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Author Al-Emam, E.; Soenen, H.; Caen, J.; Janssens, K. url  doi
openurl 
  Title Characterization of polyvinyl alcohol-borax/agarose (PVA-B/AG) double network hydrogel utilized for the cleaning of works of art Type A1 Journal article
  Year 2020 Publication Heritage science Abbreviated Journal  
  Volume 8 Issue 1 Pages 106  
  Keywords A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)  
  Abstract Since cleaning of artworks may cause undesirable physicochemical alterations and is a nonreversible procedure, it is mandatory to adopt the proper cleaning procedure. Such a procedure should remove undesired materials whilst preserving the original surface. In this regard, numerous gels have been developed and exploited for the cleaning of various artwork surfaces. Lately, agarose (AG) and polyvinyl alcohol-borax (PVA-B) hydrogels have been widely employed as cleaning tools by conservators. Both hydrogels show some limitations in specific cleaning practices. In this work, we investigated the influence of including increased levels of agarose into PVA-B systems. For this reason, we performed a detailed characterization on the double network (DN) hydrogel including the chemical structure, the liquid phase retention, the rheological behavior, and the self-healing behavior of various PVA-B/AG double network hydrogels. These new hydrogels revealed better properties than PVA-B hydrogels and obviated their limitations. The inclusion of AG into PVA-B systems enhanced the liquid retention capacity, shape-stability, and mechanical strength of the blend. Furthermore, AG minimized the expelling/syneresis issue that occurs when loading PVA-B systems with low polarity solvents or chelating agents. The resultant double network hydrogel exhibits relevant self-healing properties. The PVA-B/AG double network is a new and useful cleaning tool that can be added to the conservators' tool-kit. It is ideal for cleaning procedures dealing with porous and complex structured surfaces, vertical surfaces and for long time applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000580572500001 Publication Date 2020-10-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7445 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.5 Times cited 1 Open Access  
  Notes ; Ehab Al-Emam thanks the Egyptian Ministry of Higher Education for funding his Ph.D. scholarship in addition to being grateful to University of Antwerp for additional funding. ; Approved (up) Most recent IF: 2.5; 2020 IF: NA  
  Call Number UA @ admin @ c:irua:173594 Serial 6466  
Permanent link to this record
 

 
Author Simonsen, K.P.; Poulsen, J.N.; Vanmeert, F.; Ryhl-Svendsen, M.; Bendix, J.; Sanyova, J.; Janssens, K.; Mederos-Henry, F. url  doi
openurl 
  Title Formation of zinc oxalate from zinc white in various oil binding media: the influence of atmospheric carbon dioxide by reaction with 13CO2 Type A1 Journal article
  Year 2020 Publication Heritage science Abbreviated Journal  
  Volume 8 Issue 1 Pages 126  
  Keywords A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The formation of metal oxalates in paintings has recently gained a great deal of interest within the field of heritage science as several types of oxalate compounds have been identified in oil paintings. The present work investigates the formation of metal oxalates in linseed oil in the presence of the artists' pigments zinc white, calcite, lead white, zinc yellow, chrome yellow, cadmium yellow, cobalt violet, and verdigris. The oil paint films were artificially photo-aged by exposure to UVA light at low and high relative humidity, and afterwards analysed by attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR). The results showed that, compared to the other pigments investigated, zinc white is especially prone to metal oxalate formation and that high humidity is a crucial factor in this process. Consequently, the reactivity and photo-aging of ZnO in various oil binding media was investigated further under simulated solar radiation and at high relative humidity levels. ATR-FTIR showed that zinc oxalate is formed in all oil binding media while X-ray powder diffraction (PXRD) revealed it was mainly present in an amorphous state. To examine whether atmospheric CO2(g) has any influence on the formation of zinc oxalate, experiments with isotopically enriched (CO2(g))-C-13 were performed. Based on ATR-FTIR measurements, neither (ZnC2O4)-C-13 nor (ZnCO3)-C-13 were formed which suggests that the carbon source for the oxalate formation is most likely the paint itself (and its oil component) and not the surrounding atmosphere.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000596527000001 Publication Date 2020-12-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7445 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.5 Times cited Open Access  
  Notes Approved (up) Most recent IF: 2.5; 2020 IF: NA  
  Call Number UA @ admin @ c:irua:174381 Serial 7979  
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Author Alvarez-Martin, A.; George, J.; Kaplan, E.; Osmond, L.; Bright, L.; Newsome, G.A.; Kaczkowski, R.; Vanmeert, F.; Kavich, G.; Heald, S. url  doi
openurl 
  Title Identifying VOCs in exhibition cases and efflorescence on museum objects exhibited at Smithsonian’s National Museum of the American Indian-New York Type A1 Journal article
  Year 2020 Publication Heritage science Abbreviated Journal  
  Volume 8 Issue 1 Pages 115  
  Keywords A1 Journal article; Engineering sciences. Technology; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Two mass spectrometry (MS) methods, solid-phase microextraction gas chromatography (SPME–GC–MS) and direct analysis in real time (DART-MS), have been explored to investigate widespread efflorescence observed on exhibited objects at the Smithsonian’s National Museum of the American Indian in New York (NMAI-NY). Both methods show great potential, in terms of speed of analysis and level of information, for identifying the organic component of the efflorescence as 2,2,6,6-tetramethyl-4-piperidinol (TMP-ol) emitted by the structural adhesive (Terostat MS 937) used for exhibit case construction. The utility of DART-MS was proven by detecting the presence of TMP-ol in construction materials in a fraction of the time and effort required for SPME–GC–MS analysis. In parallel, an unobtrusive SPME sampling strategy was used to detect volatile organic compounds (VOCs) accumulated in the exhibition cases. This sampling technique can be performed by collections and conservation staff at the museum and shipped to an off-site laboratory for analysis. This broadens the accessibility of MS techniques to museums without access to instrumentation or in-house analysis capabilities.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000589423700001 Publication Date 2020-11-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7445 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.5 Times cited Open Access  
  Notes Approved (up) Most recent IF: 2.5; 2020 IF: NA  
  Call Number UA @ admin @ c:irua:181925 Serial 8056  
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Author van Loon, A.; Noble, P.; de Man, D.; Alfeld, M.; Callewaert, T.; van der Snickt, G.; Janssens, K.; Dik, J. url  doi
openurl 
  Title The role of smalt in complex pigment mixtures in Rembrandt'sHomer1663: combining MA-XRF imaging, microanalysis, paint reconstructions and OCT Type A1 Journal article
  Year 2020 Publication Heritage science Abbreviated Journal  
  Volume 8 Issue 1 Pages 90-19  
  Keywords A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)  
  Abstract As part of the NWO Science4ArtsREVISRembrandtproject (2012-2018), novel chemical imaging techniques were developed and applied to the study of Rembrandt's late experimental painting technique (1651-1669). One of the unique features in his late paintings is his abundant use of smalt: a blue cobalt glass pigment that he often combined with organic lake pigments, earth pigments and blacks. Since most of these smalt-containing paints have discolored over time, we wanted to find out more about how these paintings may have originally looked, and what the role of smalt was in his paint. This paper reports on the use of smalt in complex pigment mixtures in Rembrandt'sHomer(1663), Mauritshuis, The Hague. Macroscopic X-ray fluorescence imaging (MA-XRF) assisted by computational analysis, in combination with SEM-EDX analysis of paint cross-sections, provides new information about the distribution and composition of the smalt paints in the painting. Paint reconstructions were carried out to investigate the effect of different percentages of smalt on the overall color, the drying properties, translucency and texture of the paint. Results show that the influence of (the originally blue) smalt on the intended color of the paint of theHomeris minimal. However, in mixtures with high percentages of smalt, or when combined with more transparent pigments, it was concluded that the smalt did produce a cooler and darker paint. It was also found that the admixture of opaque pigments reduced the translucent character of the smalt. The drying tests show that the paints with (cobalt-containing) smalt dried five times faster compared to those with glass (without cobalt). Most significantly, the texture of the paint was strongly influenced by adding smalt, creating a more irregular surface topography with clearly pronounced brushstrokes. Optical coherence tomography (OCT) was used as an additional tool to reveal differences in translucency and texture between the different paint reconstructions. In conclusion, this study confirmed earlier assumptions that Rembrandt used substantial amounts of smalt in his late paintings, not for its blue color, but to give volume and texture to his paints, to deepen their colors and to make them dry faster.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000565893700001 Publication Date 2020-09-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7445 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.5 Times cited Open Access  
  Notes Approved (up) Most recent IF: 2.5; 2020 IF: NA  
  Call Number UA @ admin @ c:irua:171995 Serial 8659  
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Author Kummamuru, N.B.; Eimer, D.A.; Idris, Z. url  doi
openurl 
  Title Viscosity measurement and correlation of unloaded and CO₂-loaded aqueous solutions of N-methyldiethanolamine + 2-amino-2-methyl-1-propanol Type A1 Journal article
  Year 2020 Publication Journal Of Chemical And Engineering Data Abbreviated Journal J Chem Eng Data  
  Volume 65 Issue 6 Pages 3072-3078  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract This work contributes to new and complementary experimental viscosity data for blended amine mixtures of aqueous N-methyldiethanolamine + 2-amino-2-methyl-1-propanol (MDEA + AMP) solutions with and without CO2 at different temperatures and mass fractions. For the unloaded MDEA + AMP solutions, measurements were conducted with total amine mass fractions ranging from 0.30 to 0.60. In the case of CO2-loaded aqueous MDEA + AMP solutions, experiments were performed at CO2 loadings ranging from 0.11 to 0.80. Proposed correlations were used to represent viscosity at the unloaded and CO2-loaded solutions within experimental uncertainty.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000541740100016 Publication Date 2020-05-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9568; 1520-5134 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.6 Times cited Open Access  
  Notes Approved (up) Most recent IF: 2.6; 2020 IF: 2.323  
  Call Number UA @ admin @ c:irua:180363 Serial 8737  
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Author Shi, P.; Ratkowsky, D.A.; Gielis, J. url  doi
openurl 
  Title The generalized Gielis geometric equation and its application Type A1 Journal article
  Year 2020 Publication Symmetry-Basel Abbreviated Journal Symmetry-Basel  
  Volume 12 Issue 4 Pages 645-10  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Many natural shapes exhibit surprising symmetry and can be described by the Gielis equation, which has several classical geometric equations (for example, the circle, ellipse and superellipse) as special cases. However, the original Gielis equation cannot reflect some diverse shapes due to limitations of its power-law hypothesis. In the present study, we propose a generalized version by introducing a link function. Thus, the original Gielis equation can be deemed to be a special case of the generalized Gielis equation (GGE) with a power-law link function. The link function can be based on the morphological features of different objects so that the GGE is more flexible in fitting the data of the shape than its original version. The GGE is shown to be valid in depicting the shapes of some starfish and plant leaves.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000540222200156 Publication Date 2020-04-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2073-8994 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.7 Times cited 4 Open Access  
  Notes ; This research was funded by the Jiangsu Government Scholarship for Overseas Studies (grant number: JS-2018-038). ; Approved (up) Most recent IF: 2.7; 2020 IF: 1.457  
  Call Number UA @ admin @ c:irua:168141 Serial 6526  
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Author Huang, W.; Li, Y.; Niklas, K.J.; Gielis, J.; Ding, Y.; Cao, L.; Shi, P. url  doi
openurl 
  Title A superellipse with deformation and its application in describing the cross-sectional shapes of a square bamboo Type A1 Journal article
  Year 2020 Publication Symmetry-Basel Abbreviated Journal Symmetry-Basel  
  Volume 12 Issue 12 Pages 2073  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Many cross-sectional shapes of plants have been found to approximate a superellipse rather than an ellipse. Square bamboos, belonging to the genus Chimonobambusa (Poaceae), are a group of plants with round-edged square-like culm cross sections. The initial application of superellipses to model these culm cross sections has focused on Chimonobambusa quadrangularis (Franceschi) Makino. However, there is a need for large scale empirical data to confirm this hypothesis. In this study, approximately 750 cross sections from 30 culms of C. utilis were scanned to obtain cross-sectional boundary coordinates. A superellipse exhibits a centrosymmetry, but in nature the cross sections of culms usually deviate from a standard circle, ellipse, or superellipse because of the influences of the environment and terrain, resulting in different bending and torsion forces during growth. Thus, more natural cross-sectional shapes appear to have the form of a deformed superellipse. The superellipse equation with a deformation parameter (SEDP) was used to fit boundary data. We find that the cross-sectional shapes (including outer and inner rings) of C. utilis can be well described by SEDP. The adjusted root-mean-square error of SEDP is smaller than that of the superellipse equation without a deformation parameter. A major finding is that the cross-sectional shapes can be divided into two types of superellipse curves: hyperellipses and hypoellipses, even for cross sections from the same culm. There are two proportional relationships between ring area and the product of ring length and width for both the outer and inner rings. The proportionality coefficients are significantly different, as a consequence of the two different superellipse types (i.e., hyperellipses and hypoellipses). The difference in the proportionality coefficients between hyperellipses and hypoellipses for outer rings is greater than that for inner rings. This work informs our understanding and quantifying of the longitudinal deformation of plant stems for future studies to assess the influences of the environment on stem development. This work is also informative for understanding the deviation of natural shapes from a strict rotational symmetry.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000602546300001 Publication Date 2020-12-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2073-8994 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.7 Times cited Open Access  
  Notes Approved (up) Most recent IF: 2.7; 2020 IF: 1.457  
  Call Number UA @ admin @ c:irua:174472 Serial 8622  
Permanent link to this record
 

 
Author Kahraman, Z.; Yagmurcukardes, M.; Sahin, H. pdf  doi
openurl 
  Title Functionalization of single-layer TaS₂ and formation of ultrathin Janus structures Type A1 Journal article
  Year 2020 Publication Journal Of Materials Research Abbreviated Journal J Mater Res  
  Volume 35 Issue 11 Pages 1397-1406  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Ab initio calculations are performed to investigate the structural, vibrational, electronic, and piezoelectric properties of functionalized single layers of TaS2. We find that single-layer TaS2 is a suitable host material for functionalization via fluorination and hydrogenation. The one-side fluorinated (FTaS2) and hydrogenated (HTaS2) single layers display indirect gap semiconducting behavior in contrast to bare metallic TaS2. On the other hand, it is shown that as both surfaces of TaS2 are saturated anti-symmetrically, the formed Janus structure is a dynamically stable metallic single layer. In addition, it is revealed that out-of-plane piezoelectricity is created in all anti-symmetric structures. Furthermore, the Janus-type single-layer has the highest specific heat capacity to which longitudinal and transverse acoustical phonon modes have contribution at low temperatures. Our findings indicate that single-layer TaS2 is suitable for functionalization via H and F atoms that the formed, anti-symmetric structures display distinctive electronic, vibrational, and piezoelectric properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000540764300005 Publication Date 2020-04-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0884-2914 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.7 Times cited 1 Open Access  
  Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. Acknowledges financial support from the TUBITAK under the project number 117F095. H.S. acknowledges support from Turkish Academy of Sciences under the GEBIP program. This work is supported by the Flemish Science Foundation (FWO-Vl) by a post-doctoral fellowship (M.Y.). ; Approved (up) Most recent IF: 2.7; 2020 IF: 1.673  
  Call Number UA @ admin @ c:irua:170185 Serial 6525  
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Author Hillen, M.; Legrand, S.; Dirkx, Y.; Janssens, K.; van der Snickt, G.; Caen, J.; Steenackers, G. url  doi
openurl 
  Title Cluster analysis of IR thermography data for differentiating glass types in historical leaded-glass windows Type A1 Journal article
  Year 2020 Publication Applied Sciences-Basel Abbreviated Journal Appl Sci-Basel  
  Volume 10 Issue 12 Pages 4255-13  
  Keywords A1 Journal article; Engineering sciences. Technology; Antwerp Cultural Heritage Sciences (ARCHES); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Infrared thermography is a fast, non-destructive and contactless testing technique which is increasingly used in heritage science. The aim of this study was to assess the ability of infrared thermography, in combination with a data clustering approach, to differentiate between the different types of historical glass that were included in a colorless leaded-glass windows during previous restoration interventions. Inspection of the thermograms and the application of two data mining techniques on the thermal data, i.e., k-means clustering and hierarchical clustering, allowed identifying different groups of window panes that show a different thermal behavior. Both clustering approaches arrive at similar groupings of the glass with a clear separation of three types. However, the lead cames that hold the glass panes appear to have a substantial impact on the thermal behavior of the surrounding glass, thus preventing classification of the smallest glass panes. For the larger panes, this was not a critical issue as the center of the glass remained unaffected. Subtle visual color differences between panes, implying a variation in coloring metal ions, was not always distinguished by IRT. Nevertheless, data clustering assisted infrared thermography shows potential as an efficient and swift method for documenting the material intervention history of leaded-glass windows during or in preparation of conservation treatments.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000549351800001 Publication Date 2020-06-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2076-3417 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.7 Times cited Open Access  
  Notes Approved (up) Most recent IF: 2.7; 2020 IF: 1.679  
  Call Number UA @ admin @ c:irua:170012 Serial 7674  
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Author Ozcan, M.; Ozen, S.; Yagmurcukardes, M.; Sahin, H. pdf  doi
openurl 
  Title Structural, electronic and vibrational properties of ultra-thin octahedrally coordinated structure of EuO2 Type A1 Journal article
  Year 2020 Publication Journal Of Magnetism And Magnetic Materials Abbreviated Journal J Magn Magn Mater  
  Volume 493 Issue 493 Pages 165668  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Novel stable ultra-thin phases of europium oxide are investigated by means of state-of-the-art first principles calculations. Total energy calculations show that single layers of EuO2 and Eu(OH)(2) can be stabilized in an octahedrally coordinated (1T) atomic structure. However, phonon calculations reveal that although both structures are energetically feasible, only the 1T-EuO2 phase has dynamical stability. The phonon spectrum of 1T-EuO2 displays three Raman active modes; a non-degenerate out-of-plane A(1g) mode at 353.5 cm(-1) and two doubly-degenerate in-plane E-g modes at 304.3 cm(-1). Furthermore, magnetic ground state and electronic band dispersion calculations show that the single layer EuO2 is a metal with net magnetic moment of 5(mu B) per unitcell resulting in a half-metallic ferrimagnetic behavior. Moreover, robustness of the half-metallic ferrimagnetic characteristics of EuO2 is confirmed by the application of electric field and charging. Single layer 1T-EuO2, with its stable ultra-thin structure and half-metallic ferrimagnetic feature, is a promising novel material for nanoscale electronic and spintronic applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000486397800003 Publication Date 2019-08-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-8853 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.7 Times cited 1 Open Access  
  Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). HS acknowledges financial support from the TUBITAK under the project number 117F095. MY is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship. ; Approved (up) Most recent IF: 2.7; 2020 IF: 2.63  
  Call Number UA @ admin @ c:irua:162755 Serial 6323  
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Author Gonzalez-Garcia, A.; Lopez-Perez, W.; Gonzalez-Hernandez, R.; Rivera-Julio, J.; Espejo, C.; Milošević, M.V.; Peeters, F.M. pdf  url
doi  openurl
  Title Two-dimensional hydrogenated buckled gallium arsenide: an ab initio study Type A1 Journal article
  Year 2020 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat  
  Volume 32 Issue 14 Pages 145502  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract First-principles calculations have been carried out to investigate the stability, structural and electronic properties of two-dimensional (2D) hydrogenated GaAs with three possible geometries: chair, zigzag-line and boat configurations. The effect of van der Waals interactions on 2D H-GaAs systems has also been studied. These configurations were found to be energetic and dynamic stable, as well as having a semiconducting character. Although 2D GaAs adsorbed with H tends to form a zigzag-line configuration, the energy differences between chair, zigzag-line and boat are very small which implies the metastability of the system. Chair and boat configurations display a – direct bandgap nature, while pristine 2D-GaAs and zigzag-line are indirect semiconductors. The bandgap sizes of all configurations are also hydrogen dependent, and wider than that of pristine 2D-GaAs with both PBE and HSE functionals. Even though DFT-vdW interactions increase the adsorption energies and reduce the equilibrium distances of H-GaAs systems, it presents, qualitatively, the same physical results on the stability and electronic properties of our studied systems with PBE functional. According to our results, 2D buckled gallium arsenide is a good candidate to be synthesized by hydrogen surface passivation as its group III-V partners 2D buckled gallium nitride and boron nitride. The hydrogenation of 2D-GaAs tunes the bandgap of pristine 2D-GaAs, which makes it a potential candidate for optoelectronic applications in the blue and violet ranges of the visible electromagnetic spectrum.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000507894400001 Publication Date 2019-12-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 2.7 Times cited Open Access  
  Notes ; This work has been carried out by the financial support of Universidad del Norte and Colciencias (Administrative Department of Science, Technology and Research of Colombia) under Convocatoria 712-Convocatoria para proyectos de investigacion en Ciencias Basicas, ano 2015, Cod: 121571250192, Contrato 110-216. The authors gratefully acknowledge the support from the High Performance Computing core facility CalcUA and the TOPBOF project at the University of Antwerp, Belgium; and the computing time granted on the supercomputer Mogon at Johannes Gutenberg University Mainz (hpc.uni-mainz.de). ; Approved (up) Most recent IF: 2.7; 2020 IF: 2.649  
  Call Number UA @ admin @ c:irua:165644 Serial 6330  
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Author Lebedev, N.; Stehno, M.; Rana, A.; Gauquelin, N.; Verbeeck, J.; Brinkman, A.; Aarts, J. url  doi
openurl 
  Title Inhomogeneous superconductivity and quasilinear magnetoresistance at amorphous LaTiO₃/SrTiO₃ interfaces Type A1 Journal article
  Year 2020 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat  
  Volume 33 Issue 5 Pages 055001  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We have studied the transport properties of LaTiO3/SrTiO3 (LTO/STO) heterostructures. In spite of 2D growth observed in reflection high energy electron diffraction, transmission electron microscopy images revealed that the samples tend to amorphize. Still, we observe that the structures are conducting, and some of them exhibit high conductance and/or superconductivity. We established that conductivity arises mainly on the STO side of the interface, and shows all the signs of the two-dimensional electron gas usually observed at interfaces between STO and LTO or LaAlO3, including the presence of two electron bands and tunability with a gate voltage. Analysis of magnetoresistance (MR) and superconductivity indicates the presence of spatial fluctuations of the electronic properties in our samples. That can explain the observed quasilinear out-of-plane MR, as well as various features of the in-plane MR and the observed superconductivity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000588209300001 Publication Date 2020-10-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.7 Times cited 1 Open Access OpenAccess  
  Notes ; NL and JA gratefully acknowledge the financial support of the research program DESCO, which is financed by the Netherlands Organisation for Scientific Research (NWO). The authors thank J Jobst, S Smink, K Lahabi and G Koster for useful discussion. ; Approved (up) Most recent IF: 2.7; 2020 IF: 2.649  
  Call Number UA @ admin @ c:irua:173679 Serial 6545  
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Author Lavor, I.R.; da Costa, D.R.; Chaves, A.; Farias, G.A.; Macedo, R.; Peeters, F.M. pdf  url
doi  openurl
  Title Magnetic field induced vortices in graphene quantum dots Type A1 Journal article
  Year 2020 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat  
  Volume 32 Issue 15 Pages 155501  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The energy spectrum and local current patterns in graphene quantum dots (QD) are investigated for different geometries in the presence of an external perpendicular magnetic field. Our results demonstrate that, for specific geometries and edge configurations, the QD exhibits vortex and anti-vortex patterns in the local current density, in close analogy to the vortex patterns observed in the probability density current of semiconductor QD, as well as in the order parameter of mesoscopic superconductors.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000520149200001 Publication Date 2019-12-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.7 Times cited 5 Open Access  
  Notes ; This work was financially supported by the CAPES foundation and CNPq (Science Without Borders, PQ and FUNCAP/PRONEX programs). ; Approved (up) Most recent IF: 2.7; 2020 IF: 2.649  
  Call Number UA @ admin @ c:irua:167670 Serial 6558  
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Author Bafekry, A.; Akgenc, B.; Ghergherehchi, M.; Peeters, F.M. pdf  url
doi  openurl
  Title Strain and electric field tuning of semi-metallic character WCrCO₂ MXenes with dual narrow band gap Type A1 Journal article
  Year 2020 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat  
  Volume 32 Issue 35 Pages 355504-355508  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Motivated by the recent successful synthesis of double-M carbides, we investigate structural and electronic properties of WCrC and WCrCO2 monolayers and the effects of biaxial and out-of-plane strain and electric field using density functional theory. WCrC and WCrCO2 monolayers are found to be dynamically stable. WCrC is metallic and WCrCO2 display semi-metallic character with narrow band gap, which can be controlled by strain engineering and electric field. WCrCO2 monolayer exhibits a dual band gap which is preserved in the presence of an electric field. The band gap of WCrCO2 monolayer increases under uniaxial strain while it becomes metallic under tensile strain, resulting in an exotic 2D double semi-metallic behavior. Our results demonstrate that WCrCO2 is a new platform for the study of novel physical properties in two-dimensional Dirac materials and which may provide new opportunities to realize high-speed low-dissipation devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000539375800001 Publication Date 2020-04-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.7 Times cited 37 Open Access  
  Notes ; This work was supported by the National Research Foundation of Korea(NRF) Grant funded by the Korea government(MSIT)(NRF-2017R1A2B2011989). In addition, this work was supported by the Flemish Science Foundation (FW0-Vl). ; Approved (up) Most recent IF: 2.7; 2020 IF: 2.649  
  Call Number UA @ admin @ c:irua:169756 Serial 6616  
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Author Silva, F.C.O.; Menezes, R.M.; Cabral, L.R.E.; de Souza Silva, C.C. doi  openurl
  Title Formation and stability of conformal spirals in confined 2D crystals Type A1 Journal article
  Year 2020 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat  
  Volume 32 Issue 50 Pages 505401  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigate the ground-state and dynamical properties of nonuniform two-dimensional (2D) clusters of long-range interacting particles. We demonstrate that, when the confining external potential is designed to produce an approximate 1/ r 2 density profile, the particles crystallize into highly ordered structures featuring spiral crystalline lines. Despite the strong inhomogeneity of the observed configurations, most of them are characterized by small density of topological defects, typical of conformal crystals, and the net topological charge induced by the simply-connected geometry of the system is concentrated near the cluster center. These crystals are shown to be robust with respect to thermal fluctuations up to a certain threshold temperature, above which the net charge is progressively redistributed from the center to the rest of the system and the topological order is lost. The crystals are also resilient to the shear stress produced by a small nonuniform azimuthal force field, rotating as a rigid body (RB). For larger forces, topological defects proliferate and the RB rotation gives place to plastic flow.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2020-08-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record  
  Impact Factor 2.7 Times cited Open Access  
  Notes Approved (up) Most recent IF: 2.7; 2020 IF: 2.649  
  Call Number UA @ admin @ c:irua:191093 Serial 7978  
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Author Vanrompay, H.; Buurlage, J.‐W.; Pelt, D.M.; Kumar, V.; Zhuo, X.; Liz‐Marzán, L.M.; Bals, S.; Batenburg, K.J. pdf  url
doi  openurl
  Title Real‐Time Reconstruction of Arbitrary Slices for Quantitative and In Situ 3D Characterization of Nanoparticles Type A1 Journal article
  Year 2020 Publication Particle & Particle Systems Characterization Abbreviated Journal Part Part Syst Char  
  Volume 37 Issue 37 Pages 2000073  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract A detailed 3D investigation of nanoparticles at a local scale is of great importance to connect their structure and composition to their properties. Electron tomography has therefore become an important tool for the 3D characterization of nanomaterials. 3D investigations typically comprise multiple steps, including acquisition, reconstruction, and analysis/quantification. Usually, the latter two steps are performed offline, at a dedicated workstation. This sequential workflow prevents on-the-fly control of experimental parameters to improve the quality of the 3D reconstruction, to select a relevant nanoparticle for further characterization or to steer an in-situ tomography experiment. Here, we present an efficient approach to overcome these limitations, based on the real-time reconstruction of arbitrary 2D reconstructed slices through a 3D object. Implementation of this method may lead to generalized implementation of electron tomography for routine nanoparticle characterization in 3D.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000536357100001 Publication Date 2020-05-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0934-0866 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.7 Times cited 10 Open Access OpenAccess  
  Notes Fonds Wetenschappelijk Onderzoek, 1S32617N ; Fonds Wetenschappelijk Onderzoek, G026718N ; Nederlandse Organisatie voor Wetenschappelijk Onderzoek, 639.073.506 016.Veni.192.235 ; H.V. acknowledges financial support by the Research Foundation Flanders (FWO grant 1S32617N). S.B acknowledges financial support by the Research Foundation Flanders (FWO grant G026718N). Financial support was provided by The Netherlands Organization for Scientific Research (NWO), project numbers 639.073.506 and 016.Veni.192.235. This project received funding as well from the European Union’s Horizon 2020 research and innovation program under grant agreement No 731019 (EUSMI) and No 815128 (REALNANO). H.V. and J.-W.B contributed equally to this work.; sygma Approved (up) Most recent IF: 2.7; 2020 IF: 4.474  
  Call Number EMAT @ emat @c:irua:169704 Serial 6371  
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Author Nord, M.; Webster, R.W.H.; Paton, K.A.; McVitie, S.; McGrouther, D.; MacLaren, I.; Paterson, G.W. url  doi
openurl 
  Title Fast pixelated detectors in scanning transmission electron microscopy. Part I: data acquisition, live processing, and storage Type A1 Journal article
  Year 2020 Publication Microscopy And Microanalysis Abbreviated Journal Microsc Microanal  
  Volume 26 Issue 4 Pages Pii S1431927620001713-666  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The use of fast pixelated detectors and direct electron detection technology is revolutionizing many aspects of scanning transmission electron microscopy (STEM). The widespread adoption of these new technologies is impeded by the technical challenges associated with them. These include issues related to hardware control, and the acquisition, real-time processing and visualization, and storage of data from such detectors. We discuss these problems and present software solutions for them, with a view to making the benefits of new detectors in the context of STEM more accessible. Throughout, we provide examples of the application of the technologies presented, using data from a Medipix3 direct electron detector. Most of our software are available under an open source licence, permitting transparency of the implemented algorithms, and allowing the community to freely use and further improve upon them.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000555537900004 Publication Date 2020-07-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1431-9276 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.8 Times cited 4 Open Access OpenAccess  
  Notes ; The performance of this work was mainly supported by the Engineering and Physical Sciences Research Council (EPSRC) of the UK via the project “Fast Pixel Detectors: a paradigm shift in STEM imaging” (grant no. EP/M009963/1). G.W.P. received additional support from the EPSRC under grant no. EP/M024423/1. M.N. received additional support for this work from the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement no. 838001. The studentship of R.W.H.W. was supported by the EPSRC Doctoral Training Partnership grant no. EP/N509668/1. S.McV. was supported by EPSRC grant no. EP/M024423/1. I.M. was supported by EPSRC grant no. EP/M009963/1. The studentship of K.A.P. was funded entirely by the UK Science and Technology Facilities Council (STFC) Industrial CASE studentship “Next2 TEM Detection” (no. ST/P002471/1) with Quantum Detectors Ltd. as the industrial partner. D.McG. was also supported by EPSRC grant no. EP/M009963/1. As an inventor of intellectual property related to the MERLIN detector hardware, he is a beneficiary of the license agreement between the University of Glasgow and Quantum Detectors Ltd. The development of the integration of TopSpin with the Merlin readout of the Medipix3 camera has been performed with the aid of financial assistance from the EPSRC under grant no. EP/R511705/1 and through direct collaboration between NanoMEGAS and Quantum Detectors Ltd. ; Approved (up) Most recent IF: 2.8; 2020 IF: 1.891  
  Call Number UA @ admin @ c:irua:171185 Serial 6518  
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Author Paterson, G.W.; Webster, R.W.H.; Ross, A.; Paton, K.A.; Macgregor, T.A.; McGrouther, D.; MacLaren, I.; Nord, M. url  doi
openurl 
  Title Fast pixelated detectors in scanning transmission electron microscopy. part II : post-acquisition data processing, visualization, and structural characterization Type A1 Journal article
  Year 2020 Publication Microscopy And Microanalysis Abbreviated Journal Microsc Microanal  
  Volume 26 Issue 5 Pages 944-963  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Fast pixelated detectors incorporating direct electron detection (DED) technology are increasingly being regarded as universal detectors for scanning transmission electron microscopy (STEM), capable of imaging under multiple modes of operation. However, several issues remain around the post-acquisition processing and visualization of the often very large multidimensional STEM datasets produced by them. We discuss these issues and present open source software libraries to enable efficient processing and visualization of such datasets. Throughout, we provide examples of the analysis methodologies presented, utilizing data from a 256 x 256 pixel Medipix3 hybrid DED detector, with a particular focus on the STEM characterization of the structural properties of materials. These include the techniques of virtual detector imaging; higher-order Laue zone analysis; nanobeam electron diffraction; and scanning precession electron diffraction. In the latter, we demonstrate a nanoscale lattice parameter mapping with a fractional precision <= 6 x 10(-4) (0.06%).  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000576859800011 Publication Date 2020-09-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1431-9276 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.8 Times cited 3 Open Access OpenAccess  
  Notes ; G.W.P. and M.N. were the principal authors of the fpd and pixStem libraries reported herein (details of all contributions are documented in the repositories) and have made all of these available under open source licence GPLv3 for the benefit of the community. R.W.H.W., A.R., and K.A.P. have also made contributions to the source codes in these libraries. G.W.P and M.N. have led the data acquisition and analysis, and the drafting of this manuscript. The performance of this work was mainly supported by Engineering and Physical Sciences Research Council (EPSRC) of the UK via the project “Fast Pixel Detectors: a paradigm shift in STEM imaging” (Grant No. EP/M009963/1). G.W.P. received additional support from the EPSRC under Grant No. EP/M024423/1. M.N. received additional support for this work from the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement No. 838001. R.W.H.W., A.R., K.A.P., T.A.M., D.McG., and I.M. have all contributed either through acquisition and analysis of data or through participation in the revision of the manuscript. The studentships of R.W.H.W. and T.A.M. were supported by the EPSRC Doctoral Training Partnership Grant No. EP/N509668/1. I.M. and D.McG. were supported by EPSRC Grant No. EP/M009963/1. The studentship of K.A.P. was funded entirely by the UK Science and Technology Facilities Council (STFC) Industrial CASE studentship “Next2 TEM Detection” (No. ST/ P002471/1) with Quantum Detectors Ltd. as the industrial partner. As an inventor of intellectual property related to the MERLIN detector hardware, D.McG. is a beneficiary of the license agreement between the University of Glasgow and Quantum Detectors Ltd. We thank Diamond Quantum Detectors Ltd. for Medipix3 detector support; Dr. Bruno Humbel from Okinawa Institute of Science and Technology; and Dr. Caroline Kizilyaprak from the University of Lausanne for providing the liver sample; Dr. Ingrid Hallsteinsen and Prof. Thomas Tybell from the Norwegian University of Science and Technology (NTNU) for providing the La0.7Sr0.3MnO3/LaFeO3/SrTiO3 sample shown in Figure 4; and NanoMEGAS for the loan of the DigiSTAR precession system and TopSpin acquisition software. The development of the integration of TopSpin with the Merlin readout of the Medipix3 camera has been performed with the aid of financial assistance from the EPSRC under Grant No. EP/R511705/1 and through direct collaboration between NanoMEGAS and Quantum Detectors Ltd. ; Approved (up) Most recent IF: 2.8; 2020 IF: 1.891  
  Call Number UA @ admin @ c:irua:172695 Serial 6519  
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Author Wang, J.; Nguyen, M.D.; Gauquelin, N.; Verbeeck, J.; Do, M.T.; Koster, G.; Rijnders, G.; Houwman, E. url  doi
openurl 
  Title On the importance of the work function and electron carrier density of oxide electrodes for the functional properties of ferroelectric capacitors Type A1 Journal article
  Year 2020 Publication Physica Status Solidi-Rapid Research Letters Abbreviated Journal Phys Status Solidi-R  
  Volume 14 Issue 14 Pages 1900520  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract It is important to understand the effect of the interfaces between the oxide electrode layers and the ferroelectric layer on the polarization response for optimizing the device performance of all-oxide ferroelectric devices. Herein, the effects of the oxide La0.07Ba0.93SnO3 (LBSO) as an electrode material in an PbZr0.52Ti0.48O3 (PZT) ferroelectric capacitor are compared with those of the more commonly used SrRuO3 (SRO) electrode. SRO (top)/PZT/SRO (bottom), SRO/PZT/LBSO, and SRO/PZT/2 nm SRO/LBSO devices are fabricated. Only marginal differences in crystalline properties, determined by X-ray diffraction and scanning transmission electron microscopy, are found. High-quality polarization loops are obtained, but with a much larger coercive field for the SRO/PZT/LBSO device. In contrast to the SRO/PZT/SRO device, the polarization decreases strongly with increasing field cycling. This fatigue problem can be remedied by inserting a 2 nm SRO layer between PZT and LBSO. It is argued that strongly increased charge injection into the PZT occurs at the bottom interface, because of the low PZT/LBSO interfacial barrier and the much lower carrier density in LBSO, as compared with that in SRO, causing a low dielectric constant, depleted layer in LBSO. The charge injection creates a trapped space charge in the PZT, causing the difference in fatigue behavior.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000506195600001 Publication Date 2019-12-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1862-6254 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.8 Times cited 6 Open Access OpenAccess  
  Notes ; This work was supported by Nederlandse Organisatie voor Wetenschappelijk Onderzoek through grant no.13HTSM01. ; Approved (up) Most recent IF: 2.8; 2020 IF: 3.032  
  Call Number UA @ admin @ c:irua:165681 Serial 6316  
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Author Clima, S.; Garbin, D.; Opsomer, K.; Avasarala, N.S.; Devulder, W.; Shlyakhov, I.; Keukelier, J.; Donadio, G.L.; Witters, T.; Kundu, S.; Govoreanu, B.; Goux, L.; Detavernier, C.; Afanas'ev, V.; Kar, G.S.; Pourtois, G. pdf  doi
openurl 
  Title Ovonic threshold-switching GexSey chalcogenide materials : stoichiometry, trap nature, and material relaxation from first principles Type A1 Journal article
  Year 2020 Publication Physica Status Solidi-Rapid Research Letters Abbreviated Journal Phys Status Solidi-R  
  Volume Issue Pages 1900672  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Density functional theory simulations are used to identify the structural factors that define the material properties of ovonic threshold switches (OTS). They show that the nature of mobility-gap trap states in amorphous Ge-rich Ge50Se50 is related to Ge-Ge bonds, whereas in Se-rich Ge30Se70 the Ge valence-alternating-pairs and Se lone-pairs dominate. To obtain a faithful description of the electronic structure and delocalization of states, it is required to combine hybrid exchange-correlation functionals with large unit-cell models. The extent of localization of electronic states depends on the applied external electric field. Hence, OTS materials undergo structural changes during electrical cycling of the device, with a decrease in the population of less exothermic Ge-Ge bonds in favor of more exothermic Ge-Se. This reduces the amount of charge traps, which translates into coordination changes, an increase in mobility-gap, and subsequently changes in the selector-device electrical parameters. The threshold voltage drift process can be explained by natural evolution of the nonpreferred Ge-Ge bonds (or “chains”/clusters thereof) in Ge-rich GexSe1-x. The effect of extrinsic doping is shown for Si and N, which introduce strong covalent bonds into the system, increase both mobility-gap and crystallization temperature, and decrease the leakage current.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000512431100001 Publication Date 2020-01-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1862-6254 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.8 Times cited 3 Open Access  
  Notes ; This work was carried out in the framework of the imec Core CMOS-Emerging Memory Program. Financial support from EU H2020-NMBPTO-IND-2018 project “INTERSECT” (Grant No. 814487) is acknowledged. ; Approved (up) Most recent IF: 2.8; 2020 IF: 3.032  
  Call Number UA @ admin @ c:irua:166492 Serial 6575  
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Author Pacquets, L.; Irtem, E.; Neukermans, S.; Daems, N.; Bals, S.; Breugelmans, T. pdf  url
doi  openurl
  Title Size-controlled electrodeposition of Cu nanoparticles on gas diffusion electrodes in methanesulfonic acid solution Type A1 Journal article
  Year 2020 Publication Journal Of Applied Electrochemistry Abbreviated Journal J Appl Electrochem  
  Volume 51 Issue 2 Pages  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)  
  Abstract In this paper electrodeposition is used to obtain Cu nanoparticles, as it allows good control over particle size and distribution. These Cu particles were deposited onto a gas diffusion electrode which increased the resulting surface area. Prior to deposition, the surface was pre-treated with NaOH, HNO3, MQ and TX100 to investigate the influence on the electrodeposition of Cu on the gas diffusion electrode (GDE). When using HNO3, the smallest particles with the most homogeneous distribution and high particle roughness were obtained. Once the optimal substrate was determined, we further demonstrated that by altering the electrodeposition parameters, the particle size and density could be tuned. On the one hand, increasing the nucleation potential led to a higher particle density resulting in smaller particles because of an increased competition between particles. Finally, the Cu particle size increased when applying a greater growth charge and growth potential. This fundamental study thus opens up a path towards the synthesis of supported Cu materials with increased surface areas, which is interesting from a catalytic point of view. Larger surface areas are generally correlated with a better catalyst performance and thus higher product yields. This research can contributed in obtaining new insides into the deposition of metallic nanoparticles on rough surfaces. [GRAPHICS] .  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000568651000001 Publication Date 2020-09-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-891x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.9 Times cited 3 Open Access OpenAccess  
  Notes ; L. Pacquets was supported through a PhD fellowship strategic basic research (1S56918N) of the Research Foundation-Flanders (FWO). N. Daems was supported through a postdoctoral fellowship (12Y3919N-ND) of the Research Foundation-Flanders (FWO). S. Neukermans was supported through an FWO project grant (G093317N). This research was financed by the research counsel of the university of Antwerp (BOF-GOA 33928). The authors recognize the contribution of Thomas Kenis for analytical validation and methodology. ; Approved (up) Most recent IF: 2.9; 2020 IF: 2.235  
  Call Number UA @ admin @ c:irua:171588 Serial 6603  
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Author Bafekry, A.; Stampfl, C.; Shayesteh, S.F. pdf  url
doi  openurl
  Title A first-principles study of C3N nanostructures : control and engineering of the electronic and magnetic properties of nanosheets, tubes and ribbons Type A1 Journal article
  Year 2020 Publication Chemphyschem Abbreviated Journal Chemphyschem  
  Volume 21 Issue 2 Pages 164-174  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using first-principles calculations we systematically investigate the atomic, electronic and magnetic properties of novel two-dimensional materials (2DM) with a stoichiometry C3N which has recently been synthesized. We investigate how the number of layers affect the electronic properties by considering monolayer, bilayer and trilayer structures, with different stacking of the layers. We find that a transition from semiconducting to metallic character occurs which could offer potential applications in future nanoelectronic devices. We also study the affect of width of C3N nanoribbons, as well as the radius and length of C3N nanotubes, on the atomic, electronic and magnetic properties. Our results show that these properties can be modified depending on these dimensions, and depend markedly on the nature of the edge states. Functionalization of the nanostructures by the adsorption of H adatoms is found induce metallic, half-metallic, semiconducting and ferromagnetic behavior, which offers an approach to tailor the properties, as can the application of strain. Our calculations give insight into this new family of C3N nanostructures, which reveal unusual electronic and magnetic properties, and may have great potential in applications such as sensors, electronics and optoelectronic at the nanoscale.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000503453100001 Publication Date 2019-11-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1439-4235 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.9 Times cited 27 Open Access  
  Notes ; ; Approved (up) Most recent IF: 2.9; 2020 IF: 3.075  
  Call Number UA @ admin @ c:irua:165045 Serial 6282  
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Author Yu, W.-B.; Hu, Z.-Y.; Jin, J.; Yi, M.; Yan, M.; Li, Y.; Wang, H.-E.; Gao, H.-X.; Mai, L.-Q.; Hasan, T.; Xu, B.-X.; Peng, D.-L.; Van Tendeloo, G.; Su, B.-L. url  doi
openurl 
  Title Unprecedented and highly stable lithium storage capacity of (001) faceted nanosheet-constructed hierarchically porous TiO₂/rGO hybrid architecture for high-performance Li-ion batteries Type A1 Journal article
  Year 2020 Publication National Science Review Abbreviated Journal Natl Sci Rev  
  Volume 7 Issue 6 Pages 1046-1058  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Active crystal facets can generate special properties for various applications. Herein, we report a (001) faceted nanosheet-constructed hierarchically porous TiO2/rGO hybrid architecture with unprecedented and highly stable lithium storage performance. Density functional theory calculations show that the (001) faceted TiO2 nanosheets enable enhanced reaction kinetics by reinforcing their contact with the electrolyte and shortening the path length of Li+ diffusion and insertion-extraction. The reduced graphene oxide (rGO) nanosheets in this TiO2/rGO hybrid largely improve charge transport, while the porous hierarchy at different length scales favors continuous electrolyte permeation and accommodates volume change. This hierarchically porous TiO2/rGO hybrid anode material demonstrates an excellent reversible capacity of 250 mAh g(-1) at 1 C (1 C = 335 mA g(-1)) at a voltage window of 1.0-3.0 V. Even after 1000 cycles at 5 C and 500 cycles at 10 C, the anode retains exceptional and stable capacities of 176 and 160 mAh g(-1), respectively. Moreover, the formed Li2Ti2O4 nanodots facilitate reversed Li+ insertion-extraction during the cycling process. The above results indicate the best performance of TiO2-based materials as anodes for lithium-ion batteries reported in the literature.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000544175300013 Publication Date 2020-02-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2095-5138 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 20.6 Times cited 3 Open Access OpenAccess  
  Notes ; This work was supported by the National Key R&D Program of China (2016YFA0202602 and 2016YFA0202603), the National Natural Science Foundation of China (U1663225) and Program for Changjiang Scholars and Innovative Research Team in University (IRT_15R52). ; Approved (up) Most recent IF: 20.6; 2020 IF: 8.843  
  Call Number UA @ admin @ c:irua:170776 Serial 6648  
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Author Peeters, H.; Keulemans, M.; Nuyts, G.; Vanmeert, F.; Li, C.; Minjauw, M.; Detavernier, C.; Bals, S.; Lenaerts, S.; Verbruggen, S.W. url  doi
openurl 
  Title Plasmonic gold-embedded TiO2 thin films as photocatalytic self-cleaning coatings Type A1 Journal article
  Year 2020 Publication Applied Catalysis B-Environmental Abbreviated Journal Appl Catal B-Environ  
  Volume 267 Issue 267 Pages 118654  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Transparent photocatalytic TiO2 thin films hold great potential in the development of self-cleaning glass sur-

faces, but suffer from a poor visible light response that hinders the application under actual sunlight. To alleviate this problem, the photocatalytic film can be modified with plasmonic nanoparticles that interact very effectively with visible light. Since the plasmonic effect is strongly concentrated in the near surroundings of the nano- particle surface, an approach is presented to embed the plasmonic nanostructures in the TiO2 matrix itself, rather than deposit them loosely on the surface. This way the interaction interface is maximised and the plasmonic effect can be fully exploited. In this study, pre-fabricated gold nanoparticles are made compatible with the organic medium of a TiO2 sol-gel coating suspension, resulting in a one-pot coating suspension. After spin coating, homogeneous, smooth, highly transparent and photoactive gold-embedded anatase thin films are ob- tained.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000518865300002 Publication Date 2020-01-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0926-3373 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 22.1 Times cited 57 Open Access OpenAccess  
  Notes H.P. is grateful to the Research Foundation Flanders (FWO) for an aspirant PhD scholarship. Approved (up) Most recent IF: 22.1; 2020 IF: 9.446  
  Call Number EMAT @ emat @c:irua:165616 Serial 5446  
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Author Mahadi, A.H.; Ye, L.; Fairclough, S.M.; Qu, J.; Wu, S.; Chen, W.; Papaioannou, E.; Ray, B.; Pennycook, T.J.; Haigh, S.J.; Young, N.P.; Tedsree, K.; Metcalfe, I.S.; Tsang, S.C.E. doi  openurl
  Title Beyond surface redox and oxygen mobility at pd-polar ceria (100) interface : underlying principle for strong metal-support interactions in green catalysis Type A1 Journal article
  Year 2020 Publication Applied Catalysis B-Environmental Abbreviated Journal Appl Catal B-Environ  
  Volume 270 Issue Pages 118843  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract When ceria is used as a support for many redox catalysis involved in green catalysis, it is well-known that the overlying noble metal can gain access to a significant quantity of oxygen atoms with high mobility and fast reduction and oxidation properties under mild conditions. However, it is as yet unclear what the underlying principle and the nature of the ceria surface involved are. By using two tailored morphologies of ceria nanocrystals, namely cubes and rods, it is demonstrated from Scanning Transmission Electron Microscopy with Electron Energy Loss Spectroscopy (STEM-EELS) mapping and Pulse Isotopic Exchange (PIE) that ceria nano-cubes terminated with a polar surface (100) can give access to more than the top most layer of surface oxygen atoms. Also, they give higher oxygen mobility than ceria nanorods with a non-polar facet of (110). A new insight for the possible additional role of polar ceria surface plays in the oxygen mobility is obtained from Density Functional Theory (DFT) calculations which suggest that the (100) surface sites that has more than half-filled O on same plane can drive oxygen atoms to oxidise adsorbate(s) on Pd due to the strong electrostatic repulsion.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000526110500007 Publication Date 2020-03-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0926-3373 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 22.1 Times cited Open Access  
  Notes Approved (up) Most recent IF: 22.1; 2020 IF: 9.446  
  Call Number UA @ admin @ c:irua:183959 Serial 6856  
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Author Chen, B.; Gauquelin, N.; Jannis, D.; Cunha, D.M.; Halisdemir, U.; Piamonteze, C.; Lee, J.H.; Belhadi, J.; Eltes, F.; Abel, S.; Jovanovic, Z.; Spreitzer, M.; Fompeyrine, J.; Verbeeck, J.; Bibes, M.; Huijben, M.; Rijnders, G.; Koster, G. url  doi
openurl 
  Title Strain-engineered metal-to-insulator transition and orbital polarization in nickelate superlattices integrated on silicon Type A1 Journal article
  Year 2020 Publication Advanced Materials Abbreviated Journal Adv Mater  
  Volume Issue Pages 2004995  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Epitaxial growth of SrTiO3 (STO) on silicon greatly accelerates the monolithic integration of multifunctional oxides into the mainstream semiconductor electronics. However, oxide superlattices (SLs), the birthplace of many exciting discoveries, remain largely unexplored on silicon. In this work, LaNiO3/LaFeO3 SLs are synthesized on STO-buffered silicon (Si/STO) and STO single-crystal substrates, and their electronic properties are compared using dc transport and X-ray absorption spectroscopy. Both sets of SLs show a similar thickness-driven metal-to-insulator transition, albeit with resistivity and transition temperature modified by the different amounts of strain. In particular, the large tensile strain promotes a pronounced Ni 3dx2-y2 orbital polarization for the SL grown on Si/STO, comparable to that reported for LaNiO3 SL epitaxially strained to DyScO3 substrate. Those results illustrate the ability to integrate oxide SLs on silicon with structure and property approaching their counterparts grown on STO single crystal, and also open up new prospects of strain engineering in functional oxides based on the Si platform.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000588146500001 Publication Date 2020-11-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0935-9648 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 29.4 Times cited 18 Open Access OpenAccess  
  Notes ; This work is supported by the international M-ERA.NET project SIOX (project 4288) and H2020 project ULPEC (project 732642). M.S. acknowledges funding from Slovenian Research Agency (Grants No. J2-9237 and No. P2-0091). This work received support from the ERC CoG MINT (#615759) and from a PHC Van Gogh grant. M.B. thanks the French Academy of Science and the Royal Netherlands Academy of Arts and Sciences for supporting his stays in the Netherlands. This project has received funding as a transnational access project from the European Union's Horizon 2020 research and innovation programme under grant agreement No 823717 – ESTEEM3. N.G. and J.V. acknowledge GOA project “Solarpaint” of the University of Antwerp. ; esteem3TA; esteem3reported Approved (up) Most recent IF: 29.4; 2020 IF: 19.791  
  Call Number UA @ admin @ c:irua:173516 Serial 6617  
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Author Peeters, M.; Compernolle, T.; Van Passel, S. pdf  url
doi  openurl
  Title Influence of information provided at the moment of a fire alarm on the choice of exit Type A1 Journal article
  Year 2020 Publication Fire Safety Journal Abbreviated Journal Fire Safety J  
  Volume 117 Issue Pages 103221-103228  
  Keywords A1 Journal article; Economics; Engineering Management (ENM); Center for Oncological Research (CORE)  
  Abstract The data generated in buildings are used for all types of purposes. The quality of information used in assisting people to escape an emergency situation is of importance. In practice today, none of the data-generating systems that aid in the escape from emergency situations is validated on a regular basis. This study is based on the smart building concept. The rationale behind this concept is to provide information about a building and the usage of that building at each moment in time. An experiment was conducted to measure the impact of different types of information on participants' choice of exit, exit time and distance travelled. Seven identical floors of one building were used with different setups to see if the choice of exit is influenced by the type of information provided at the moment of an alarm. It was found that the information does have a significant impact on the choice of exit, escape speed and distance travelled. Furthermore, it was shown that false information can increase the time it takes to leave the building and the distance travelled, impacting the survival rate. The more imperative information is visualised, the stronger its influence is on the choices made.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000579650800011 Publication Date 2020-09-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0379-7112 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.1 Times cited Open Access  
  Notes Approved (up) Most recent IF: 3.1; 2020 IF: 1.165  
  Call Number UA @ admin @ c:irua:175125 Serial 6929  
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Author Odin, G.P.; Belhadj, O.; Vanmeert, F.; Janssens, K.; Wattiaux, A.; Francois, A.; Rouchon, V. pdf  doi
openurl 
  Title Study of the influence of water and oxygen on the morphology and chemistry of pyritized lignite: Implications for the development of a preventive drying protocol Type A1 Journal article
  Year 2020 Publication Journal Of Cultural Heritage Abbreviated Journal J Cult Herit  
  Volume 42 Issue Pages 117-130  
  Keywords A1 Journal article; Art; History; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Lignite constitutes a unique testimony of past diversity and evolution of land plants. This material, usually waterlogged, is particularly difficult to dry because of its mechanical sensitivity to moisture changes. In addition, lignite may contain organic and inorganic sulfides, which are susceptible to oxidation once excavated. As a result, the conservation of lignite is particularly complicated and lignite remains scarce in paleobotanical collections. We experimentally test different drying protocols on waterlogged pyritized lignite, while documenting the respective role of water and oxygen on their morphology and chemistry. The results reveal that inorganic sulfides (pyrite) are more prone to oxidation than organic sulfides (thioethers). Critically, water is the main factor responsible for this oxidation, provoking sulfate efflorescence when samples are further exposed to oxygen. On the other hand, an abrupt removal of water provokes significant mechanical damage while sulfur remains mostly present as reduced compounds. The control of water and oxygen exchanges is thus critical for conserving lignite without physical damage and efflorescence. We successfully achieved this by storing the samples in hermetically sealed plastic bags made of semi-permeable films, which slowly release humidity while allowing a gradual influx of oxygen. We advise curators to quickly handle lignite once removed from its waterlogged environment because of the fast kinetics of oxidation, and to choose a drying protocol according to the purpose of the lignite treated. Finally, once dried, we advise to store the lignite in an anhydrous environment. (C) 2019 Elsevier Masson SAS. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000525864000013 Publication Date 2019-09-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1296-2074 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.1 Times cited Open Access  
  Notes ; This research was funded by a doctoral school grant from the Museum National d'Histoire Naturelle (Paris, France) and a post-doctoral grant from SU (Paris, France; Convergence program, ACOPAL project). We thank SOLEIL for provision of synchrotron radiation facilities (proposals 20130462and 0110189). We are grateful to Ronan Allain, Renaud Vacant and Dario de Franceschi for access to excavation sites and fruitful discussions, to the LUCIA beamline staff (D.Vantelon, N.Trcera, P.Lagarde, A.-M.Flank) and the AGLAE team (Quentin Lemasson, Brice Moignard, Claire Pacheco and Laurent Pichon) for support during allocated beamtime. We acknowledge the ICMCB (Bordeaux, France) and the ISA (Villeurbanne, France) for elemental quantifications. Finally, we thank two anonymous reviewers who helped to improve a previous version of the manuscript. ; Approved (up) Most recent IF: 3.1; 2020 IF: 1.838  
  Call Number UA @ admin @ c:irua:168651 Serial 6619  
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Author Alvarez-Martin, A.; McHugh, K.; Martin, C.; Kavich, G.; Kaczkowski, R. pdf  doi
openurl 
  Title Understanding air-tight case environments at the National Museum of the American Indian (Smithsonian Institution) by SPME-GC-MS analysis Type A1 Journal article
  Year 2020 Publication Journal Of Cultural Heritage Abbreviated Journal J Cult Herit  
  Volume 44 Issue Pages 38-46  
  Keywords A1 Journal article; Art; History; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Some volatile organic compounds (VOCs), generated and accumulated in exhibition cases, are capable of inducing degradation in historical artifacts. In this context, it is of special importance to distinguish between VOCs emitted by the construction materials and/or the historical objects, with the ultimate goal of proposing an appropriate mitigation strategy. To pursue this goal, a comprehensive analysis based on solid phase microextraction (SPME) coupled to gas chromatography-mass spectrometry (GC-MS) has been optimized. The sampling setup used in this study does not require any modification of the exhibition design, and the testing remained nearly invisible and unobtrusive to museum visitors. This methodology has been applied to an issue encountered at the National Museum of the American Indian (Smithsonian Institution), where an unpleasant smell was detected in airtight exhibition cases already on display containing sensitive historical objects. The analysis of the volatiles emitted by construction materials allowed for identification of characteristic markers emitted by each material, and the ability to identify their overall contribution in the exhibition case. Via this method, SPME-GC-MS confirmed via the detection of some specific markers that the unpleasant smell was released by one of the construction materials and had accumulated in the exhibition case. In addition, due to the measurements taken in different positions around the exhibition cases, results were useful to point out the range of efficiency of the sorbent material placed in some of the exhibition cases as a first attempt of mitigation technique. (C) 2020 Elsevier Masson SAS. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000560473700004 Publication Date 2020-02-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1296-2074 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.1 Times cited Open Access  
  Notes Approved (up) Most recent IF: 3.1; 2020 IF: 1.838  
  Call Number UA @ admin @ c:irua:181927 Serial 8706  
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Author Caglak, E.; Govers, K.; Lamoen, D.; Labeau, P.-E.; Verwerft, M. pdf  url
doi  openurl
  Title Atomic scale analysis of defect clustering and predictions of their concentrations in UO2+x Type A1 Journal article
  Year 2020 Publication Journal Of Nuclear Materials Abbreviated Journal J Nucl Mater  
  Volume 541 Issue Pages 152403  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The physical properties of uranium dioxide vary greatly with stoichiometry. Oxidation towards hyperstoichiometric UO2 – UO2+x – might be encountered at various stages of the nuclear fuel cycle if oxidative conditions are met; the impact of stoichiometry changes upon physical properties should therefore be properly assessed to ensure safe and reliable operations. These physical properties are intimately linked to the arrangement of atomic defects in the crystalline structure. The evolution of the defect concentration with environmental parameters – oxygen partial pressure and temperature – were evaluated by means of a point defect model where the reaction energies are derived from atomic-scale simulations. To this end, various configurations and net charge states of oxygen interstitial clusters in UO2 have been calculated. Various methodologies have been tested to determine the optimum cluster configurations and a rigid lattice approach turned out to be the most useful strategy to optimize defect configuration structures. Ultimately, results from the point defect model were discussed and compared to experimental measurements of stoichiometry dependence on oxygen partial pressure and temperature.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000575165800006 Publication Date 2020-08-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3115 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.1 Times cited Open Access OpenAccess  
  Notes This work is dedicated to the memory of Prof. Alain Dubus, ULB, Bruxelles, Belgium. Financial support from the SCK CEN is gratefully acknowledged. Approved (up) Most recent IF: 3.1; 2020 IF: 2.048  
  Call Number EMAT @ emat @c:irua:172464 Serial 6402  
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