.413
Call Number UA @ lucian @ c:irua:105285 Serial 1145
Permanent link to this record
 
 
Author Van 't dack, L.; Beusen, J.-M.; Claesson, T.; Vandelannoote, R.; van Grieken, R.; Gijbels, R.
Title (up) Experimental weathering studies of igneous rocks (alkali-granite, granodiorite, gabbro and granite) and sedimentary gneiss under hydrothermal conditions Type P3 Proceeding
Year 1985 Publication Abbreviated Journal
Volume Issue Pages 363-368
Keywords P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication S.l. Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:111512 Serial 1146
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Author Potapov, P.; Lichte, H.; Verbeeck, J.; van Dyck, D.
Title (up) Experiments on inelastic electron holography Type A1 Journal article
Year 2006 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 106 Issue 11-12 Pages 1012-1018
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract Using the combination of an electron biprism and an energy filter, the coherence distribution in an inelastically scattered wave-field is measured. It is found that the degree of coherence decreases rapidly with increasing distance between two superimposed points in the object, and with increasing energy-loss. In a Si sample, coherence of plasmon scattering increases in vacuum with the distance from the edge of the sample. (c) 2006 Published by Elsevier B.V.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000241592900009 Publication Date 2006-07-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.843 Times cited 28 Open Access
Notes Approved Most recent IF: 2.843; 2006 IF: 1.706
Call Number UA @ lucian @ c:irua:61380UA @ admin @ c:irua:61380 Serial 1147
Permanent link to this record
 
 
Author Clark, L.; Béché, A.; Guzzinati, G.; Lubk, A.; Mazilu, M.; Van Boxem, R.; Verbeeck, J.
Title (up) Exploiting lens aberrations to create electron-vortex beams Type A1 Journal article
Year 2013 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 111 Issue 6 Pages 064801-64805
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A model for a new electron-vortex beam production method is proposed and experimentally demonstrated. The technique calls on the controlled manipulation of the degrees of freedom of the lens aberrations to achieve a helical phase front. These degrees of freedom are accessible by using the corrector lenses of a transmission electron microscope. The vortex beam is produced through a particular alignment of these lenses into a specifically designed astigmatic state and applying an annular aperture in the condenser plane. Experimental results are found to be in good agreement with simulations.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000322921200009 Publication Date 2013-08-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited 66 Open Access
Notes Vortex; Esteem2; Countatoms; FWO; Esteem2jra3 ECASJO; Approved Most recent IF: 8.462; 2013 IF: 7.728
Call Number UA @ lucian @ c:irua:109340UA @ admin @ c:irua:109340 Serial 1148
Permanent link to this record
 
 
Author Vlasov, E.
Title (up) Exploiting secondary electrons in transmission electron microscopy for 3D characterization of nanoparticle morphologies Type Doctoral thesis
Year 2024 Publication Abbreviated Journal
Volume Issue Pages x, 118 p.
Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)
Abstract Electron tomography (ET) is an indispensable tool for determining the three-dimensional (3D) structure of nanomaterials in (scanning) transmission electron microscopy ((S)TEM). ET enables 3D characterization of a variety of nanomaterials across different fields, including life sciences, chemistry, solid-state physics, and materials science down to atomic resolution. However, the acquisition of a conventional tilt series for ET is a time-consuming process and thus cannot capture fast transformations of materials in realistic conditions. Moreover, only a limited number of nanoparticles (NPs) can be investigated, hampering a general understanding of the average properties of the material. Therefore, alternative characterization techniques that allow for high-resolution characterization of the surface structure without the need to acquire a full tilt series in ET are required which would enable a more time-efficient investigation with better statistical value. In the first part of this work, an alternative technique for the characterization of the morphology of NPs to improve the throughput and temporal resolution of ET is presented. The proposed technique exploits surface-sensitive secondary electron (SE) imaging in STEM employed using a modification of electron beam-induced current (EBIC) setup. The time- and dose efficiency of SEEBIC are tested in comparison with ET and superior spatial resolution is shown compared to conventional scanning electron microscopy. Finally, contrast artefacts arising in SEEBIC images are described, and their origin is discussed. The second part of my thesis focuses on real applications of the proposed technique and introduces a high-throughput methodology that combines images acquired by SEEBIC with quantitative image analysis to retrieve information about the helicity of gold nanorods. It shows that SEEBIC imaging overcomes the limitation of ET providing a general understanding of the connection between structure and chiroptical properties.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2024-06-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:204905 Serial 9149
Permanent link to this record
 
 
Author Bafekry, A.; Stampfl, C.; Shayesteh, S.F.; Peeters, F.M.
Title (up) Exploiting the novel electronic and magnetic structure of C3Nvia functionalization and conformation Type A1 Journal article
Year 2019 Publication Advanced Electronic Materials Abbreviated Journal Adv Electron Mater
Volume 5 Issue 5 Pages 1900459
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract 2D polyaniline, C3N, is of recent high interest due to its unusual properties and potential use in various technological applications. In this work, through systematic first-principles calculations, the atomic, electronic, and magnetic structure of C3N and the changes induced due to functionalization by the adsorption of hydrogen, oxygen, and fluorine, for different coverages and sites, as well as on formation of nanoribbons including the effect of adsorbed hydrogen and oxygen, and the effect of strain, are investigated. Among other interesting phenomena, for hydrogen adsorption, a semiconductor-to-topological insulator transition, where two Dirac-points appear around the Fermi level, as well as ferromagnetic ordering for both hydrogen and oxygen functionalization, is identified. Considering C3N nanoribbons, adsorption of H leads to significant changes in the electronic properties, such as transforming the structures from semiconductor to metallic. Furthermore, investigating the effect of strain on the physical properties, it is found that the band gap can be significantly altered and controlled. The present findings predict that a wide variation in the magnetic and electronic structure of C3N can be achieved by adatom functionalization and conformation indicating its high potential for use in various technological applications, ranging from catalysis, energy storage, and nanoelectronic devices.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000486528200001 Publication Date 2019-09-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2199-160x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.193 Times cited 39 Open Access
Notes ; This work was supported by the FLAG-ERA project 2DTRANS and the Flemish Science Foundation (FWO-Vl). In addition, we acknowledge the OpenMX team for OpenMX code. ; Approved Most recent IF: 4.193
Call Number UA @ admin @ c:irua:162790 Serial 5414
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Author van der Snickt, G.; Martins, A.; Delaney, J.; Janssens, K.; Zeibel, J.; Duffy, M.; McGlinchey, C.; Van Driel, B.; Dik, J.
Title (up) Exploring a hidden painting below the surface of Rene Magritte's Le Portrait Type A1 Journal article
Year 2016 Publication Applied spectroscopy Abbreviated Journal Appl Spectrosc
Volume 70 Issue 1 Pages 57-67
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Two state-of-the-art methods for non-invasive visualization of subsurface (or overpainted) pictorial layers present in painted works of art are employed to study Le portrait, painted by Belgian artist Rene Magritte in 1935. X-ray radiography, a commonly used method for the nondestructive inspection of paintings, had revealed the presence of an underlying figurative composition, part of an earlier Magritte painting entitled La pose enchantee (1927) which originally depicted two full length nude female figures with exaggerated facial features. On the one hand, macroscopic X-ray fluorescence analysis (MA-XRF), a method capable of providing information on the distribution of the key chemical elements present in many artists' pigments, was employed. The ability of the X-rays to penetrate the upper layer of paint enabled the imaging of the facial features of the female figure and provided information on Magritte's palette for both surface and hidden composition. On the other hand, visible and near infrared hyperspectral imaging spectroscopies in transmission mode were also used, especially in the area of the table cloth in order to look through the upper representation and reveal the pictorial layer(s) below. MA-XRF provided elemental information on the pigment distributions in both the final painting and the prior whereas the transmission mode provided information related to preparatory sketches as well as revealing differences between the paints used in both compositions. These results illustrate very well the manner in which the two imaging methods complement each other, both in the sense of providing different types of information on the nature and presence of paint components/pigments and in the sense of being optimally suited to easily penetrate through different types of overpaint.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000368604500007 Publication Date 2016-01-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-7028 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.529 Times cited 13 Open Access
Notes ; GvdS and KJ acknowledge the support of the Fund Inbev-Baillet Latour. JKD acknowledges support from the Andrew Mellon Foundation and the National Science Foundation. BvD and JD acknowledge support from The Netherlands Organisation for Scientific Research (NWO). ; Approved Most recent IF: 1.529
Call Number UA @ admin @ c:irua:131544 Serial 5620
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Author Sankaran, K.; Clima, S.; Mees, M.; Adelmann, C.; Tokei, Z.; Pourtois, G.
Title (up) Exploring alternative metals to Cu and W for interconnects : an ab initio Insight Type P1 Proceeding
Year 2014 Publication 2014 Ieee International Interconnect Technology Conference / Advanced Metallization Conference (iitc/amc) Abbreviated Journal
Volume Issue Pages 193-195
Keywords P1 Proceeding; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The properties of alternative metals to Cu and W for interconnect applications are reviewed based on first-principles simulations and benchmarked in terms of intrinsic bulk resistivity and electromigration.
Address
Corporate Author Thesis
Publisher Ieee Place of Publication New york Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-1-4799-5018-8 ISBN Additional Links UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:127034 Serial 1149
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Author Sankaran, K.; Clima, S.; Mees, M.; Pourtois, G.
Title (up) Exploring alternative metals to Cu and W for interconnects applications using automated first-principles simulations Type A1 Journal article
Year 2015 Publication ECS journal of solid state science and technology Abbreviated Journal Ecs J Solid State Sc
Volume 4 Issue 4 Pages N3127-N3133
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The bulk properties of elementary metals and copper based binary alloys have been investigated using automated first-principles simulations to evaluate their potential to replace copper and tungsten as interconnecting wires in the coming CMOS technology nodes. The intrinsic properties of the screened candidates based on their cohesive energy and on their electronic properties have been used as a metrics to reflect their resistivity and their sensitivity to electromigration. Using these values, the 'performances' of the alloys have been benchmarked with respect to the Cu and W ones. It turns out that for some systems, alloying Cu with another element leads to a reduced tendency to electromigration. This is however done at the expense of a decrease of the conductivity of the alloy with respect to the bulk metal. (C) 2014 The Electrochemical Society. All rights reserved.
Address
Corporate Author Thesis
Publisher Electrochemical society Place of Publication Pennington (N.J.) Editor
Language Wos 000349547900018 Publication Date 2014-11-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2162-8769;2162-8777; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.787 Times cited 19 Open Access
Notes Approved Most recent IF: 1.787; 2015 IF: 1.558
Call Number c:irua:125296 Serial 1150
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Author Nicolau, F.; Gielis, J.; Simeone, A.L.; Simoes Lopes, D.
Title (up) Exploring and selecting supershapes in virtual reality with line, quad, and cube shaped widgets Type P1 Proceeding
Year 2022 Publication Abbreviated Journal
Volume Issue Pages 21-28
Keywords P1 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Supershapes are used in Parametric Design to model, literally, thou-sands of natural and man-made shapes with a single 6 parameter formula. However, users are left to probe such a rich yet dense collection of supershapes using a set of independent 1-D sliders. Some of the formula’s parameters are non-linear in nature, making them particularly difficult to grasp with conventional 1-D sliders alone. VR appears as a promising setting for Parametric Design with supershapes since it empowers users with more natural visual inspection and shape browsing techniques, with multiple solutions being displayed at once and the possibility to design more interesting forms of slider interaction. In this work, we propose VR shape widgets that allow users to probe and select supershapes from a multitude of solutions. Our designs take leverage on thumbnails, mini-maps, haptic feedback and spatial interaction, while supporting 1-D, 2-D and 3-D supershape parameter spaces. We conducted a user study (N = 18) and found that VR shape widgets are effective, more efficient, and natural than conventional VR 1-D sliders while also usable for users without prior knowledge on supershapes. We also found that the proposed VR widgets provide a quick overview of the main supershapes, and users can easily reach the desired solution without having to perform fine-grain handle manipulations.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000828657500003 Publication Date 2022-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-1-6654-9617-9 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access OpenAccess
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:188471 Serial 7161
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Author Liu, C.(T.); Alvarez-Martin, A.; Keune, K.
Title (up) Exploring benzyl alcohol derivatives and related compounds in the cleaning of oil paintings Type A1 Journal article
Year 2023 Publication Studies in conservation Abbreviated Journal
Volume Issue Pages 1-12
Keywords A1 Journal article; Engineering sciences. Technology; Antwerp X-ray Imaging and Spectroscopy (AXIS)
Abstract This study examines five benzyl alcohol derivatives and three chemically similar compounds and compares them against benzyl alcohol in gelled emulsions for the removal of overpaint during cleaning of oil paintings. Comparative cleaning tests using xanthan gels, Pemulen® TR-2 gels, and neat solvent were made on overpaint on fragments of a seventeenth-century test painting. This approach demonstrated that molecular changes to a benzyl alcohol core resulted in enhanced control during the cleaning process. In some cases a benzyl alcohol derivative enabled selective removal of non-original material, when benzyl alcohol appeared to affect the original paint. Select derivatives were also tested in an area of overpaint on a sixteenth-century oil on panel painting by Jan van Scorel in the Rijksmuseum Collection through modifying the chemical activity of benzyl alcohol. Finally, two GC-MS-based methods were used to monitor benzyl alcohol retention and possible oxidation in paint layers post-treatment.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001027641300001 Publication Date 2023-07-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-3630; 2047-0584 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.8 Times cited Open Access
Notes Approved Most recent IF: 0.8; 2023 IF: 0.578
Call Number UA @ admin @ c:irua:201643 Serial 9034
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Author Goris, B.; Bals, S.; van den Broek, W.; Verbeeck, J.; Van Tendeloo, G.
Title (up) Exploring different inelastic projection mechanisms for electron tomography Type A1 Journal article
Year 2011 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 111 Issue 8 Pages 1262-1267
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract Several different projection mechanisms that all make use of inelastically scattered electrons are used for electron tomography. The advantages and the disadvantages of these methods are compared to HAADFSTEM tomography, which is considered as the standard electron tomography technique in materials science. The different inelastic setups used are energy filtered transmission electron microscopy (EFTEM), thickness mapping based on the log-ratio method and bulk plasmon mapping. We present a comparison that can be used to select the best inelastic signal for tomography, depending on different parameters such as the beam stability and nature of the sample. The appropriate signal will obviously also depend on the exact information which is requested.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000300461100039 Publication Date 2011-03-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.843 Times cited 21 Open Access
Notes Fwo; Iap; Esteem 026019 Approved Most recent IF: 2.843; 2011 IF: 2.471
Call Number UA @ lucian @ c:irua:91260UA @ admin @ c:irua:91260 Serial 1151
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Author Sui, Y.; Vlaeminck, S.E.
Title (up) Exploring Dunaliella salina as single cell protein (SCP) : the influence of light/dark regime on the growth and protein synthesis Type A2 Journal article
Year 2017 Publication Communications in agricultural and applied biological sciences Abbreviated Journal
Volume 82 Issue 1 Pages 6-11
Keywords A2 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Single cell protein (SCP), or originally named microbial protein, is the edible microbial biomass derived from e.g. microalgae, bacteria and fungi, which can be used as protein sources replacing conventional protein sources for animal feed or human food such as fishmeal and soybean (Anupama & Ravindra 2000). SCP presents great potential as protein supplement to alleviate the problem of food scarcity in the future (Nasseri et al. 2011). In general, microalgae as SCP contains above 50% protein over dry weight and specifically for the marine microalgae Dunaliella salina the amount stays around 57% (Becker 2007). Commercially the most common system for Dunaliella sp. production is the outdoor open pond, thus the microalgal cells are subjected to a natural light/dark cycle (Hosseini Tafreshi & Shariati 2009). Being photo-autotrophic microorganisms, the lack of light energy sources is a risk leading to night biomass loss (Ogbonna & Tanaka 1996). On the other hand, for some microalgae species cell division occurs primarily during the night suggesting its night protein synthesis (Cuhel et al. 1984). As a consequence, day and night metabolisms of microalgae introduced by light/dark cycles potentially will have big impacts on the biomass development, both in growth and biochemical composition. In this study, the effect of the light/dark cycle on the growth and protein synthesis of Dunaliella salina was explored in comparison with continuous light cultivation.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1379-1176 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:151148 Serial 7950
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Author Guzzinati, G.
Title (up) Exploring electron beam shaping in transmission electron microscopy Type Doctoral thesis
Year 2015 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Antwerpen Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:130499 Serial 4180
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Author Vermeyen, T.; Brence, J.; Van Echelpoel, R.; Aerts, R.; Acke, G.; Bultinck, P.; Herrebout, W.
Title (up) Exploring machine learning methods for absolute configuration determination with vibrational circular dichroism Type A1 Journal article
Year 2021 Publication Physical Chemistry Chemical Physics Abbreviated Journal Phys Chem Chem Phys
Volume 23 Issue 35 Pages 19781-19789
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Molecular Spectroscopy (MolSpec)
Abstract The added value of supervised Machine Learning (ML) methods to determine the Absolute Configuration (AC) of compounds from their Vibrational Circular Dichroism (VCD) spectra was explored. Among all ML methods considered, Random Forest (RF) and Feedforward Neural Network (FNN) yield the best performance for identification of the AC. At its best, FNN allows near-perfect AC determination, with accuracy of prediction up to 0.995, while RF combines good predictive accuracy (up to 0.940) with the ability to identify the spectral areas important for the identification of the AC. No loss in performance of either model is observed as long as the spectral sampling interval used does not exceed the spectral bandwidth. Increasing the sampling interval proves to be the best method to lower the dimensionality of the input data, thereby decreasing the computational cost associated with the training of the models.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000691366500001 Publication Date 2021-08-25
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 Open Access OpenAccess
Notes Approved Most recent IF: 4.123
Call Number UA @ admin @ c:irua:180290 Serial 7951
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Author Korneychuk, S.; Partoens, B.; Guzzinati, G.; Ramaneti, R.; Derluyn, J.; Haenen, K.; Verbeeck, J.
Title (up) Exploring possibilities of band gap measurement with off-axis EELS in TEM Type A1 Journal article
Year 2018 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 189 Issue 189 Pages 76-84
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract A technique to measure the band gap of dielectric materials with high refractive index by means of energy electron loss spectroscopy (EELS) is presented. The technique relies on the use of a circular (Bessel) aperture and suppresses Cherenkov losses and surface-guided light modes by enforcing a momentum transfer selection. The technique also strongly suppresses the elastic zero loss peak, making the acquisition, interpretation and signal to noise ratio of low loss spectra considerably better, especially for excitations in the first few eV of the EELS spectrum. Simulations of the low loss inelastic electron scattering probabilities demonstrate the beneficial influence of the Bessel aperture in this setup even for high accelerating voltages. The importance of selecting the optimal experimental convergence and collection angles is highlighted. The effect of the created off-axis acquisition conditions on the selection of the transitions from valence to conduction bands is discussed in detail on a simplified isotropic two band model. This opens the opportunity for deliberately selecting certain transitions by carefully tuning the microscope parameters. The suggested approach is experimentally demonstrated and provides good signal to noise ratio and interpretable band gap signals on reference samples of diamond, GaN and AlN while offering spatial resolution in the nm range. (C) 2018 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000432868500008 Publication Date 2018-03-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.843 Times cited 7 Open Access OpenAccess
Notes ; S.K., B.P. and J.V. acknowledge funding from the “Geconcentreerde Onderzoekacties” (GOA) project “Solarpaint” of the University of Antwerp. S.K. and J.V. also acknowledge the FWO-Vlaanderen for financial support under contract G.0044.13N 'Charge ordering'. Financial support via the Methusalem “NANO” network is acknowledged. GG acknowledges support from a postdoctoral fellowship grant from the Fonds Wetenschappelijk Onderzoek-Vlaanderen (FWO). ; Approved Most recent IF: 2.843
Call Number UA @ lucian @ c:irua:151472UA @ admin @ c:irua:151472 Serial 5026
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Author Ozdemir, I.; Arkin, H.; Milošević, M.V.; V. Barth, J.; Aktuerk, E.
Title (up) Exploring the adsorption mechanisms of neurotransmitter and amino acid on Ti3C2-MXene monolayer : insights from DFT calculations Type A1 Journal article
Year 2024 Publication Surfaces and interfaces Abbreviated Journal
Volume 46 Issue Pages 104169-9
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract In this study, we conducted a systematic density functional theory (DFT) investigation of the interaction between Ti3C2-MXene monolayer and biological molecules dopamine (DA) and serine (Ser) as neurotransmitter and amino acid, respectively. Our calculations show good agreement with previous literature findings for the optimized Ti3C2 monolayer. We found that DA and Ser molecules bind to the Ti3C2 surface with adsorption energies of -2.244 eV and -3.960 eV, respectively. The adsorption of Ser resulted in the dissociation of one H atom. Electronic density of states analyses revealed little changes in the electronic properties of the Ti3C2-MXene monolayer upon adsorption of the biomolecules. We further investigated the interaction of DA and Ser with Ti3C2 monolayers featuring surface -termination with OH functional group, and Ti -vacancy. Our calculations indicate that the adsorption energies significantly decrease in the presence of surface termination, with adsorption energies of -0.097 eV and -0.330 eV for DA and Ser, respectively. Adsorption energies on the Ti -vacancy surface, on the other hand, are calculated to be -3.584 eV and -3.856 eV for DA and Ser, respectively. Our results provide insights into the adsorption behavior of biological molecules on Ti3C2-MXene, demonstrating the potential of this material for biosensing and other biomedical applications. These findings highlight the importance of surface modifications in the development of functional materials and devices based on Ti3C2-MXene, and pave the way for future investigations into the use of 2D materials for biomedical applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001206950300001 Publication Date 2024-03-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2468-0230 ISBN Additional Links UA library record; WoS full record
Impact Factor 6.2 Times cited Open Access
Notes Approved Most recent IF: 6.2; 2024 IF: NA
Call Number UA @ admin @ c:irua:205977 Serial 9150
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Author Jain, N.; Hao, Y.; Parekh, U.; Kaltenegger, M.; Pedrazo-Tardajos, A.; Lazzaroni, R.; Resel, R.; Geerts, Y.H.; Bals, S.; Van Aert, S.
Title (up) Exploring the effects of graphene and temperature in reducing electron beam damage: A TEM and electron diffraction-based quantitative study on Lead Phthalocyanine (PbPc) crystals Type A1 Journal article
Year 2023 Publication Micron Abbreviated Journal
Volume 169 Issue Pages 103444
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract High-resolution transmission electron microscopy (TEM) of organic crystals, such as Lead Phthalocyanine (PbPc), is very challenging since these materials are prone to electron beam damage leading to the breakdown of the crystal structure during investigation. Quantification of the damage is imperative to enable high-resolution imaging of PbPc crystals with minimum structural changes. In this work, we performed a detailed electron diffraction study to quantitatively measure degradation of PbPc crystals upon electron beam irradiation. Our study is based on the quantification of the fading intensity of the spots in the electron diffraction patterns. At various incident dose rates (e/Å2/s) and acceleration voltages, we experimentally extracted the decay rate (1/s), which directly correlates with the rate of beam damage. In this manner, a value for the critical dose (e/Å2) could be determined, which can be used as a measure to quantify beam damage. Using the same methodology, we explored the influence of cryogenic temperatures, graphene TEM substrates, and graphene encapsulation in prolonging the lifetime of the PbPc crystal structure during TEM investigation. The knowledge obtained by diffraction experiments is then translated to real space high-resolution TEM imaging of PbPc.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000965998800001 Publication Date 2023-03-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0968-4328 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.4 Times cited 1 Open Access OpenAccess
Notes This work is supported by FWO and FNRS within the 2Dto3D network of the EOS (Excellence of Science) program (grant number 30489208) and ERC-CoGREALNANO-815128 (to Prof. Dr. Sara Bals). N.J. would like to thank Dr. Kunal S. Mali and Dr. Da Wang for useful and interesting discussions on sample preparation procedures. Approved Most recent IF: 2.4; 2023 IF: 1.98
Call Number EMAT @ emat @c:irua:196069 Serial 7379
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