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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 (up) 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
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Author Hofman, J.; Castanheiro, A.; Nuyts, G.; Joosen, S.; Spassov, S.; Blust, R.; De Wael, K.; Lenaerts, S.; Samson, R.
Title Impact of urban street canyon architecture on local atmospheric pollutant levels and magneto-chemical PM10 composition : an experimental study in Antwerp, Belgium Type A1 Journal article
Year 2019 Publication The science of the total environment Abbreviated Journal Sci Total Environ
Volume 712 Issue (up) 712 Pages 135534
Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Sustainable Energy, Air and Water Technology (DuEL)
Abstract As real-life experimental data on natural ventilation of atmospheric pollution levels in urban street canyons is still scarce and has proven to be complex, this study, experimentally evaluated the impact of an urban street canyon opening on local atmospheric pollution levels, during a 2-week field campaign in a typical urban street canyon in Antwerp, Belgium. Besides following up on atmospheric particulate matter (PM), ultrafine particles (UFPs) and black carbon (BC) levels, the magneto-chemical PM10 composition was quantified to identify contributions of specific elements in enclosed versus open street canyon sections. Results indicated no higher overall PM, UFP and BC concentrations at the enclosed site compared to the open site, but significant day-to-day variability between both monitoring locations, depending on the experienced wind conditions. On days with oblique wind regimes (4 out of 14), natural ventilation was observed at the open location while higher element contributions of Ca, Fe, Co, Ni, Cu, Zn and Sr were exhibited at the enclosed location. Magnetic properties correlated with the PM10 filter loading, and elemental content of Fe, Cr, Mn and Ti. Magnetic bivariate ratios identified finel-grained magnetite carriers with grain sizes below 0.1 μm, indicating similar magnetic source contributions at both monitoring locations. Our holistic approach, combining atmospheric monitoring with magneto-chemical PM characterization has shown the complex impact of real-life wind flow regimes, different source contributions and local traffic dynamics on the resulting pollutant concentrations and contribute to a better understanding on the urban ventilation processes of atmospheric pollution.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000512369600078 Publication Date 2019-11-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0048-9697 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.9 Times cited Open Access
Notes Approved Most recent IF: 4.9
Call Number UA @ admin @ c:irua:165459 Serial 5654
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Author Zhang, H.; Pryds, N.; Park, D.-S.; Gauquelin, N.; Santucci, S.; Christensen, D., V.; Jannis, D.; Chezganov, D.; Rata, D.A.; Insinga, A.R.; Castelli, I.E.; Verbeeck, J.; Lubomirsky, I.; Muralt, P.; Damjanovic, D.; Esposito, V.
Title Atomically engineered interfaces yield extraordinary electrostriction Type A1 Journal article
Year 2022 Publication Nature Abbreviated Journal
Volume 609 Issue (up) 7928 Pages 695-700
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Electrostriction is a property of dielectric materials whereby an applied electric field induces a mechanical deformation proportional to the square of that field. The magnitude of the effect is usually minuscule (<10(-19) m(2) V-2 for simple oxides). However, symmetry-breaking phenomena at the interfaces can offer an efficient strategy for the design of new properties(1,2). Here we report an engineered electrostrictive effect via the epitaxial deposition of alternating layers of Gd2O3-doped CeO2 and Er2O3-stabilized delta-Bi2O3 with atomically controlled interfaces on NdGaO3 substrates. The value of the electrostriction coefficient achieved is 2.38 x 10(-14) m(2) V-2, exceeding the best known relaxor ferroelectrics by three orders of magnitude. Our theoretical calculations indicate that this greatly enhanced electrostriction arises from coherent strain imparted by interfacial lattice discontinuity. These artificial heterostructures open a new avenue for the design and manipulation of electrostrictive materials and devices for nano/micro actuation and cutting-edge sensors.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000859073900001 Publication Date 2022-09-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1476-4687 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 12 Open Access OpenAccess
Notes This research was supported by the BioWings project, funded by the European Union’s Horizon 2020, Future and Emerging Technologies programme (grant no. 801267), and by the Danish Council for Independent Research Technology and Production Sciences for the DFF—Research Project 2 (grant no. 48293). N.P. and D.V.C. acknowledge funding from Villum Fonden for the NEED project (no. 00027993) and from the Danish Council for Independent Research Technology and Production Sciences for the DFF—Research Project 3 (grant no. 00069 B). V.E. acknowledges funding from Villum Fonden for the IRIDE project (no. 00022862). N.G. and J.V. acknowledge funding from the GOA project ('Solarpaint') of the University of Antwerp. The microscope used in this work was partly funded by the Hercules Fund from the Flemish Government. D.J. acknowledges funding from the FWO Project (no. G093417N) from the Flemish Fund for Scientific Research. D.C. acknowledges TOP/BOF funding from the University of Antwerp. This project has received funding from the European Union’s Horizon 2020 Research Infrastructure—Integrating Activities for Advanced Communities—under grant agreement no. 823717-ESTEEM3. We thank T. D. Pomar and A. J. Bergne for English proofreading.; esteem3reported; esteem3TA Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:190576 Serial 7129
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Author Ludu, A.; Van Deun, J.; Milošević, M.V.; Cuyt, A.; Peeters, F.M.
Title Analytic treatment of vortex states in cylindrical superconductors in applied axial magnetic field Type A1 Journal article
Year 2010 Publication Journal of mathematical physics Abbreviated Journal J Math Phys
Volume 51 Issue (up) 8 Pages 082903,1-082903,29
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We solve the linear GinzburgLandau (GL) equation in the presence of a uniform magnetic field with cylindrical symmetry and we find analytic expressions for the eigenfunctions in terms of the confluent hypergeometric functions. The discrete spectrum results from an implicit equation associated to the boundary conditions and it is resolved in analytic form using the continued fractions formalism. We study the dependence of the spectrum and the eigenfunctions on the sample size and the surface conditions for solid and hollow cylindrical superconductors. Finally, the solutions of the nonlinear GL formalism are constructed as expansions in the linear GL eigenfunction basis and selected by minimization of the free energy. We present examples of vortex states and their energies for different samples in enhancing/suppressing superconductivity surroundings.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000281905000026 Publication Date 2010-08-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-2488; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.077 Times cited 10 Open Access
Notes ; ; Approved Most recent IF: 1.077; 2010 IF: 1.291
Call Number UA @ lucian @ c:irua:84880 Serial 106
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Author Volkov, V.V.; van Heurck, C.; van Landuyt, J.; Amelinckx, S.; Zhukov, E.G.; Polulyak, E.S.; Novotortsev, V.M.
Title Electron microscopy and X-ray study of the growth of FeCr2S4 spinel single crystals by chemical vapour transport Type A1 Journal article
Year 1993 Publication Crystal research and technology Abbreviated Journal Cryst Res Technol
Volume 28 Issue (up) 8 Pages 1051-1061
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The growth features of FeCr2S4 spinel single crystals prepared by chemical vapour transport were studied by means of scanning electron microscopy, transmission electron microscopy, high resolution electron microscopy, electron diffraction and X-ray analysis. Our results indicate that the epitaxial growth of the new phases FeCr7S12 and FeCr8S12, both based on the NiAs structure, can essentially inhibit the growth of large FeCr2S4 spinel single crystals in the octahedral habit. The new phases are fully characterised and the effects of defect ordering in these new phases are also reported.
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos A1993MN86700003 Publication Date 2007-01-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0232-1300;1521-4079; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.935 Times cited 1 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:6788 Serial 952
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Author Verbeeck, J.; Bals, S.; Lamoen, D.; Luysberg, M.; Huijben, M.; Rijnders, G.; Brinkman, A.; Hilgenkamp, H.; Blank, D.H.A.; Van Tendeloo, G.
Title Electronic reconstruction at n-type SrTiO3/LaAlO3 interfaces Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 81 Issue (up) 8 Pages 085113,1-085113,6
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Electron-energy-loss spectroscopy (EELS) is used to investigate single layers of LaAlO3 grown on SrTiO3 having an n-type interface as well as multilayers of LaAlO3 and SrTiO3 in which both n- and p-type interfaces occur. Only minor changes in Ti valence at the n-type interface are observed. This finding seems to contradict earlier experiments for other SrTiO3/LaAlO3 systems where large deviations in Ti valency were assumed to be responsible for the conductivity of these interfaces. Ab initio calculations have been carried out in order to interpret our EELS results. Using the concept of Bader charges, it is demonstrated that the so-called polar discontinuity is mainly resolved by lattice distortions and to a far lesser extent by changes in valency for both single layer and multilayer geometries.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000275053300040 Publication Date 2010-02-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 25 Open Access
Notes Esteem 026019; Fwo Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:81768UA @ admin @ c:irua:81768 Serial 1005
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Author Schalm, O.; van der Linden, V.; Frederickx, P.; Luyten, S.; van der Snickt, G.; Caen, J.; Schryvers, D.; Janssens, K.; Cornelis, E.; van Dyck, D.; Schreiner, M.
Title Enamels in stained glass windows: preparation, chemical composition, microstructure and causes of deterioration Type A1 Journal article
Year 2009 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B
Volume 64 Issue (up) 8 Pages 812-820
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Vision lab
Abstract Stained glass windows incorporating dark blue and purple enamel paint layers are in some cases subject to severe degradation while others from the same period survived the ravages of time. A series of dark blue, greenblue and purple enamel glass paints from the same region (Northwestern Europe) and from the same period (16early 20th centuries) has been studied by means of a combination of microscopic X-ray fluorescence analysis, electron probe micro analysis and transmission electron microscopy with the aim of better understanding the causes of the degradation. The chemical composition of the enamels diverges from the average chemical composition of window glass. Some of the compositions appear to be unstable, for example those with a high concentration of K2O and a low content of CaO and PbO. In other cases, the deterioration of the paint layers was caused by the less than optimal vitrification of the enamel during the firing process. Recipes and chemical compositions indicate that glassmakers of the 1617th century had full control over the color of the enamel glass paints they made. They mainly used three types of coloring agents, based on Co (dark blue), Mn (purple) and Cu (light-blue or greenblue) as coloring elements. Bluepurple enamel paints were obtained by mixing two different coloring agents. The coloring agent for redpurple enamel, introduced during the 19th century, was colloidal gold embedded in grains of lead glass.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000269995300018 Publication Date 2009-06-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0584-8547; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.241 Times cited 28 Open Access
Notes Iuap Vi/6; Fwo; Goa Approved Most recent IF: 3.241; 2009 IF: 2.719
Call Number UA @ lucian @ c:irua:79647 Serial 1035
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Author Janssen, W.; Turner, S.; Sakr, G.; Jomard, F.; Barjon, J.; Degutis, G.; Lu, Y.G.; D'Haen, J.; Hardy, A.; Bael, M.V.; Verbeeck, J.; Van Tendeloo, G.; Haenen, K.
Title Substitutional phosphorus incorporation in nanocrystalline CVD diamond thin films Type A1 Journal article
Year 2014 Publication Physica status solidi: rapid research letters Abbreviated Journal Phys Status Solidi-R
Volume 8 Issue (up) 8 Pages 705-709
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Nanocrystalline diamond (NCD) thin films were produced by chemical vapor deposition (CVD) and doped by the addition of phosphine to the gas mixture. The characterization of the films focused on probing the incorporation and distribution of the phosphorus (P) dopants. Electron microscopy evaluated the overall film morphology and revealed the interior structure of the nanosized grains. The homogeneous films with distinct diamond grains featured a notably low sp(2):sp(3)-ratio as confirmed by Raman spectroscopy. High resolution spectroscopy methods demonstrated a homogeneous P-incorporation, both in-depth and in-plane. The P concentration in the films was determined to be in the order of 10(19) cm(-3) with a significant fraction integrated at substitutional donor sites. (C) 2014 WILEY-VCH Verlag GmbH Co. KGaA, Weinheim
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000340484100007 Publication Date 2014-06-05
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 3.032 Times cited 20 Open Access
Notes Fwo G055510n; G056810n; G.045612; 246791 Countatoms; 312483 Esteem2; esteem2_jra3 Approved Most recent IF: 3.032; 2014 IF: 2.142
Call Number UA @ lucian @ c:irua:119220 Serial 3346
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Author Tao, X.Y.; Zhang, X.B.; Zhang, L.; Cheng, J.P.; Liu, F.; Luo, J.H.; Luo, Z.Q.; Geise, H.J.
Title Synthesis of multi-branched porous carbon nanofibers and their application in electrochemical double-layer capacitors Type A1 Journal article
Year 2006 Publication Carbon Abbreviated Journal Carbon
Volume 44 Issue (up) 8 Pages 1425-1428
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000237765000008 Publication Date 2006-01-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.337 Times cited 77 Open Access
Notes Approved Most recent IF: 6.337; 2006 IF: 3.884
Call Number UA @ lucian @ c:irua:59477 Serial 3458
Permanent link to this record
 
 
Author Schrittwieser, S.; Pelaz, B.; Parak, W.J.; Lentijo-Mozo, S.; Soulantica, K.; Dieckhoff, J.; Ludwig, F.; Altantzis, T.; Bals, S.; Schotter, J.
Title Homogeneous Protein Analysis by Magnetic Core-Shell Nanorod Probes Type A1 Journal article
Year 2016 Publication ACS applied materials and interfaces Abbreviated Journal Acs Appl Mater Inter
Volume 8 Issue (up) 8 Pages 8893-8899
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Studying protein interactions is of vital importance both to fundamental biology research and to medical applications. Here, we report on the experimental proof of a universally applicable label-free homogeneous platform for rapid protein analysis. It is based on optically detecting changes in the rotational dynamics of magnetically agitated core-shell nanorods upon their specific interaction with proteins. By adjusting the excitation frequency, we are able to optimize the measurement signal for each analyte protein size. In addition, due to the locking of the optical signal to the magnetic excitation frequency, background signals are suppressed, thus allowing exclusive studies of processes at the nanoprobe surface only. We study target proteins (soluble domain of the human epidermal growth factor receptor 2 – sHER2) specifically binding to antibodies (trastuzumab) immobilized on the surface of our nanoprobes and demonstrate direct deduction of their respective sizes. Additionally, we examine the dependence of our measurement signal on the concentration of the analyte protein, and deduce a minimally detectable sHER2 concentration of 440 pM. For our homogeneous measurement platform, good dispersion stability of the applied nanoprobes under physiological conditions is of vital importance. To that end, we support our measurement data by theoretical modeling of the total particle-particle interaction energies. The successful implementation of our platform offers scope for applications in biomarker-based diagnostics as well as for answering basic biology questions.
Address Molecular Diagnostics, AIT Austrian Institute of Technology , Vienna, Austria
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000374274900007 Publication Date 2016-03-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1944-8244 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.504 Times cited 16 Open Access OpenAccess
Notes The authors thank Frauke Alves, Julia Bode and Fernanda Ramos Gomes from the Max-Planck-Institute of Experimental Medicine in Göttingen for providing the trastuzumab antibody in form of the Herceptin therapeutic drug. The figure showing the measurement principle has been created by Darragh Crotty (www.darraghcrotty.com). Parts of this research were supported by the European Commission FP7 NAMDIATREAM project (EU NMP4-LA-2010−246479), by the German research foundation (DFG grant GRK 1782 to W.J.P.), and by the European Research Council (ERC Starting Grant #335078 Colouratom). B.P. acknowledges a PostDoctoral fellowship from the Alexander von Humboldt foundation. (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ; ECAS_Sara; Approved Most recent IF: 7.504
Call Number c:irua:132889 Serial 4059
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Author Turner, S.; Idrissi, H.; Sartori, A.F.; Korneychuck, S.; Lu, Y.-G.; Verbeeck, J.; Schreck, M.; Van Tendeloo, G.
Title Direct imaging of boron segregation at dislocations in B:diamond heteroepitaxial films Type A1 Journal article
Year 2016 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 8 Issue (up) 8 Pages 2212-2218
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract A thin film of heavily B-doped diamond has been grown epitaxially by microwave plasma chemical vapor deposition on an undoped diamond layer, on top of a Ir/YSZ/Si(001) substrate stack, to study the boron segregation and boron environment at the dislocations present in the film. The density and nature of the dislocations were investigated by conventional and weak-beam dark-field transmission electron microscopy techniques, revealing the presence of two types of dislocations: edge and mixed-type 45 degrees dislocations. The presence and distribution of B in the sample was studied using annular dark-field scanning transmission electron microscopy and spatially resolved electron energy-loss spectroscopy. Using these techniques, a segregation of B at the dislocations in the film is evidenced, which is shown to be intermittent along the dislocation. A single edge-type dislocation was selected to study the distribution of the boron surrounding the dislocation core. By imaging this defect at atomic resolution, the boron is revealed to segregate towards the tensile strain field surrounding the edge-type dislocations. An investigation of the fine structure of the B-K edge at the dislocation core shows that the boron is partially substitutionally incorporated into the diamond lattice and partially present in a lower coordination (sp(2)-like hybridization).
Address EMAT, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp, Belgium. stuart.turner@uantwerpen.be
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000368860900053 Publication Date 2015-12-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited 15 Open Access
Notes S. T. acknowledges the fund for scien tific research Flanders (FWO) for a post-doctoral scholarship and under contract number G.0044.13N Approved Most recent IF: 7.367
Call Number c:irua:131597UA @ admin @ c:irua:131597 Serial 4121
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Author Lu, A.K.A.; Houssa, M.; Radu, I.P.; Pourtois, G.
Title Toward an understanding of the electric field-induced electrostatic doping in van der Waals heterostructures : a first-principles study Type A1 Journal article
Year 2017 Publication ACS applied materials and interfaces Abbreviated Journal Acs Appl Mater Inter
Volume 9 Issue (up) 8 Pages 7725-7734
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Since the discovery of graphene, a broad range of two-dimensional (2D) materials has captured the attention of the scientific communities. Materials, such as hexagonal boron nitride (hBN) and the transition metal dichalcogenides (TMDs) family, have shown promising semiconducting and insulating properties that are very appealing for the semiconductor industry. Recently, the possibility of taking advantage of the properties of 2D-based heterostructures has been investigated for low-power nanoelectronic applications. In this work, we aim at evaluating the relation between the nature of the materials used in such heterostructures and the amplitude of the layer-to-layer charge transfer induced by an external electric field, as is typically present in nanoelectronic gated devices. A broad range of combinations of TMDs, graphene, and hBN has been investigated using density functional theory. Our results show that the electric field induced charge transfer strongly depends on the nature of the 2D materials used in the van der Waals heterostructures and to a lesser extent on the relative orientation of the materials in the structure. Our findings contribute to the building of the fundamental understanding required to engineer electrostatically the doping of 2D materials and to establish the factors that drive the charge transfer mechanisms in electron tunneling-based devices. These are key ingredients for the development of 2D -based nanoelectronic devices.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000395494200119 Publication Date 2017-02-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1944-8244 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.504 Times cited 10 Open Access Not_Open_Access
Notes Approved Most recent IF: 7.504
Call Number UA @ lucian @ c:irua:142483 Serial 4696
Permanent link to this record
 
 
Author Hoffman, B.M.; Lukoyanov, D.; Yang, Z.-Y.; Dean, D.R.; Seefeldt, L.C.
Title Mechanism of Nitrogen Fixation by Nitrogenase: The Next Stage Type A1 Journal Article
Year 2014 Publication Chemical Reviews Abbreviated Journal Chem. Rev.
Volume 114 Issue (up) 8 Pages 4041-4062
Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract Ammonia is a crucial nutrient used for plant growth and as a building block in pharmaceutical and chemical industry, produced via nitrogen fixation of the ubiquitous atmospheric N2. Current industrial ammonia production relies heavily on fossil resources, but a lot of work is put into developing non-fossil based pathways. Among these is the use of nonequilibrium plasma. In this work, we investigated water vapor as H source for nitrogen fixation into NH3 by non-equilibrium plasma. The highest selectivity towards NH3 was observed with low amounts of added H2O vapor, but the highest production rate was reached at high H2O vapor.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2014-04-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0009-2665 ISBN Additional Links
Impact Factor Times cited Open Access
Notes We would like to thank Sylvia Dewilde (Department of Biomedical Sciences) for providing analytical equipment. Approved no
Call Number PLASMANT @ plasmant @ Serial 6337
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Author Marimuthu, P.; Razzokov, J.; Singaravelu, K.; Bogaerts, A.
Title Predicted Hotspot Residues Involved in Allosteric Signal Transmission in Pro-Apoptotic Peptide—Mcl1 Complexes Type A1 Journal article
Year 2020 Publication Biomolecules Abbreviated Journal Biomolecules
Volume 10 Issue (up) 8 Pages 1114
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Mcl1 is a primary member of the Bcl–2 family—anti–apoptotic proteins (AAP)—that is overexpressed in several cancer pathologies. The apoptotic regulation is mediated through the binding of pro-apoptotic peptides (PAPs) (e.g., Bak and Bid) at the canonical hydrophobic binding groove (CBG) of Mcl1. Although all PAPs form amphipathic α-helices, their amino acid sequences vary to different degree. This sequence variation exhibits a central role in the binding partner selectivity towards different AAPs. Thus, constructing a novel peptide or small organic molecule with the ability to mimic the natural regulatory process of PAP is essential to inhibit various AAPs. Previously reported experimental binding free energies (BFEs) were utilized in the current investigation aimed to understand the mechanistic basis of different PAPs targeted to mMcl1. Molecular dynamics (MD) simulations used to estimate BFEs between mMcl1—PAP complexes using Molecular Mechanics-Generalized Born Solvent Accessible (MMGBSA) approach with multiple parameters. Predicted BFE values showed an excellent agreement with the experiment (R2 = 0.92). The van–der Waals (ΔGvdw) and electrostatic (ΔGele) energy terms found to be the main energy components that drive heterodimerization of mMcl1—PAP complexes. Finally, the dynamic network analysis predicted the allosteric signal transmission pathway involves more favorable energy contributing residues. In total, the results obtained from the current investigation may provide valuable insights for the synthesis of a novel peptide or small organic inhibitor targeting Mcl1.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000578895600001 Publication Date 2020-07-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2218-273X ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes P.M. gratefully acknowledges the use of the bioinformatics infrastructure facility supported by Biocenter Finland and the CSC-IT Center for Science (Project: 2000461) for the computational facility; Jukka Lehtonen for the IT support; Mark Johnson (SBL) Åbo Akademi University for providing the lab support and Outi Salo-Ahen (Pharmacy) Åbo Akademi University and Olli T. Pentikäinen (Institute of Biomedicine) University of Turku, for their valuable support and discussion. Approved Most recent IF: NA
Call Number PLASMANT @ plasmant @c:irua:170486 Serial 6396
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Author Duden, E.I.; Savaci, U.; Turan, S.; Sevik, C.; Demiroglu, I.
Title Intercalation of argon in honeycomb structures towards promising strategy for rechargeable Li-ion batteries Type A1 Journal article
Year 2023 Publication Journal of physics : condensed matter Abbreviated Journal
Volume 35 Issue (up) 8 Pages 085301-85311
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract High-performance rechargeable batteries are becoming very important for high-end technologies with their ever increasing application areas. Hence, improving the performance of such batteries has become the main bottleneck to transferring high-end technologies to end users. In this study, we propose an argon intercalation strategy to enhance battery performance via engineering the interlayer spacing of honeycomb structures such as graphite, a common electrode material in lithium-ion batteries (LIBs). Herein, we systematically investigated the LIB performance of graphite and hexagonal boron nitride (h-BN) when argon atoms were sent into between their layers by using first-principles density-functional-theory calculations. Our results showed enhanced lithium binding for graphite and h-BN structures when argon atoms were intercalated. The increased interlayer space doubles the gravimetric lithium capacity for graphite, while the volumetric capacity also increased by around 20% even though the volume was also increased. The ab initio molecular dynamics simulations indicate the thermal stability of such graphite structures against any structural transformation and Li release. The nudged-elastic-band calculations showed that the migration energy barriers were drastically lowered, which promises fast charging capability for batteries containing graphite electrodes. Although a similar level of battery promise was not achieved for h-BN material, its enhanced battery capabilities by argon intercalation also support that the argon intercalation strategy can be a viable route to enhance such honeycomb battery electrodes.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000899825400001 Publication Date 2022-12-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record
Impact Factor 2.7 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.7; 2023 IF: 2.649
Call Number UA @ admin @ c:irua:193399 Serial 7313
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Author Verbueken, A.H.; Van Grieken, R.E.; Paulus, G.J.; De Bruijn, W.C.
Title Embedded ion exchange beads as standards for laser microprobe mass analysis of biological specimens Type A1 Journal article
Year 1984 Publication Analytical chemistry Abbreviated Journal
Volume 56 Issue (up) 8 Pages 1362-1370
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1984SX51800045 Publication Date 2005-03-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2700; 5206-882x 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:116520 Serial 7898
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Author Demiroglu, I.; Sevik, C.
Title Extraordinary negative thermal expansion of two-dimensional nitrides : a comparative ab initio study of quasiharmonic approximation and molecular dynamics simulations Type A1 Journal article
Year 2021 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 103 Issue (up) 8 Pages 085430
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Thermal expansion behavior of two-dimensional (2D) nitrides and graphene were studied by ab initio molecular dynamics (MD) simulations as well as quasiharmonic approximation (QHA). Anharmonicity of the acoustic phonon modes are related to the unusual negative thermal expansion (NTE) behavior of the nitrides. Our results also hint that direct ab initio MD simulations are a more elaborate method to investigate thermal expansion behavior of 2D materials than the QHA. Nevertheless, giant NTE coefficients are found for h-GaN and h-AlN within the covered temperature range 100-600 K regardless of the chosen computational method. This unusual NTE of 2D nitrides is reasoned with the out-of-plane oscillations related to the rippling behavior of the monolayers.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000620346100007 Publication Date 2021-02-22
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 Open Access OpenAccess
Notes Approved Most recent IF: 3.836
Call Number UA @ admin @ c:irua:176671 Serial 7956
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Author Lu, Y.-G.; Turner, S.; Ekimov, E.A.; Verbeeck, J.; Van Tendeloo, G.
Title Boron-rich inclusions and boron distribution in HPHT polycrystalline superconducting diamond Type A1 Journal article
Year 2015 Publication Carbon Abbreviated Journal Carbon
Volume 86 Issue (up) 86 Pages 156-162
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Polycrystalline boron-doped superconducting diamond, synthesized at high pressure and high temperature (HPHT) via a reaction of a single piece of crystalline boron with monolithic graphite, has been investigated by analytical transmission electron microscopy. The local boron distribution and boron environment have been studied by a combination of (scanning) transmission electron microscopy ((S)TEM) and spatially resolved electron energy-loss spectroscopy (EELS). High resolution TEM imaging and EELS elemental mapping have established, for the first time, the presence of largely crystalline diamond-diamond grain boundaries within the material and have evidenced the presence of substitutional boron dopants within individual diamond grains. Confirmation of the presence of substitutional B dopants has been obtained through comparison of acquired boron K-edge EELS fine structures with known references. This confirmation is important to understand the origin of superconductivity in polycrystalline B-doped diamond. In addition to the substitutional boron doping, boron-rich inclusions and triple-points, both amorphous and crystalline, with chemical compositions close to boron carbide B4C, are evidenced. (C) 2015 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000352922700019 Publication Date 2015-01-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.337 Times cited 20 Open Access
Notes FWO; 246791 COUNTATOMS; 278510 VORTEX; Hercules ECASJO_; Approved Most recent IF: 6.337; 2015 IF: 6.196
Call Number c:irua:125994UA @ admin @ c:irua:125994 Serial 250
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Author Javon, E.; Gaceur, M.; Dachraoui, W.; Margeat, O.; Ackermann, J.; Ilenia Saba, M.; Delugas, P.; Mattoni, A.; Bals, S.; Van Tendeloo, G.
Title Competing forces in the self-assembly of coupled ZnO nanopyramids Type A1 Journal article
Year 2015 Publication ACS nano Abbreviated Journal Acs Nano
Volume 9 Issue (up) 9 Pages 3685-3694
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Self-assembly (SA) of nanostructures has recently gained increasing interest. A clear understanding of the process is not straightforward since SA of nanoparticles is a complex multiscale phenomenon including different driving forces. Here, we study the SA between aluminum doped ZnO nanopyramids into couples by combining inorganic chemistry and advanced electron microscopy techniques with atomistic simulations. Our results show that the SA of the coupled nanopyramids is controlled first by morphology, as coupling only occurs in the case of pyramids with well-developed facets of the basal planes. The combination of electron microscopy and atomistic modeling reveals that the coupling is further driven by strong ligandligand interaction between the bases of the pyramids as dominant force, while screening effects due to Al doping or solvent as well as corecore interaction are only minor contributions. Our combined approach provides a deeper understanding of the complex interplay between the interactions at work in the coupled SA of ZnO nanopyramids.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000353867000030 Publication Date 2015-03-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1936-0851;1936-086X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.942 Times cited 21 Open Access OpenAccess
Notes Esmi; 335078 Colouratom; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 13.942; 2015 IF: 12.881
Call Number c:irua:125978 Serial 434
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Author Chen, B.; Sahin, H.; Suslu, A.; Ding, L.; Bertoni, M.I.; Peeters, F.M.; Tongay, S.
Title Environmental changes in MoTe2 excitonic dynamics by defects-activated molecular interaction Type A1 Journal article
Year 2015 Publication ACS nano Abbreviated Journal Acs Nano
Volume 9 Issue (up) 9 Pages 5326-5332
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Monolayers of group VI transition metal dichalcogenides possess direct gaps in the visible spectrum with the exception of MoTe2, where its gap is suitably located in the infrared region but its stability is of particular interest, as tellurium compounds are acutely sensitive to oxygen exposure. Here, our environmental (time-dependent) measurements reveal two distinct effects on MoTe2 monolayers: For weakly luminescent monolayers, photoluminescence signal and optical contrast disappear, as if they are decomposed, but yet remain intact as evidenced by AFM and Raman measurements. In contrast, strongly luminescent monolayers retain their optical contrast for a prolonged amount of time, while their PL peak blue-shifts and PL intensity saturates to slightly lower values. Our X-ray photoelectron spectroscopy measurements and DFT calculations suggest that the presence of defects and functionalization of these defect sites with O-2 molecules strongly dictate their material properties and aging response by changing the excitonic dynamics due to deep or shallow states that are created within the optical band gap. Presented results not only shed light on environmental effects on fundamental material properties and excitonic dynamics of MoTe2 monolayers but also highlight striking material transformation for metastable 20 systems such as WTe2, silicone, and phosphorene.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000355383000068 Publication Date 2015-04-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1936-0851;1936-086X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.942 Times cited 150 Open Access
Notes ; This work was supported by the Arizona State University seeding program. The authors thank Hui Cai and Kedi Wu for useful discussions. We gratefully acknowledge the use of facilities at the LeRoy Eyring Center for Solid State Science at Arizona State University. This work was supported by the Flemish Science Foundation (FWO-VI) and the Methusalem Foundation of the Flemish government. H.S. is supported by a FWO Pegasus Long Marie Curie Fellowship. ; Approved Most recent IF: 13.942; 2015 IF: 12.881
Call Number c:irua:126441 Serial 1068
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Author Kanda, A.; Baelus, B.J.; Vodolazov, D.Y.; Berger, J.; Furugen, R.; Ootuka, Y.; Peeters, F.
Title Evidence for a different type of vortex that mediates a continuous fluxoid-state transition in a mesoscopic superconducting ring Type A1 Journal article
Year 2007 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 76 Issue (up) 9 Pages 094519,1-8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000249786100089 Publication Date 2007-09-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 17 Open Access
Notes Approved Most recent IF: 3.836; 2007 IF: 3.172
Call Number UA @ lucian @ c:irua:66609 Serial 1092
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Author Teodorescu, V.S.; Mihailescu, I.N.; Gyorgy, E.; Luches, A.; Martino, M.; Nistor, L.C.; van Landuyt, J.; Hermann, J.
Title The study of a crater forming on the surface of a Ti target submitted to multipulse excimer laser irradiation under low pressure N2 Type A1 Journal article
Year 1996 Publication Journal of modern optics Abbreviated Journal J Mod Optic
Volume 43 Issue (up) 9 Pages 1773-1784
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A Ti target was submitted to laser ablation in low ambient pressure N-2. Electron microscopy examination of the cross-section of the crater zone forming on the Ti target, and XPS analyses, indicate that there is a small effect on the nitridation processes taking place on and in the vicinity of the target. The studies show a zone influenced by the multipulse laser treatment extending beneath the crater down to a depth of the same order of magnitude as the crater depth (i.e. similar to 10 mu m). In this zone, TiN could be identified as being present only in traces, while the whole zone exhibited a layer structure with differences in morphology and mechanical wear.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1996VF31900002 Publication Date 2007-07-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0950-0340;1362-3044; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.008 Times cited 11 Open Access
Notes Approved PHYSICS, APPLIED 47/145 Q2 #
Call Number UA @ lucian @ c:irua:95238 Serial 3594
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Author van den Broek, B.; Houssa, M.; Lu, A.; Pourtois, G.; Afanas'ev, V.; Stesmans, A.
Title Silicene nanoribbons on transition metal dichalcogenide substrates : effects on electronic structure and ballistic transport Type A1 Journal article
Year 2016 Publication Nano Research Abbreviated Journal Nano Res
Volume 9 Issue (up) 9 Pages 3394-3406
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The idea of stacking multiple monolayers of different two-dimensional materials has become a global pursuit. In this work, a silicene armchair nanoribbon of width W and van der Waals-bonded to different transition-metal dichalcogenide (TMD) bilayer substrates MoX2 and WX2, where X = S, Se, Te is considered. The orbital resolved electronic structure and ballistic transport properties of these systems are simulated by employing van der Waals-corrected density functional theory and nonequilibrium Green's functions. We find that the lattice mismatch with the underlying substrate determines the electronic structure, correlated with the silicene buckling distortion and ultimately with the contact resistance of the two-terminal system. The smallest lattice mismatch, obtained with the MoTe2 substrate, results in the silicene ribbon properties coming close to those of a freestanding one. With the TMD bilayer acting as a dielectric layer, the electronic structure is tunable from a direct to an indirect semiconducting layer, and subsequently to a metallic electronic dispersion layer, with a moderate applied perpendicular electric field.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000386770300018 Publication Date 2016-08-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1998-0124 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.354 Times cited 2 Open Access
Notes Approved Most recent IF: 7.354
Call Number UA @ lucian @ c:irua:138210 Serial 4469
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Author Fedoseeva, Y.V.; Orekhov, A.S.; Chekhova, G.N.; Koroteev, V.O.; Kanygin, M.A.; Seovskiy, B.V.; Chuvilin, A.; Pontiroli, D.; Ricco, M.; Bulusheva, L.G.; Okotrub, A.V.
Title Single-walled carbon nanotube reactor for redox transformation of mercury dichloride Type A1 Journal article
Year 2017 Publication ACS nano Abbreviated Journal Acs Nano
Volume 11 Issue (up) 9 Pages 8643-8649
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract <script type='text/javascript'>document.write(unpmarked('Single-walled carbon nanotubes (SWCNTs) possessing a confined inner space protected by chemically resistant shells are promising for delivery, storage, and desorption of various compounds, as well as carrying out specific reactions. Here, we show that SWCNTs interact with molten mercury dichloride (HgCl2) and guide its transformation into dimercury dichloride (Hg2Cl2) in the cavity. The chemical state of host SWCNTs remains almost unchanged except for a small p-doping from the guest Hg2Cl2 nanocrystals. The density functional theory calculations reveal that the encapsulated HgCl2 molecules become negatively charged and start interacting via chlorine bridges when local concentration increases. This reduces the bonding strength in HgCl2, which facilitates removal of chlorine, finally leading to formation of Hg2Cl2 species. The present work demonstrates that SWCNTs not only serve as a template for growing nanocrystals but also behave as an electron-transfer catalyst in the spatially confined redox reaction by donation of electron density for temporary use by the guests.'));
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000411918200012 Publication Date 2017-08-07
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 11 Open Access Not_Open_Access
Notes ; Collaboration between partner institutions was partially supported by European FP7 IRSES project 295180. We are grateful to the bilateral Program “Russian-German Laboratory at BESSY II” for the assistance in XPS and NEXAFS measurements. We acknowledge C. Tollan for proofreading the manuscript. We are grateful to Dr. Y.V. Shubin for XRD measurements of graphite with HgCl<INF>2</ INF>. ; Approved Most recent IF: 13.942
Call Number UA @ lucian @ c:irua:146770 Serial 4895
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Author Bartholomeeusen, E.; De Cremer, G.; Kennes, K.; Hammond, C.; Hermans, I.; Lu, J.-B.; Schryvers, D.; Jacobs, P.A.; Roeffaers, M.B.J.; Hofkens, J.; Sels, B.F.; Coutino-Gonzalez, E.
Title Optical encoding of luminescent carbon nanodots in confined spaces Type A1 Journal article
Year 2021 Publication Chemical Communications Abbreviated Journal Chem Commun
Volume 57 Issue (up) 90 Pages 11952-11955
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Stable emissive carbon nanodots were generated in zeolite crystals using near infrared photon irradiation gradually converting the occluded organic template, originally used to synthesize the zeolite crystals, into discrete luminescent species consisting of nano-sized carbogenic fluorophores, as ascertained using Raman microscopy, and steady-state and time-resolved spectroscopic techniques. Photoactivation in a confocal laser fluorescence microscope allows 3D resolved writing of luminescent carbon nanodot patterns inside zeolites providing a cost-effective and non-toxic alternative to previously reported metal-based nanoclusters confined in zeolites, and opens up opportunities in bio-labelling and sensing applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000711122000001 Publication Date 2021-10-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-7345; 1364-548x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.319 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 6.319
Call Number UA @ admin @ c:irua:184147 Serial 6876
Permanent link to this record
 
 
Author Nishio, K.; Lu, A.K.A.; Pourtois, G.
Title Low-strain Si/O superlattices with tunable electronic properties : ab initio calculations Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 91 Issue (up) 91 Pages 165303
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We propose that low-strain Si/O superlattices can be constructed by connecting reconstructed Si{001} surfaces by Si-O-Si bridges. Ab initio calculations show that our models are energetically more favorable than all the models proposed so far. The part of our Si/O superlattice model is experimentally accessible just by oxidizing a Si( 001) substrate. To complete our Si/O superlattice model, we propose a three-step method. We also explore the potential of our Si/O superlattice models for new materials used in future Si electronics. We find that the location of the channel where the carriers travel can be controlled between the interfaces and the Si layers by the insertion of O atoms into the Si-Si dimers. By revealing the origins of the interface electron and hole states, we find that similar interface states should be easily achieved for Si slabs and Si substrates. Interestingly, the interface electrons and holes have small effective masses in the direction parallel to the channel and large effective masses in the direction normal to the channel, which makes the Si/O superlattices attractive to be used for channel materials. We also find that the valley splitting of Si is enhanced by the formation of the Si/O/Si interfaces, which is ideal for developing Si-based qubits. Our findings open new perspectives to design and control the electronic properties of Si.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000352986700002 Publication Date 2015-04-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 6 Open Access
Notes Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number c:irua:125998 Serial 1852
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Author Aierken, Y.; Sahin, H.; Iyikanat, F.; Horzum, S.; Suslu, A.; Chen, B.; Senger, R.T.; Tongay, S.; Peeters, F.M.
Title Portlandite crystal : bulk, bilayer, and monolayer structures Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 91 Issue (up) 91 Pages 245413
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Ca(OH)(2) crystals, well known as portlandite, are grown in layered form, and we found that they can be exfoliated on different substrates. We performed first principles calculations to investigate the structural, electronic, vibrational, and mechanical properties of bulk, bilayer, and monolayer structures of this material. Different from other lamellar structures such as graphite and transition-metal dichalcogenides, intralayer bonding in Ca(OH)(2) is mainly ionic, while the interlayer interaction remains a weak dispersion-type force. Unlike well-known transition-metal dichalcogenides that exhibit an indirect-to-direct band gap crossover when going from bulk to a single layer, Ca(OH)(2) is a direct band gap semiconductor independent of the number layers. The in-plane Young's modulus and the in-plane shear modulus of monolayer Ca(OH)(2) are predicted to be quite low while the in-plane Poisson ratio is larger in comparison to those in the monolayer of ionic crystal BN. We measured the Raman spectrum of bulk Ca(OH)(2) and identified the high-frequency OH stretching mode A(1g) at 3620 cm(-1). In this study, bilayer and monolayer portlandite [Ca(OH)(2)] are predicted to be stable and their characteristics are analyzed in detail. Our results can guide further research on ultrathin hydroxites.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000356135600007 Publication Date 2015-06-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 29 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. is supported by a FWO Pegasus Long Marie Curie Fellowship. ; Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number c:irua:126983 Serial 2675
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Author Clark, L.; Guzzinati, G.; Béché, A.; Lubk, A.; Verbeeck, J.
Title Symmetry-constrained electron vortex propagation Type A1 Journal article
Year 2016 Publication Physical review A Abbreviated Journal Phys Rev A
Volume 93 Issue (up) 93 Pages 063840
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Electron vortex beams hold great promise for development in transmission electron microscopy but have yet to be widely adopted. This is partly due to the complex set of interactions that occur between a beam carrying orbital angular momentum (OAM) and a sample. Herein, the system is simplified to focus on the interaction between geometrical symmetries, OAM, and topology. We present multiple simulations alongside experimental data to study the behavior of a variety of electron vortex beams after interacting with apertures of different symmetries and investigate the effect on their OAM and vortex structure, both in the far field and under free-space propagation.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000378197200006 Publication Date 2016-06-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9926 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.925 Times cited 7 Open Access
Notes L.C., A.B., G.G., and J.V. acknowledge funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant No. 278510—VORTEX. J.V. and A.L. acknowledge financial support from the European Union through the 7th Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative (Reference No. 312483 ESTEEM2). The Qu-Ant-EM microscope was partly funded by the Hercules fund of the Flemish Government.; esteem2jra3; ECASJO; Approved Most recent IF: 2.925
Call Number c:irua:134086 c:irua:134086 Serial 4090
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Author Juchtmans, R.; Clark, L.; Lubk, A.; Verbeeck, J.
Title Spiral phase plate contrast in optical and electron microscopy Type A1 Journal article
Year 2016 Publication Physical review A Abbreviated Journal Phys Rev A
Volume 94 Issue (up) 94 Pages 023838
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The use of phase plates in the back focal plane of a microscope is a well-established technique in optical microscopy to increase the contrast of weakly interacting samples and is gaining interest in electron microscopy as well. In this paper we study the spiral phase plate (SPP), also called helical, vortex, or two-dimensional Hilbert phase plate, which adds an angularly dependent phase of the form exp(iℓϕk) to the exit wave in Fourier space. In the limit of large collection angles, we analytically calculate that the average of a pair of l=+-1

SPP filtered images is directly proportional to the gradient squared of the exit wave, explaining the edge contrast previously seen in optical SPP work. We discuss the difference between a clockwise-anticlockwise pair of SPP filtered images and derive conditions under which the modulus of the wave's gradient can be seen directly from one SPP filtered image. This work provides the theoretical background to interpret images obtained with a SPP, thereby opening new perspectives for new experiments to study, for example, magnetic materials in an electron microscope.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000381882800011 Publication Date 2016-08-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9926 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.925 Times cited 10 Open Access
Notes The authors acknowledge support from the FWO (Aspirant Fonds Wetenschappelijk Onderzoek – Vlaanderen) and the EU under the Seventh Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative, Reference No. 312483-ESTEEM2 and ERC Starting Grant No. 278510 VORTEX.; ECASJO_ Approved Most recent IF: 2.925
Call Number EMAT @ emat @ c:irua:140086 Serial 4418
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Author Baelus, B.J.; Kadowaki, K.; Peeters, F.M.
Title Influence of surface defects on the vortex transitions in mesoscopic superconductors Type A1 Journal article
Year 2006 Publication AIP conference proceedings Abbreviated Journal
Volume 850 Issue (up) a-b Pages 745-746
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Solving the nonlinear Ginzburg-Landau equations self-consistently, we investigate the influence of a triangular surface defect (i.e. pacman shaped sample) on the vortex transitions in mesoscopic superconducting disks. Depending on the size of the defect, vortices may enter/leave one by one or in pairs.
Address
Corporate Author Thesis
Publisher 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 0094-243x 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:94704 Serial 1639
Permanent link to this record