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Author Delaney, J.K.; Conover, D.M.; Dooley, K.A.; Glinsman, L.; Janssens, K.; Loew, M.
  Title Integrated X-ray fluorescence and diffuse visible-to-near-infrared reflectance scanner for standoff elemental and molecular spectroscopic imaging of paints and works on paper Type A1 Journal article
  Year 2018 Publication Heritage science Abbreviated Journal
  Volume 6 Issue 6 Pages 31
  Keywords A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract Prior studies have shown the improved ability to identify artists' pigments by combining results from X-ray fluorescence (XRF), which provides elemental information, with reflectance spectroscopy in the visible to near infrared (400-1000 nm) that provides information on electronic transitions. Extending the spectral range of reflectance spectroscopy into the UV, 350-400 nm, allows identification of several white pigments since their electronic transitions occur in this region (e.g., zinc white and rutile and anatase forms of titanium white). Extending the range further into the infrared, out to 2500 nm, provides information on vibrational transitions of various functional groups, such as hydroxyl, carbonate, and methyl groups. This allows better identification of mineral-based pigments and some paint binders. The combination of elemental information with electronic and vibrational transitions provides a more robust method to identify artists' materials in situ. The collection of both sets of spectral information across works of art, such as paintings and works on paper, allows generating a more complete map of artists' materials. Here, we describe a 2-D scanner that simultaneously collects XRF spectra and reflectance spectra from 350 to 2500 nm across the surfaces of works of art. The scanner consists of a stationary, single pixel XRF spectrometer and fiber optic reflectance spectrometer along with a 2-D position-controlled easel that moves the artwork in front of the two detection systems. The dual-mode scanner has been tested on a variety of works of art from illuminated manuscripts (0.1 x 0.1 m(2)) to paintings as large as 1.7 x 1.9 m(2). The scanner is described and two sets of results are presented. The first is the XRF scanning of a large warped panel painting by Andrea del Sarto titled Charity. The second is a combined XRF and reflectance scan of Georges Seurat's painting titled Haymakers at Montfermeil. The XRF was collected at 1 mm spatial sampling and the reflectance spectral data at 3 mm. Combining the results from the data sets was found to enhance the identification of pigments as well as yield distribution maps, in spite of the relatively low reflectance spatial sampling. The elemental and reflectance maps allowed the identification and mapping of lead white, cobalt blue, viridian, ochres, and likely chrome yellow. The maps also provide information on the mixing of pigments. While the reflectance image cube has 10-20x larger spatial samples than desired, the elimination of having to use two hyperspectral cameras to cover the range from 400 to 2500 nm makes for a low cost dual modality scanner.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000433601900001 Publication Date (down) 2018-05-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2050-7445 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 7 Open Access
  Notes ; The authors acknowledge funding from the National Science Foundation (Award 1041827). J.K.D. and D.M.C. acknowledge funding from the Andrew W. Mellon and Samuel H. Kress Foundations. The authors are grateful to David Martin and Dennis Murphy of SmartDrive Ltd., Gary Fager of Malvern PANalytical, and Gao Ning of XOS for advice. KJ acknowledges support from EU-InterReg project SmartLight and from GOA Project SolarPaint (University of Antwerp Research Council). ; Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:152039 Serial 5665
Permanent link to this record
 

 
Author Alloul, A.; Ganigue, R.; Spiller, M.; Meerburg, F.; Cagnetta, C.; Rabaey, K.; Vlaeminck, S.E.
  Title Capture-ferment-upgrade : a three-step approach for the valorization of sewage organics as commodities Type A1 Journal article
  Year 2018 Publication Environmental science and technology Abbreviated Journal
  Volume 52 Issue 12 Pages 6729-6742
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract This critical review outlines a roadmap for the conversion of chemical oxygen demand (COD) contained in sewage to commodities based on three-steps: capture COD as sludge, ferment it to volatile fatty acids (VFA), and upgrade VFA to products. The article analyzes the state-of-the-art of this three step approach and discusses the bottlenecks and challenges. The potential of this approach is illustrated for the European Union's 28 member states (EU-28) through Monte Carlo simulations. High-rate contact stabilization captures the highest amount of COD (66-86 g COD person equivalent(-1) day(-1) in 60% of the iterations). Combined with thermal hydrolysis, this would lead to a VFA-yield of 23-44 g COD person equivalent(-1) day(-1). Upgrading VFA generated by the EU-28 would allow, in 60% of the simulations, for a yearly production of 0.2-2.0 megatonnes of esters, 0.7-1.4 megatonnes of polyhydroxyalkanoates or 0.6-2.2 megatonnes of microbial protein substituting, respectively, 20-273%, 70-140% or 21-72% of their global counterparts (i.e., petrochemical-based esters, bioplastics or fishmeal). From these flows, we conclude that sewage has a strong potential as biorefinery feedstock, although research is needed to enhance capture, fermentation and upgrading efficiencies. These developments need to be supported by economic/environmental analyses and policies that incentivize a more sustainable management of our resources.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000436018900004 Publication Date (down) 2018-05-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0013-936x; 1520-5851 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:151968 Serial 7574
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Author Vishwakarma, M.; Thota, N.; Karakulina, O.; Hadermann, J.; Mehta, B.R.
  Title Role of graphene inter layer on the formation of the MoS2 – CZTS interface during growth Type P1 Proceeding
  Year 2018 Publication (icc-2017) Abbreviated Journal
  Volume Issue Pages
  Keywords P1 Proceeding; Electron microscopy for materials research (EMAT)
  Abstract The growth of MoS2 layer near the Mo/CZTS interface during sulphurization process can have an impact on back contact cell parameters (series resistance and fill factor) depending upon the thickness or quality of MoS2. This study reports the dependence of the thickness of interfacial MoS2 layer on the growth of graphene at the interface between molybdenum back contact and deposited CZTS layer. The graphene layer reduces the accumulation of Zn/ZnS, Sn/SnO2 and formation of pores near the MoS2-CZTS interface. The use of graphene as interface layer can be potentially useful for improving the quality of Mo/MoS2/CZTS interface.
  Address
  Corporate Author Thesis
  Publisher Amer inst physics Place of Publication Melville Editor
  Language Wos 000436313003046 Publication Date (down) 2018-05-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume 1953 Series Issue Edition
  ISSN 978-0-7354-1648-2; 0094-243x; 0094-243x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 1 Open Access OpenAccess
  Notes ; The authors acknowledge support provided by DST project. M.V. acknowledges IIT Delhi for MHRD fellowship. Prof. B. R. Mehta acknowledges the support of the Schlumberger chair professorship. ; Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:153203 Serial 5126
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Author De Jong, M.; Florea, A.; Eliaerts, J.; Van Durme, F.; Samyn, N.; De Wael, K.
  Title Tackling poor specificity of cocaine color tests by electrochemical strategies Type A1 Journal article
  Year 2018 Publication Analytical chemistry Abbreviated Journal Anal Chem
  Volume 90 Issue 11 Pages 6811-6819
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract This paper presents electrochemical strategies for the fast screening of cocaine and most common cutting agents found in seized drug samples. First, a study on the performance of Scott color tests on cocaine and a wide range of cutting agents is described. The cutting agents causing false positive or false negative results when in mixture with cocaine are identified. To overcome the lack of specificity of color tests, we further propose a fast screening strategy by means of square wave voltammetry on disposable graphite screen printed electrodes, which reveals the unique fingerprint of cocaine and cutting agents. By employing a forward and backward scan and by a dual pH strategy, we enrich the electrochemical fingerprint and enable the simultaneous detection of cocaine and cutting agents. The effectiveness of the developed strategies was tested for the detection of cocaine in seized cocaine samples and compared with the color tests. Moreover, we prove the usefulness of square wave voltammetry for predicting possible interfering agents in color tests, based on the reduction peak of cobalt thiocyanate. The developed electrochemical strategies allow for a quick screening of seized cocaine samples resulting in a selective identification of drugs and cutting agents.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000434893200066 Publication Date (down) 2018-05-09
  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 6.32 Times cited 7 Open Access
  Notes ; This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 753223 Narcoreader. This work was also supported by Grants BR/314 /PI/APTADRU and IOF-SBO. ; Approved Most recent IF: 6.32
  Call Number UA @ admin @ c:irua:151316 Serial 5867
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Author Chelan, M.M.; Alijanpour, A.; Barani, H.; Motamedi, J.; Azadi, H.; Van Passel, S.
  Title Economic sustainability assessment in semi-steppe rangelands Type A1 Journal article
  Year 2018 Publication Science Of The Total Environment Abbreviated Journal Sci Total Environ
  Volume 637-638 Issue 637-638 Pages 112-119
  Keywords A1 Journal article; Engineering Management (ENM)
  Abstract This study was conducted to determine indices and components of economic sustainability assessment in the pastoral units of Sahand summer rangelands. The method was based on descriptive-analytical survey (experts and researchers) with questionnaires. Analysis of variance showed that the mean values of economic components are significantly different from each other and the efficiency component has the highest mean value (0.57). The analysis of rangeland pastoral unitswith the technique for order-preference by similarity to ideal solution (TOPSIS) indicated that from an economic sustainability standpoint, Garehgol (Ci = 0.519) and Badir Khan (Ci = 0.129), pastoral units ranked first and last, respectively. This study provides a clear understanding of existing resources and opportunities for policy makers that is crucial to approach economic sustainable development. Accordingly, this study can help better define sustainable development goals and monitor the progress of achieving them. (C) 2018 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000436605400012 Publication Date (down) 2018-05-09
  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; WoS full record; WoS citing articles
  Impact Factor 4.9 Times cited 7 Open Access
  Notes ; ; Approved Most recent IF: 4.9
  Call Number UA @ admin @ c:irua:153617 Serial 6190
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Author Muys, M.; Coppens, J.; Boon, N.; Vlaeminck, S.E.
  Title Photosynthetic oxygenation for urine nitrification Type A1 Journal article
  Year 2018 Publication Water science and technology Abbreviated Journal
  Volume 78 Issue 1 Pages 183-194
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000445517100020 Publication Date (down) 2018-05-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0273-1223; 1996-9732 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:152908 Serial 8381
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Author Gielis, J.; Caratelli, D.; de Jong van Coevorden, M.; Ricci, P.E.
  Title The common descent of biological shape description and special functions Type H1 Book chapter
  Year 2018 Publication Abbreviated Journal
  Volume 230 Issue Pages 119-131 T2 - Differential and difference equations
  Keywords H1 Book chapter; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Gielis transformations, with their origin in botany, are used to define square waves and trigonometric functions of higher order. They are rewritten in terms of Chebyshev polynomials. The origin of both, a uniform descriptor and the origin of orthogonal polynomials, can be traced back to a letter of Guido Grandi to Leibniz in 1713 on the mathematical description of the shape of flowers. In this way geometrical description and analytical tools are seamlessly combined.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000451375900010 Publication Date (down) 2018-05-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN 978-3-319-75646-2; 2194-1009; 978-3-319-75647-9; 978-3-319-75646-2 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:150949 Serial 7685
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Author Yusupov, M.; Lackmann, J.-W.; Razzokov, J.; Kumar, S.; Stapelmann, K.; Bogaerts, A.
  Title Impact of plasma oxidation on structural features of human epidermal growth factor Type A1 Journal article
  Year 2018 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
  Volume 15 Issue 8 Pages 1800022
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract We perform computer simulations supported by experiments to investigate the oxidation of an important signaling protein, that is, human epidermal growth factor (hEGF), caused by cold atmospheric plasma (CAP) treatment. Specifically, we study the conformational changes of hEGF with different degrees of oxidation, to mimic short and long CAP treatment times. Our results indicate that the oxidized structures become more flexible, due to their conformational changes and breakage of the disulfide bonds, especially at higher oxidation degrees. MM/GBSA calculations reveal that an increasing oxidation level leads to a lower binding free energy of hEGF with its receptor. These results help to understand the fundamentals of the use of CAP for wound healing versus cancer treatment at short and longer treatment times.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000441895700004 Publication Date (down) 2018-05-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1612-8850 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.846 Times cited 7 Open Access Not_Open_Access
  Notes Fonds Wetenschappelijk Onderzoek, 1200216N ; Bundesministerium für Bildung und Forschung, 03Z22DN12 ; Approved Most recent IF: 2.846
  Call Number PLASMANT @ plasmant @c:irua:152815 Serial 5008
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Author Van der Donck, M.; Zarenia, M.; Peeters, F.M.
  Title Excitons, trions, and biexcitons in transition-metal dichalcogenides : magnetic-field dependence Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 97 Issue 19 Pages 195408
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The influence of a perpendicular magnetic field on the binding energy and structural properties of excitons, trions, and biexcitons in monolayers of semiconducting transition metal dichalcogenides (TMDs) is investigated. The stochastic variational method (SVM) with a correlated Gaussian basis is used to calculate the different properties of these few-particle systems. In addition, we present a simplified variational approach which supports the SVM results for excitons as a function of magnetic field. The exciton diamagnetic shift is compared with recent experimental results, and we extend this concept to trions and biexcitons. The effect of a local potential fluctuation, which we model by a circular potential well, on the binding energy of trions and biexcitons is investigated and found to significantly increase the binding of those excitonic complexes.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000432024800005 Publication Date (down) 2018-05-07
  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 36 Open Access
  Notes ; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for M.V.D.D. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:151521UA @ admin @ c:irua:151521 Serial 5025
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Author Huygh, S.; Bogaerts, A.; Bal, K.M.; Neyts, E.C.
  Title High Coke Resistance of a TiO2Anatase (001) Catalyst Surface during Dry Reforming of Methane Type A1 Journal Article
  Year 2018 Publication Journal Of Physical Chemistry C Abbreviated Journal J Phys Chem C
  Volume 122 Issue 17 Pages 9389-9396
  Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
  Abstract The resistance of a TiO2 anatase (001) surface to coke formation was studied in the context of dry reforming of methane using density functional theory (DFT) calculations. As carbon atoms act as precursors for coke formation, the resistance to coke formation can be measured by the carbon coverage of the surface. This is related to the stability of different CHx (x = 0−3) species and their rate of hydrogenation and dehydrogenation on the TiO2 surface. Therefore, we studied the reaction mechanisms and their corresponding rates as a function of the temperature for the dehydrogenation of the species on the surface. We found that the stabilities of C and CH are significantly lower than those of CH3 and CH2. The hydrogenation rates of the different species are significantly higher than the dehydrogenation rates in a temperature range of 300−1000 K. Furthermore, we found that dehydrogenation of CH3, CH2, and CH will only occur at appreciable rates starting from 600, 900, and 900 K, respectively. On the basis of these results, it is clear that the anatase (001) surface has a high coke resistance, and it is thus not likely that the surface will become poisoned by coke during dry reforming of methane. As the rate limiting step in dry reforming is the dissociative adsorption of CH4, we studied an alternative approach to thermal catalysis. We found that the temperature threshold for dry reforming is at least 700 K. This threshold temperature may be lowered by the use of plasma-catalysis, where the appreciable rates of adsorption of plasma-generated CHx radicals result in bypassing the rate limiting step of the reaction.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000431723700014 Publication Date (down) 2018-05-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 1 Open Access OpenAccess
  Notes Federaal Wetenschapsbeleid, IAP/7 ; Fonds Wetenschappelijk Onderzoek, G.0217.14N ; Onderzoeksfonds, Universiteit Antwerpen, 32249 ; Approved Most recent IF: 4.536
  Call Number PLASMANT @ plasmant @c:irua:151529c:irua:152816 Serial 5000
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Author Saberi-Pouya, S.; Zarenia, M.; Perali, A.; Vazifehshenas, T.; Peeters, F.M.
  Title High-temperature electron-hole superfluidity with strong anisotropic gaps in double phosphorene monolayers Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 97 Issue 17 Pages 174503
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Excitonic superfluidity in double phosphorene monolayers is investigated using the BCS mean-field equations. Highly anisotropic superfluidity is predicted where we found that the maximum superfluid gap is in the Bose-Einstein condensate (BEC) regime along the armchair direction and in the BCS-BEC crossover regime along the zigzag direction. We estimate the highest Kosterlitz-Thouless transition temperature with maximum value up to similar to 90 K with onset carrier densities as high as 4 x 10(12) cm(-2). This transition temperature is significantly larger than what is found in double electron-hole few-layers graphene. Our results can guide experimental research toward the realization of anisotropic condensate states in electron-hole phosphorene monolayers.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000431986100002 Publication Date (down) 2018-05-02
  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 17 Open Access
  Notes ; We thank David Neilson for helpful discussions. This work was partially supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program of the Flemish government and Iran Ministry of Science, Research and Technology. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:151533UA @ admin @ c:irua:151533 Serial 5028
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Author Aierken, Y.; Sevik, C.; Gulseren, O.; Peeters, F.M.; Çakir, D.
  Title In pursuit of barrierless transition metal dichalcogenides lateral heterojunctions Type A1 Journal article
  Year 2018 Publication Nanotechnology Abbreviated Journal Nanotechnology
  Volume 29 Issue 29 Pages 295202
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract There is an increasing need to understand interfaces between two-dimensional materials to realize an energy efficient boundary with low contact resistance and small heat dissipation. In this respect, we investigated the impact of charge and substitutional atom doping on the electronic transport properties of the hybrid metallic-semiconducting lateral junctions, formed between metallic (1T and 1T(d)) and semiconducting (1H) phases of MoS2 by means of first-principles and non-equilibrium Green function formalism based calculations. Our results clearly revealed the strong influence of the type of interface and crystallographic orientation of the metallic phase on the transport properties of these systems. The Schottky barrier height, which is the dominant mechanism for contact resistance, was found to be as large as 0.63 eV and 1.19 eV for holes and electrons, respectively. We found that armchair interfaces are more conductive as compared to zigzag termination due to the presence of the metallic Mo zigzag chains that are directed along the transport direction. In order to manipulate these barrier heights we investigated the influence of electron doping of the metallic part (i.e. 1T(d) -MoS2). We observed that the Fermi level of the hybrid system moves towards the conduction band of semiconducting 1H-MoS2 due to filling of 4d-orbital of metallic MoS2, and thus the Schottky barrier for electrons decreases considerably. Besides electron doping, we also investigated the effect of substitutional doping of metallic MoS2 by replacing Mo atoms with either Re or Ta. Due to its valency, Re (Ta) behaves as a donor (acceptor) and reduces the Schottky barrier for electrons (holes). Since Re and Ta based transition metal dichalcogenides crystallize in either the 1T(d) or 1T phase, substitutional doping with these atom favors the stabilization of the 1T(d) phase of MoS2. Co-doping of hybrid structure results in an electronic structure, which facilities easy dissociation of excitons created in the 1H part.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Bristol Editor
  Language Wos 000432823800002 Publication Date (down) 2018-05-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.44 Times cited 4 Open Access
  Notes ; This work was supported by the bilateral project between the The Scientific and Technological Research Council of Turkey (TUBITAK) and FWO-Flanders, Flemish Science Foundation (FWO-VI) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRGrid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. We acknowledge the support from TUBITAK (Grant No. 115F024). ; Approved Most recent IF: 3.44
  Call Number UA @ lucian @ c:irua:151451UA @ admin @ c:irua:151451 Serial 5029
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Author Saberi-Pouya, S.; Vazifehshenas, T.; Saleh, M.; Farmanbar, M.; Salavati-fard, T.
  Title Plasmon modes in monolayer and double-layer black phosphorus under applied uniaxial strain Type A1 Journal article
  Year 2018 Publication Journal of applied physics Abbreviated Journal J Appl Phys
  Volume 123 Issue 17 Pages 174301
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We study the effects of an applied in-plane uniaxial strain on the plasmon dispersions of monolayer, bilayer, and double-layer black phosphorus structures in the long-wavelength limit within the linear elasticity theory. In the low-energy limit, these effects can be modeled through the change in the curvature of the anisotropic energy band along the armchair and zigzag directions. We derive analytical relations of the plasmon modes under uniaxial strain and show that the direction of the applied strain is important. Moreover, we observe that along the armchair direction, the changes of the plasmon dispersion with strain are different and larger than those along the zigzag direction. Using the analytical relations of two-layer phosphorene systems, we found that the strain-dependent orientation factor of layers could be considered as a means to control the variations of the plasmon energy. Furthermore, our study shows that the plasmonic collective modes are more affected when the strain is applied equally to the layers compared to the case in which the strain is applied asymmetrically to the layers. We also calculate the effect of strain on the drag resistivity in a double-layer black phosphorus structure and obtain that the changes in the plasmonic excitations, due to an applied strain, are mainly responsible for the predicted results. This study can be readily extended to other anisotropic two-dimensional materials. Published by AIP Publishing.
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
  Language Wos 000431651600014 Publication Date (down) 2018-05-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.068 Times cited 4 Open Access
  Notes ; ; Approved Most recent IF: 2.068
  Call Number UA @ lucian @ c:irua:151522UA @ admin @ c:irua:151522 Serial 5037
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Author Cautaerts, N.; Delville, R.; Stergar, E.; Schryvers, D.; Verwerft, M.
  Title Tailoring the Ti-C nanoprecipitate population and microstructure of titanium stabilized austenitic steels Type A1 Journal article
  Year 2018 Publication Journal of nuclear materials Abbreviated Journal J Nucl Mater
  Volume 507 Issue 507 Pages 177-187
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The present work reports on the microstructural evolution of a new heat of 24% cold worked austenitic DIN 1.4970 (15-15Ti) nuclear cladding steel subjected to ageing heat treatments of varying duration between 500 and 800 degrees C (by steps of 100 degrees C). The primary aim was studying the finely dispersed Ti-C nanoprecipitate population, which are thought to be beneficial for creep and swelling resistance during service. Their size distribution and number density were estimated through dark field imaging and bright field Moire imaging techniques in the transmission electron microscope. Nanoprecipitates formed at and above 600 degrees C, which is a lower temperature than previously reported. The observed nucleation, growth and coarsening behavior of the nanoprecipitates were consistent with simple diffusion arguments. The formation of nanoprecipitates coincided with significant dissociation of dislocations as evidenced by weak beam dark field imaging. Possible mechanisms, including Silcock's stacking fault growth model and Suzuki segregation, are discussed. Recrystallization observed after extended ageing at 800 degrees C caused the redissolution of nanoprecipitates. Large primary Ti(C,N) and (Ti,Mo)C precipitates that occur in the as-received material, and M23C6 precipitates that nucleate on grain boundaries at low temperatures were also characterized by a selective dissolution procedure involving filtration, X-ray diffraction and quantitative Rietveld refinement. The partitioning of key elements between the different phases was derived by combining these findings and was consistent with thermodynamic considerations and the processing history of the steel. (C) 2018 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000438019800021 Publication Date (down) 2018-04-30
  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 2.048 Times cited 1 Open Access Not_Open_Access
  Notes ; We would like to acknowledge ENGIE, SCK.CEN, the SCK.CEN academy and the MYRRHA project for the financial support of this work. Special thanks to T. Wangle and P. Dries for their help with filtration and gravimetry. Also thanks to Dr. G. Leinders for the discussions on XRD and Rietveld refinement. Thanks to E. Charalampopoulou and A. Youssef for assisting with the dissolution experiments. ; Approved Most recent IF: 2.048
  Call Number UA @ lucian @ c:irua:152382 Serial 5043
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Author Nyssen, J.; Fetene, F.; Dessie, M.; Alemayehu, G.; Sewnet, A.; Wassie, A.; Kibret, M.; Walraevens, K.; Derudder, B.; Nicolai, B.; Annys, S.; Tegegne, F.; Van Passel, S.; Frankl, A.; Verleyen, E.; Teklemariam, D.; Adgo, E.
  Title Persistence and changes in the peripheral Beles basin of Ethiopia Type A1 Journal article
  Year 2018 Publication Regional Environmental Change Abbreviated Journal Reg Environ Change
  Volume 18 Issue 7 Pages 2089-2104
  Keywords A1 Journal article; Economics; Engineering Management (ENM)
  Abstract We have investigated the relevance of the notion of “peripheralism” in the Beles basin. In this lowland border area of Ethiopia, important investments require an evaluation of their socio-economic and ecological impacts in the light of Ethiopia's Climate-Resilient Green Economy (CRGE) strategy. We contrasted literature of different periods with field observations. In the middle and lower parts of the basin, the Gumuz people traditionally practised shifting cultivation. Resettlement of highlanders is particularly linked to water and land resources. A large irrigation project was initiated in the 1980s, but vegetables and fruits face post-harvest losses. Large water transfers from Lake Tana since 2010 affect the movement of people, the hydrogeomorphology, and ecology of the river. In several parts of the basin, the settlers' economy now dominates. Many Gumuz became sedentary but maintained their agricultural system, particularly in the south of the lower basin. Land titling allowed allocation of “vacant” areas to transnational or domestic investors. As a result, the semi-natural vegetation is frequently replaced by open cropland, leading to decreased carbon storage and increased soil erosion. This and water abstraction for irrigation jeopardise hydropower production, in contradiction with the CRGE objectives. Despite the recent developments, the contrasts in economic activity make the core-periphery dichotomy to remain actual in the Beles basin. The resettlements and permanent cropping tend to make the upper basin part of the core. However, the installation of a transit road and commercial farms in the lower basin do not allow to consider that a non-peripheral integration has taken place.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000445234600017 Publication Date (down) 2018-04-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1436-3798 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.919 Times cited 3 Open Access
  Notes ; The authors acknowledge the numerous local inhabitants and authorities who shared their knowledge with us, particularly in Pawe and Dangur districts. All participants in group discussions and group excursions to the Beles basin are thanked for sharing ideas. The Institutional University Cooperation with Bahir Dar University (BDU-IUC), funded by the Belgian authorities, through the Flemish Interuniversity Council-University Development Cooperation, hosted the research activities. Lutgart Lenaerts (Norwegian University of Life Sciences) shared inspiring thoughts and Daniel Mege (Polish Academy of Sciences) provided useful documentation. Daniel Mege as well as Eric Movet (www.mydriase.fr) gave permission to use illustrations. The constructive comments on an earlier version of this paper by two anonymous reviewers and the editor are greatly acknowledged. ; Approved Most recent IF: 2.919
  Call Number UA @ admin @ c:irua:154137 Serial 6235
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Author Wang, W.; Snoeckx, R.; Zhang, X.; Cha, M.S.; Bogaerts, A.
  Title Modeling Plasma-based CO2and CH4Conversion in Mixtures with N2, O2, and H2O: The Bigger Plasma Chemistry Picture Type A1 Journal article
  Year 2018 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 122 Issue 16 Pages 8704-8723
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Because of the unique properties of plasma technology, its use in gas conversion applications is gaining significant interest around the globe. Plasma-based CO2 and CH4 conversion has become a major research area. Many investigations have already been performed regarding the single-component gases, that is, CO2 splitting and CH4 reforming, as well as for two-component mixtures, that is, dry reforming of methane

(CO2/CH4), partial oxidation of methane (CH4/O2), artificial photosynthesis (CO2/H2O), CO2 hydrogenation (CO2/H2), and even first steps toward the influence of N2 impurities have been taken, that is, CO2/N2 and CH4/N2. In this Feature Article we briefly discuss the advances made in literature for these different steps from a plasma chemistry modeling point of view. Subsequently, we present a comprehensive plasma chemistry set, combining the knowledge gathered in this field so far and supported with extensive experimental data. This set can be used for chemical kinetics plasma modeling for all possible combinations of CO2, CH4, N2, O2, and H2O to investigate the bigger picture of the underlying plasmachemical pathways for these mixtures in a dielectric barrier discharge plasma. This is extremely valuable

for the optimization of existing plasma-based CO2 conversion and CH4 reforming processes as well as for investigating the influence of N2, O2, and H2O on these processes and even to support plasma-based multireforming processes.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000431151200002 Publication Date (down) 2018-04-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 28 Open Access OpenAccess
  Notes Federaal Wetenschapsbeleid, IAP/7 ; King Abdullah University of Science and Technology; H2020 Marie Sklodowska-Curie Actions, 657304 ; Fonds Wetenschappelijk Onderzoek, G.0217.14N G.0383.16N G.0254.14N ; Approved Most recent IF: 4.536
  Call Number PLASMANT @ plasmant @c:irua:150969 Serial 4922
Permanent link to this record
 

 
Author Simchi, H.; Simchi, M.; Fardmanesh, M.; Peeters, F.M.
  Title Phase transition and field effect topological quantum transistor made of monolayer MoS2 Type A1 Journal article
  Year 2018 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
  Volume 30 Issue 23 Pages 235303
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We study topological phase transitions and topological quantum field effect transistor in monolayer molybdenum disulfide (MoS2) using a two-band Hamiltonian model. Without considering the quadratic (q(2)) diagonal term in the Hamiltonian, we show that the phase diagram includes quantum anomalous Hall effect, quantum spin Hall effect, and spin quantum anomalous Hall effect regions such that the topological Kirchhoff law is satisfied in the plane. By considering the q(2) diagonal term and including one valley, it is shown that MoS2 has a non-trivial topology, and the valley Chern number is non-zero for each spin. We show that the wave function is (is not) localized at the edges when the q(2) diagonal term is added (deleted) to (from) the spin-valley Dirac mass equation. We calculate the quantum conductance of zigzag MoS2 nanoribbons by using the nonequilibrium Green function method and show how this device works as a field effect topological quantum transistor.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000432821600001 Publication Date (down) 2018-04-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.649 Times cited 2 Open Access
  Notes ; ; Approved Most recent IF: 2.649
  Call Number UA @ lucian @ c:irua:151457UA @ admin @ c:irua:151457 Serial 5035
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Author Miliani, C.; Monico, L.; Melo, M.J.; Fantacci, S.; Angelin, E.M.; Romani, A.; Janssens, K.
  Title Photochemistry of Artists' Dyes and Pigments : towards better understanding and prevention of colour change in works of art Type A1 Journal article
  Year 2018 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit
  Volume 57 Issue 25 Pages 7324-7334
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract The absorption of light gives a pigment its colour and its reason for being, but it also creates excited states, that is, new molecules with an energy excess that can be dissipated through degradation pathways. Photodegradation processes provoke long-term, cumulative and irreversible colour changes (fading, darkening, blanching) of which the prediction and prevention are challenging tasks. Of all the environmental risks that affect heritage materials, light exposure is the only one that cannot be controlled without any impact on the optimal display of the exhibit. Light-induced alterations are not only associated with the pigment itself but also with its interactions with support/binder and, in turn, are further complicated by the nature of the environmental conditions. In this Minireview we investigate how chemistry, encompassing multi-scale analytical investigations of works of art, computational modelling and physical and chemical studies contributes to improve our prediction of artwork appearance before degradation and to establish effective preventive conservation strategies.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000434949200006 Publication Date (down) 2018-04-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1433-7851; 0570-0833 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 11.994 Times cited 10 Open Access
  Notes ; We acknowledge: ACS and APS for the permission to adapt Figure 1c,d; RSC to adapt Figures 1e, 3c,d and 4a; Wiley and IUCr to adapt Figures 3b and 4b-d; for the detail of a Andean textile in Figure 5, Museum of Fine Arts, Boston, USA; for the illuminated initial in Figure 6, Torre do Tombo (ANTT). Financial support from the H2020 project IPERION-CH (GA. 654028) is gratefully acknowledged. ; Approved Most recent IF: 11.994
  Call Number UA @ admin @ c:irua:153184 Serial 5769
Permanent link to this record
 

 
Author de Aquino, B.R.H.; Ghorbanfekr-Kalashami, H.; Neek-Amal, M.; Peeters, F.M.
  Title Electrostrictive behavior of confined water subjected to GPa pressure Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 97 Issue 14 Pages 144111
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Water inside a nanocapillary exhibits unconventional structural and dynamical behavior due to its ordered structure. The confining walls, density, and lateral pressures control profoundly the microscopic structure of trapped water. Here we study the electrostriction of confined water subjected to pressures of the order of GPa for two different setups: (i) a graphene nanochannel containing a constant number of water molecules independent of the height of the channel, (ii) an open nanochannel where water molecules can be exchanged with those in a reservoir. For the former case, a square-rhombic structure of confined water is formed when the height of the channel is d = 6.5 angstrom having a density of rho = 1.42 g cm(-3). By increasing the height of the channel, a transition from a flat to a buckled state occurs, whereas the density rapidly decreases and reaches the bulk density for d congruent to 8.5 angstrom. When a perpendicular electric field is applied, the water structure and the lateral pressure change. For strong electric fields (similar to 1 V/angstrom), the square-rhombic structure is destroyed. For an open setup, a solid phase of confined water consisting of an imperfect square-rhombic structure is formed. By applying a perpendicular field, the density and phase of confined water change. However, the density and pressure inside the channel decrease as compared to the first setup. Our study is closely related to recent experiments on confined water, and it reveals the sensitivity of the microscopic structure of confined water to the size of the channel, the external electric field, and the experimental setup.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000430809300002 Publication Date (down) 2018-04-25
  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 6 Open Access
  Notes ; This work was supported by the Fund for Scientific Research-Flanders (FWO-Vl) and the Methusalem programe. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:151574UA @ admin @ c:irua:151574 Serial 5023
Permanent link to this record
 

 
Author Li, L.L.; Partoens, B.; Peeters, F.M.
  Title Tuning the electronic properties of gated multilayer phosphorene : a self-consistent tight-binding study Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 97 Issue 15 Pages 155424
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract By taking account of the electric-field-induced charge screening, a self-consistent calculation within the framework of the tight-binding approach is employed to obtain the electronic band structure of gated multilayer phosphorene and the charge densities on the different phosphorene layers. We find charge density and screening anomalies in single-gated multilayer phosphorene and electron-hole bilayers in dual-gated multilayer phosphorene. Due to the unique puckered lattice structure, both intralayer and interlayer charge screenings are important in gated multilayer phosphorene. We find that the electric-field tuning of the band structure of multilayer phosphorene is distinctively different in the presence and absence of charge screening. For instance, it is shown that the unscreened band gap of multilayer phosphorene decreases dramatically with increasing electric-field strength. However, in the presence of charge screening, the magnitude of this band-gap decrease is significantly reduced and the reduction depends strongly on the number of phosphorene layers. Our theoretical results of the band-gap tuning are compared with recent experiments and good agreement is found.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000430459400005 Publication Date (down) 2018-04-20
  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 26 Open Access
  Notes ; This work was financially supported by the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:150752UA @ admin @ c:irua:150752 Serial 4988
Permanent link to this record
 

 
Author Verbeeck, J.; Béché, A.; Müller-Caspary, K.; Guzzinati, G.; Luong, M.A.; Den Hertog, M.
  Title Demonstration of a 2 × 2 programmable phase plate for electrons Type A1 Journal article
  Year 2018 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
  Volume 190 Issue Pages 58-65
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract First results on the experimental realisation of a 2 × 2 programmable phase plate for electrons are presented. The design consists of an array of electrostatic elements that influence the phase of electron waves passing through 4 separately controllable aperture holes. This functionality is demonstrated in a conventional transmission electron microscope operating at 300 kV and results are in very close agreement with theoretical predictions. The dynamic creation of a set of electron probes with different phase symmetry is demonstrated, thereby bringing adaptive optics in TEM one step closer to reality. The limitations of the current design and how to overcome these in the future are discussed. Simulations show how further evolved versions of the current proof of concept might open new and exciting application prospects for beam shaping and aberration correction.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000432868800007 Publication Date (down) 2018-04-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.843 Times cited 73 Open Access Not_Open_Access: Available from 19.04.2020
  Notes J.V. and A.B. acknowledge funding from the Fund for Scientific Research Flanders FWO project G093417N and the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant 278510 VORTEX and ERC proof of concept project DLV-789598 ADAPTEM. The Qu-Ant-EM microscope used in this work was partly funded by the Hercules fund from the Flemish Government. MdH acknowledges financial support from the ANRCOSMOS (ANR-12-JS10-0002). MdH and ML acknowledge funding from the Laboratoire d’excellence LANEF in Grenoble (ANR-10-LABX-51-01). Approved Most recent IF: 2.843
  Call Number EMAT @ emat @c:irua:150459UA @ admin @ c:irua:150459 Serial 4920
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Author Demirtas, M.; Odaci, C.; Perkgoz, N.K.; Sevik, C.; Ay, F.
  Title Low Loss Atomic Layer Deposited Al2O3 Waveguides for Applications in On-Chip Optical Amplifiers Type A1 Journal article
  Year 2018 Publication IEEE journal of selected topics in quantum electronics Abbreviated Journal
  Volume 24 Issue 4 Pages 3100508
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We present the growth and optimization of ultralow loss Si-based Al2O3 planar waveguides, which have a high potential to boost the performance of rare-earth ion doped waveguide devices operating at visible and C-band wavelength ranges. The planar waveguide structures are grown using thermal atomic layer deposition. Systematic characterization of the obtained thin films is performed by spectroscopic ellipsometry, X-ray diffraction, Fourier transform infrared spectroscopy, and X-ray photoelectron spectroscopy analyses, and the optimum parameters are identified. The optical loss measurements for both transverse electric (TE) and transverse magnetic polarized light at 633, 829, and 1549 nm are performed. The lowest propagation loss value of 0.04 +/- 0.02 dB/cm for the Al2O3 waveguides for TE polarization at 1549 nm is demonstrated.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000431396300001 Publication Date (down) 2018-04-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1077-260x 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:193780 Serial 8187
Permanent link to this record
 

 
Author Flammia, L.; Zhang, L.-F.; Covaci, L.; Perali, A.; Milošević, M.V.
  Title Superconducting nanoribbon with a constriction : a quantum-confined Josephson junction Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 97 Issue 13 Pages 134514
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Extended defects are known to strongly affect nanoscale superconductors. Here, we report the properties of superconducting nanoribbons with a constriction formed between two adjacent step edges by solving the Bogoliubov-de Gennes equations self-consistently in the regime where quantum confinement is important. Since the quantum resonances of the superconducting gap in the constricted area are different from the rest of the nanoribbon, such constriction forms a quantum-confined S-S'-S Josephson junction, with a broadly tunable performance depending on the length and width of the constriction with respect to the nanoribbon, and possible gating. These findings provide an intriguing approach to further tailor superconducting quantum devices where Josephson effect is of use.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000430161500004 Publication Date (down) 2018-04-17
  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 7 Open Access
  Notes ; This work was supported by the Research Foundation Flanders (FWO-Vlaanderen), the Special Research Funds of the University of Antwerp (TOPBOF), the Italian MIUR through the PRIN 2015 program (Contract No. 2015C5SEJJ001), the MultiSuper network, and the EU-COST NANOCOHYBRI action CA16218. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:150754UA @ admin @ c:irua:150754 Serial 4980
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Author Leus, K.; Folens, K.; Nicomel, N.R.; Perez, J.P.H.; Filippousi, M.; Meledina, M.; Dirtu, M.M.; Turner, S.; Van Tendeloo, G.; Garcia, Y.; Du Laing, G.; Van Der Voort, P.
  Title Removal of arsenic and mercury species from water by covalent triazine framework encapsulated \gamma-Fe2O3 nanoparticles Type A1 Journal article
  Year 2018 Publication Journal of hazardous materials Abbreviated Journal J Hazard Mater
  Volume 353 Issue 353 Pages 312-319
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The covalent triazine framework, CTF-1, served as host material for the in situ synthesis of Fe2O3 nanoparticles. The composite material consisted of 20 +/- 2 m% iron, mainly in gamma-Fe2O3 phase. The resulting gamma-Fe2O3@CTF-1 was examined for the adsorption of As-III, As-V and H-II from synthetic solutions and real surface-, ground- and wastewater. The material shows excellent removal efficiencies, independent from the presence of Ca2+, Mg2+ or natural organic matter and only limited dependency on the presence of phosphate ions. Its adsorption capacity towards arsenite (198.0 mg g(-1)), arsenate (102.3 mg g(-1)) and divalent mercury (165.8 mg g(-1)) belongs amongst the best-known adsorbents, including many other iron-based materials. Regeneration of the adsorbent can be achieved for use over multiple cycles without a decrease in performance by elution at 70 degrees C with 0.1 M NaOH, followed by a stirring step in a 5 m% H2O2 solution for As or 0.1 M thiourea and 0.001 M HCl for Hg. In highly contaminated water (100 mu gL(-1)), the adsorbent polishes the water quality to well below the current WHO limits.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000438002800035 Publication Date (down) 2018-04-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0304-3894 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.065 Times cited 22 Open Access OpenAccess
  Notes ; Karen Leus acknowledges financial support from Ghent University. Nina Ricci Nicomel and Jeffrey Paulo H. Perez thank the funding of the VLIR-UOS. Marinela M. Dirtu acknowledges F.R.S.-FNRS for a Charge de recherches position. Stuart Turner gratefully acknowledges the FWO Vlaanderen for a post-doctoral scholarship. The Titan microscope used for this investigation was partially funded by the Hercules foundation of the Flemish government. This work was supported by the Belgian IAP-PAI network. ; Approved Most recent IF: 6.065
  Call Number UA @ lucian @ c:irua:152430 Serial 5124
Permanent link to this record
 

 
Author Grieb, T.; Krause, F.F.; Schowalter, M.; Zillmann, D.; Sellin, R.; Müller-Caspary, K.; Mahr, C.; Mehrtens, T.; Bimberg, D.; Rosenauer, A.
  Title Strain analysis from nano-beam electron diffraction : influence of specimen tilt and beam convergence Type A1 Journal article
  Year 2018 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
  Volume 190 Issue 190 Pages 45-57
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Strain analyses from experimental series of nano-beam electron diffraction (NBED) patterns in scanning transmission electron microscopy are performed for different specimen tilts. Simulations of NBED series are presented for which strain analysis gives results that are in accordance with experiment. This consequently allows to study the relation between measured strain and actual underlying strain. A two-tilt method which can be seen as lowest-order electron beam precession is suggested and experimentally implemented. Strain determination from NBED series with increasing beam convergence is performed in combination with the experimental realization of a probe-forming aperture with a cross inside. It is shown that using standard evaluation techniques, the influence of beam convergence on spatial resolution is lower than the influence of sharp rings around the diffraction disc which occur at interfaces and which are caused by the tails of the intensity distribution of the electron probe. (C) 2018 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000432868800006 Publication Date (down) 2018-04-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.843 Times cited 1 Open Access OpenAccess
  Notes ; This work was supported by the German Research Foundation (DFG) under Contracts RO2057/11-1 and RO2057/12-1. ; Approved Most recent IF: 2.843
  Call Number UA @ lucian @ c:irua:151454 Serial 5041
Permanent link to this record
 

 
Author Song, H.-D.; Wu, Y.-F.; Yang, X.; Ren, Z.; Ke, X.; Kurttepeli, M.; Tendeloo, G.V.; Liu, D.; Wu, H.-C.; Yan, B.; Wu, X.; Duan, C.-G.; Han, G.; Liao, Z.-M.; Yu, D.
  Title Asymmetric Modulation on Exchange Field in a Graphene/BiFeO3Heterostructure by External Magnetic Field Type A1 Journal article
  Year 2018 Publication Nano letters Abbreviated Journal Nano Lett
  Volume 18 Issue 4 Pages 2435-2441
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Graphene, having all atoms on its surface, is favorable to extend the functions by introducing the spin–orbit coupling and magnetism through proximity effect. Here, we report the tunable interfacial exchange field produced by proximity coupling in graphene/BiFeO3 heterostructures. The exchange field has a notable dependence with external magnetic field, and it is much larger under negative magnetic field than that under positive magnetic field. For negative external magnetic field, interfacial exchange coupling gives rise to evident spin splitting for N ≠ 0 Landau levels and a quantum Hall metal state for N = 0 Landau level. Our findings suggest graphene/BiFeO3 heterostructures are promising for spintronics.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000430155900034 Publication Date (down) 2018-04-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 12.712 Times cited 9 Open Access Not_Open_Access
  Notes This work was supported by National Key Research and Development Program of China (No. 2016YFA0300802) and NSFC (Nos. 11774004 and 11604004). Ministry of Science and Technology of the People's Republic of China, 2016YFA0300802 ; National Natural Science Foundation of China, 11604004 11774004 ; Approved Most recent IF: 12.712
  Call Number EMAT @ lucian @c:irua:150794 Serial 4923
Permanent link to this record
 

 
Author Tarakanov, P.A.; Tarakanova, E.N.; Dorovatovskii, P.V.; Zubavichus, Y.V.; Khrustalev, V.N.; Trashin, S.A.; De Wael, K.; Neganova, M.E.; Mischenko, D.V.; Sessler, J.L.; Stuzhin, P.A.; Pushkarev, V.E.; Tomilova, L.G.
  Title Optical readout of controlled monomer-dimer self-assembly Type A1 Journal article
  Year 2018 Publication Journal of the Chemical Society : Dalton transactions Abbreviated Journal
  Volume 47 Issue 40 Pages 14169-14173
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract 5,7-Substituted 1,4-diazepinoporphyrazine magnesium(II) complexes were synthesized via Mg(II)-alkoxide templated macrocyclization. A single crystal growth synchrotron diffraction analysis permitted what is to our knowledge the first structural characterization of a 1,4-diazepinoporphyrazine. It exists as a dimer in the solid state. In silico calculations supported by solution phase spectral studies involving a series of representative derivatives, provided insights into the factors governing dimerization of 1,4-diazepinoporphyrazines. The present 1,4-diazepinoporphyrazines serve as useful probes for understanding the determinants that guide dimermonomer equilibria and the self-assembly of phthalocyanine derivatives.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000447708900005 Publication Date (down) 2018-04-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0300-9246; 1477-9226; 1472-7773 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 4 Open Access
  Notes ; We thank Dr Alexander V. Chernyak for recording the NMR spectra. Synthetic and optical spectroscopic studies in this work were supported by the RSF (Grant 17-73-10413). NMR studies were supported by the Council under the President of the Russian Federation for State Support of Young Scientists and Leading Scientific Schools (Grant MD-2991.2017.3). SR-XRD studies were supported by the RUDN University Program “5-100”. We also acknowledge support of electrochemical, in vitro and in vivo studies by the State Assignment (Theme 45.5 Creation of compounds with given physicochemical properties) and the facilities provided by the Center of Collective Use of IPAC RAS (Chernogolovka, Russia). Single-crystal X-ray measurements have been performed at the unique scientific facility Kurchatov Synchrotron Radiation Source supported by the Ministry of Education and Science of the Russian Federation (project code RFMEFI61917X0007). ; Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:151294 Serial 5755
Permanent link to this record
 

 
Author Dong, Y.; Chen, S.-Y.; Lu, Y.; Xiao, Y.-X.; Hu, J.; Wu, S.-M.; Deng, Z.; Tian, G.; Chang, G.-G.; Li, J.; Lenaerts, S.; Janiak, C.; Yang, X.-Y.; Su, B.-L.
  Title Hierarchical MoS2@TiO2 heterojunctions for enhanced photocatalytic performance and electrocatalytic hydrogen evolution Type A1 Journal article
  Year 2018 Publication Chemistry: an Asian journal Abbreviated Journal Chem-Asian J
  Volume 13 Issue 12 Pages 1609-1615
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Hierarchical MoS2@TiO2 heterojunctions were synthesized through a one-step hydrothermal method by using protonic titanate nanosheets as the precursor. The TiO2 nanosheets prevent the aggregation of MoS2 and promote the carrier transfer efficiency, and thus enhance the photocatalytic and electrocatalytic activity of the nanostructured MoS2. The obtained MoS2@TiO2 has significantly enhanced photocatalytic activity in the degradation of rhodamineB (over 5.2times compared with pure MoS2) and acetone (over 2.8times compared with pure MoS2). MoS2@TiO2 is also beneficial for electrocatalytic hydrogen evolution (26times compared with pure MoS2, based on the cathodic current density). This work offers a promising way to prevent the self-aggregation of MoS2 and provides a new insight for the design of heterojunctions for materials with lattice mismatches.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000435773300011 Publication Date (down) 2018-04-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1861-4728; 1861-471x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.083 Times cited 22 Open Access
  Notes ; This work was supported by the National Key R&D Program of China (2017YFC1103800), PCSIRT (IRT15R52), NSFC (U1662134, U1663225, 51472190, 51611530672, 51503166, 21706199, 21711530705), ISTCP (2015DFE52870), HPNSF (2016CFA033, 2017CFB487), and SKLPPC (PPC2016007). ; Approved Most recent IF: 4.083
  Call Number UA @ admin @ c:irua:151971 Serial 5956
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Author Sarikurt, S.; Çakir, D.; Keceli, M.; Sevik, C.
  Title The influence of surface functionalization on thermal transport and thermoelectric properties of MXene monolayers Type A1 Journal article
  Year 2018 Publication Nanoscale Abbreviated Journal
  Volume 10 Issue 18 Pages 8859-8868
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract The newest members of a two-dimensional material family, involving transition metal carbides and nitrides (called MXenes), have garnered increasing attention due to their tunable electronic and thermal properties depending on the chemical composition and functionalization. This flexibility can be exploited to fabricate efficient electrochemical energy storage (batteries) and energy conversion (thermoelectric) devices. In this study, we calculated the Seebeck coefficients and lattice thermal conductivity values of oxygen terminated M2CO2 (where M = Ti, Zr, Hf, Sc) monolayer MXene crystals in two different functionalization configurations (model-II (MD-II) and model-III (MD-III)), using density functional theory and Boltzmann transport theory. We estimated the thermoelectric figure-of-merit, zT, of these materials by two different approaches, as well. First of all, we found that the structural model (i.e. adsorption site of oxygen atom on the surface of MXene) has a paramount impact on the electronic and thermoelectric properties of MXene crystals, which can be exploited to engineer the thermoelectric properties of these materials. The lattice thermal conductivity kappa(l), Seebeck coefficient and zT values may vary by 40% depending on the structural model. The MD-III configuration always has the larger band gap, Seebeck coefficient and zT, and smaller kappa(l) as compared to the MD-II structure due to a larger band gap, highly flat valence band and reduced crystal symmetry in the former. The MD-III configuration of Ti2CO2 and Zr2CO2 has the lowest kappa(l) as compared to the same configuration of Hf2CO2 and Sc2CO2. Among all the considered structures, the MD-II configuration of Hf2CO2 has the highest kappa(l), and Ti2CO2 and Zr2CO2 in the MD-III configuration have the lowest kappa(l). For instance, while the band gap of the MD-II configuration of Ti2CO2 is 0.26 eV, it becomes 0.69 eV in MD-III. The zT(max) value may reach up to 1.1 depending on the structural model of MXene.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000432096400055 Publication Date (down) 2018-04-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2040-3364; 2040-3372 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:193788 Serial 8654
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Author Hu, S.; Gopinadhan, K.; Rakowski, A.; Neek-Amal, M.; Heine, T.; Grigorieva, I.V.; Haigh, S.J.; Peeters, F.M.; Geim, A.K.; Lozada-Hidalgo, M.
  Title Transport of hydrogen isotopes through interlayer spacing in van der Waals crystals Type A1 Journal article
  Year 2018 Publication Nature nanotechnology Abbreviated Journal Nat Nanotechnol
  Volume 13 Issue 6 Pages 468-+
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract Atoms start behaving as waves rather than classical particles if confined in spaces commensurate with their de Broglie wavelength. At room temperature this length is only about one angstrom even for the lightest atom, hydrogen. This restricts quantum-confinement phenomena for atomic species to the realm of very low temperatures(1-5). Here, we show that van der Waals gaps between atomic planes of layered crystals provide angstrom-size channels that make quantum confinement of protons apparent even at room temperature. Our transport measurements show that thermal protons experience a notably higher barrier than deuterons when entering van der Waals gaps in hexagonal boron nitride and molybdenum disulfide. This is attributed to the difference in the de Broglie wavelengths of the isotopes. Once inside the crystals, transport of both isotopes can be described by classical diffusion, albeit with unexpectedly fast rates comparable to that of protons in water. The demonstrated angstrom-size channels can be exploited for further studies of atomistic quantum confinement and, if the technology can be scaled up, for sieving hydrogen isotopes.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000434715700015 Publication Date (down) 2018-04-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1748-3387; 1748-3395 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 38.986 Times cited 32 Open Access
  Notes ; The authors acknowledge support from the Lloyd's Register Foundation, EPSRC – EP/N010345/1, the European Research Council ARTIMATTER project – ERC-2012-ADG and from Graphene Flagship. M.L.-H. acknowledges a Leverhulme Early Career Fellowship. ; Approved Most recent IF: 38.986
  Call Number UA @ lucian @ c:irua:152014UA @ admin @ c:irua:152014 Serial 5046
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