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Author Singh, V.; Mehta, B.R.; Sengar, S.K.; Karakulina, O.M.; Hadermann, J.; Kaushal, A.
Title Achieving independent control of core diameter and carbon shell thickness in Pd-C core–shell nanoparticles by gas phase synthesis Type A1 Journal article
Year 2017 Publication Nanotechnology Abbreviated Journal Nanotechnology
Volume 28 Issue 29 Pages 295603
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Pd-C core–shell nanoparticles with independently controllable core size and shell thickness are grown by gas phase synthesis. First, the core size is selected by electrical mobility values of charged particles, and second, the shell thickness is controlled by the concentration of carbon precursor gas. The carbon shell grows by adsorption of carbon precursor gas molecules on the surface of nanoparticles, followed by sintering. The presence of a carbon shell on Pd nanoparticles is potentially important in hydrogen-related applications operating at high temperatures or in catalytic reactions in acidic/aqueous environments.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000404633200002 Publication Date 2017-06-28
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 (up) 3.44 Times cited 1 Open Access Not_Open_Access
Notes VS is thankful to the All India Council for Technical Education, India, for providing assistantship under its Quality Improvement Programme. BRM gratefully acknowledges the support of the Nanomission Programme of the Department of Science and Technology (DST), India and Schlumberger Chair Professorship. BRM would also like to acknowledge the support from the project funded by BRNS, DAE, India. Approved Most recent IF: 3.44
Call Number EMAT @ emat @c:irua:144831 Serial 4712
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Author Zhang, R.; Wu, Z.; Li, X.J.; Li, L.L.; Chen, Q.; Li, Y.-M.; Peeters, F.M.
Title Fano resonances in bilayer phosphorene nanoring Type A1 Journal article
Year 2018 Publication Nanotechnology Abbreviated Journal Nanotechnology
Volume 29 Issue 21 Pages 215202
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Tunable transport properties and Fano resonances are predicted in a circular bilayer phosphorene nanoring. The conductance exhibits Fano resonances with varying incident energy and applied perpendicular magnetic field. These Fano resonance peaks can be accurately fitted with the well known Fano curves. When a magnetic field is applied to the nanoring, the conductance oscillates periodically with magnetic field which is reminiscent of the Aharonov-Bohm effect. Fano resonances are tightly related to the discrete states in the central nanoring, some of which are tunable by the magnetic field.
Address
Corporate Author Thesis
Publisher Place of Publication Bristol Editor
Language Wos 000428920200001 Publication Date 2018-03-08
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 (up) 3.44 Times cited 4 Open Access
Notes ; This work was supported by Grant No. 2017YFA0303400 from the National Key R&D Program of China, the Flemish Science Foundation, the grants No. 2016YFE0110000, No. 2015CB921503, and No. 2016YFA0202300 from the MOST of China, the NSFC (Grants Nos. 11504366, 11434010, 61674145 and 61774168) and CAS (Grants No. QYZDJ-SSW-SYS001). ; Approved Most recent IF: 3.44
Call Number UA @ lucian @ c:irua:150713UA @ admin @ c:irua:150713 Serial 4968
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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 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 (up) 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 Shah, N.A.; Li, L.L.; Mosallanejad, V.; Peeters, F.M.; Guo, G.-P.
Title Transport characteristics of multi-terminal pristine and defective phosphorene systems Type A1 Journal article
Year 2019 Publication Nanotechnology Abbreviated Journal Nanotechnology
Volume 30 Issue 45 Pages 455705
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Atomic vacancies and nanopores act as local scattering centers and modify the transport properties of charge carriers in phosphorene nanoribbons (PNRs). We investigate the influence of such atomic defects on the electronic transport of multi-terminal PNR. We use the non-equilibrium Green's function approach within the tight-binding framework to calculate the transmission coefficient and the conductance. Terminals induce band mixing resulting in oscillations in the conductance. In the presence of atomic vacancies and nanopores the conductance between non-axial terminals exhibit constructive scattering, which is in contrast to mono-axial two-terminal systems where the conductance exhibits destructive scattering. This can be understood from the spatial local density of states of the transport modes in the system. Our results provide fundamental insights into the electronic transport in PNR-based multi-terminal systems and into the ability of atomic defects and nanopores through tuning the transport properties.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000483049100001 Publication Date 2019-08-07
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 (up) 3.44 Times cited 7 Open Access
Notes ; This work was supported by the National Key Research and Development Program of China (Grant No. 2016YFA0301700), the NNSFC (Grant No. 11625419), the Strategic Priority Research Program of the CAS (Grant Nos. XDB24030601 and XDB30000000), the Anhui initiative in Quantum information Technologies (Grants No. AHY080000), and the Flemish Science Foundation (FWO-Vl). This work was also supported by the Chinese Academy of Sciences and the World Academy of Science for the advancement of science in developing countries. ; Approved Most recent IF: 3.44
Call Number UA @ admin @ c:irua:162760 Serial 5429
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Author Bafekry, A.; Shahrokhi, M.; Shafique, A.; Jappor, H.R.; Shojaei, F.; Feghhi, S.A.H.; Ghergherehchi, M.; Gogova, D.
Title Two-dimensional carbon nitride C₆N nanosheet with egg-comb-like structure and electronic properties of a semimetal Type A1 Journal article
Year 2021 Publication Nanotechnology Abbreviated Journal Nanotechnology
Volume 32 Issue 21 Pages 215702
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract In this study, the structural, electronic and optical properties of theoretically predicted C6N monolayer structure are investigated by means of Density Functional Theory-based First-Principles Calculations. Phonon band dispersion calculations and molecular dynamics simulations reveal the dynamical and thermal stability of the C6N single-layer structure. We found out that the C6N monolayer has large negative in-plane Poisson's ratios along both X and Y direction and the both values are almost four times that of the famous-pentagraphene. The electronic structure shows that C6N monolayer is a semi-metal and has a Dirac-point in the BZ. The optical analysis using the random phase approximation method constructed over HSE06 illustrates that the first peak of absorption coefficient of the C6N monolayer along all polarizations is located in the IR range of spectrum, while the second absorption peak occurs in the visible range, which suggests its potential applications in optical and electronic devices. Interestingly, optically anisotropic character of this system is highly desirable for the design of polarization-sensitive photodetectors. Thermoelectric properties such as Seebeck coefficient, electrical conductivity, electronic thermal conductivity and power factor are investigated as a function of carrier doping at temperatures 300, 400, and 500 K. In general, we predict that the C6N monolayer could be a new platform for study of novel physical properties in two-dimensional semi-metal materials, which may provide new opportunities to realize high-speed low-dissipation devices.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000624531500001 Publication Date 2020-12-18
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 (up) 3.44 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.44
Call Number UA @ admin @ c:irua:176648 Serial 6740
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Author Osca, J.; Moors, K.; Sorée, B.; Serra, L.
Title Fabry-Perot interferometry with gate-tunable 3D topological insulator nanowires Type A1 Journal article
Year 2021 Publication Nanotechnology Abbreviated Journal Nanotechnology
Volume 32 Issue 43 Pages 435002
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Three-dimensional topological insulator (3D TI) nanowires display remarkable magnetotransport properties that can be attributed to their spin-momentum-locked surface states such as quasiballistic transport and Aharonov-Bohm oscillations. Here, we focus on the transport properties of a 3D TI nanowire with a gated section that forms an electronic Fabry-Perot (FP) interferometer that can be tuned to act as a surface-state filter or energy barrier. By tuning the carrier density and length of the gated section of the wire, the interference pattern can be controlled and the nanowire can become fully transparent for certain topological surface-state input modes while completely filtering out others. We also consider the interplay of FP interference with an external magnetic field, with which Klein tunneling can be induced, and transverse asymmetry of the gated section, e.g. due to a top-gated structure, which displays an interesting analogy with Rashba nanowires. Due to its rich conductance phenomenology, we propose a 3D TI nanowire with gated section as an ideal setup for a detailed transport-based characterization of 3D TI nanowire surface states near the Dirac point, which could be useful towards realizing 3D TI nanowire-based topological superconductivity and Majorana bound states.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000682173800001 Publication Date 2021-07-20
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 (up) 3.44 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 3.44
Call Number UA @ admin @ c:irua:180487 Serial 6990
Permanent link to this record
 
 
Author van Straaten, M.; Swenters, K.; Gijbels, R.; Verlinden, J.; Adriaenssens, E.
Title Analysis of platinum powder by glow discharge mass spectrometry Type A1 Journal article
Year 1994 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom
Volume 9 Issue Pages 1389-1397
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1994PY14900012 Publication Date 2004-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0267-9477;1364-5544; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 3.466 Times cited 17 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:10253 Serial 103
Permanent link to this record
 
 
Author Held, A.; Taylor, P.; Ingelbrecht, C.; de Bièvre, P.; Broekaert, J.; van Straaten, M.; Gijbels, R.
Title Determination of scandium in high-purity titanium using inductively coupled plasma mass spectrometry and glow discharge mass spectrometry as part of its certification as a reference material Type A1 Journal article
Year 1995 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom
Volume 10 Issue Pages 849-852
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1995TB75500024 Publication Date 2004-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0267-9477;1364-5544; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 3.466 Times cited 6 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:12265 Serial 671
Permanent link to this record
 
 
Author Bogaerts, A.; Gijbels, R.
Title Relative sensitivity factors in glow discharge mass spectrometry: the role of charge transfer ionization Type A1 Journal article
Year 1996 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom
Volume 11 Issue Pages 841-847
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1996VG92800032 Publication Date 2004-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0267-9477;1364-5544; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 3.466 Times cited 38 Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:16243 Serial 2860
Permanent link to this record
 
 
Author Eliaerts, J.; Meert, N.; Van Durme, F.; Samyn, N.; De Wael, K.; Dardenne, P.
Title Practical tool for sampling and fast analysis of large cocaine seizures Type A1 Journal article
Year 2018 Publication Drug testing and analysis Abbreviated Journal Drug Test Anal
Volume 10 Issue 6 Pages 1039-1042
Keywords A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Large quantities of illicit drugs are frequently seized by law enforcement. In such cases, a representative number of samples needs to be quickly examined prior to destruction. No procedure has yet been set up which rapidly provides information regarding the homogeneity of the samples, the presence of controlled substances and the degree of purity. This study establishes a protocol for fast analysis of cocaine and its most common cutting agent, levamisole, in large seizures. The protocol is based on a hypergeometric sampling approach combined with FTIR spectrometry and Support Vector Machines (SVM) algorithms as analysis methods. To demonstrate the practical use of this approach, five large cocaine seizures (consisting between 45 and 85 units) were analysed simultaneously with GC-MS, GC-FID and a portable FTIR spectrometer using Attenuated Total Reflectance (ATR) sampling combined with SVM models. According to the hypergeometric sampling plan of the Drugs Working Group ENFSI guidelines, the required number of subsamples ranged between 19 and 23. Considering the identification analyses, the SVM models detected cocaine and levamisole in all subsamples of cases 1 to 5 (100% correct classification), which was confirmed by GC-MS analysis. Considering the quantification analyses, the SVM models were able to estimate the cocaine and levamisole content in each subsample, compared to GC-FID data. The developed strategy is easy, cost effective and provides immediate information about both the presence and concentration of cocaine and levamisole. By using this new strategy, the number of confirmation analyses with laborious and expensive chromatographic techniques could be significantly reduced.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000435270300016 Publication Date 2018-02-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1942-7603; 1942-7611 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 3.469 Times cited 1 Open Access
Notes ; Belgian Science Policy Office (BELSPO), Grant/Award Number: WE/49/N14-O14 ; Approved Most recent IF: 3.469
Call Number UA @ admin @ c:irua:148760 Serial 5781
Permanent link to this record
 
 
Author Eliaerts, J.; Dardenne, P.; Meert, N.; Van Durme, F.; Samyn, N.; Janssens, K.; De Wael, K.
Title Rapid classification and quantification of cocaine in seized powders with ATR-FTIR and chemometrics Type A1 Journal article
Year 2017 Publication Drug testing and analysis Abbreviated Journal Drug Test Anal
Volume 9 Issue 10 Pages 1480-1489
Keywords A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Traditionally, fast screening for the presence of cocaine in unknown powders is performed by means of colour tests. The major drawbacks of these tests are subjective colour evaluation depending on the operator (50 shades of blue) and a lack of selectivity. An alternative fast screening technique is Fourier Transform InfraRed (FTIR) spectrometry. This technique provides spectra that are difficult to interpret without specialized expertise and showing a lack of sensitivity for the detection of cocaine in mixtures. To overcome these limitations, a portable FTIR spectrometer using Attenuated Total Reflectance (ATR) sampling was combined with a multivariate technique, called Support Vector Machines (SVM). Representative street drug powders (n = 482), seized during the period January 2013 to July 2015, and reference powders (n = 33) were used to build and validate a classification model (n = 515) and a quantification model (n = 378). Both models were compared with the conventional chromatographic techniques. The SVM classification model showed a high sensitivity, specificity and efficiency (99%). The SVM quantification model determined cocaine content with a root mean squared error of prediction (RMSEP) of 6% calculated over a wide working range from 4 to 99 w%. In conclusion, the developed models resulted in a clear output (cocaine detected or cocaine not detected) and a reliable estimation of the cocaine content in a wide variety of mixtures. The ATR-FTIR technique combined with SVM is a straightforward, user-friendly and fast approach for routine classification and quantification of cocaine in seized powders.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000413685200001 Publication Date 2016-12-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1942-7603; 1942-7611 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 3.469 Times cited 9 Open Access
Notes ; ; Approved Most recent IF: 3.469
Call Number UA @ admin @ c:irua:139483 Serial 5799
Permanent link to this record
 
 
Author Schram, J.; Parrilla, M.; Sleegers, N.; Van Durme, F.; van den Berg, J.; van Nuijs, A.L.N.; De Wael, K.
Title Electrochemical profiling and liquid chromatography–mass spectrometry characterization of synthetic cathinones : from methodology to detection in forensic samples Type A1 Journal article
Year 2021 Publication Drug Testing And Analysis Abbreviated Journal Drug Test Anal
Volume 13 Issue 7 Pages 1282-1294
Keywords A1 Journal article; Pharmacology. Therapy; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre
Abstract The emergence of new psychoactive drugs in the market demands rapid and accurate tools for the on‐site classification of illegal and legal compounds with similar structures. Herein, a novel method for the classification of synthetic cathinones (SC) is presented based on their electrochemical profile. First, the electrochemical profile of five common SC (i.e., mephedrone, ethcathinone, methylone, butylone and 4‐chloro‐alpha‐pyrrolidinovalerophenone) is collected to build calibration curves using square wave voltammetry on graphite screen‐printed electrodes (SPE). Second, the elucidation of the oxidation pathways, obtained by liquid chromatography‐high resolution mass spectrometry, allows the pairing of the oxidation products to the SC electrochemical profile, providing a selective and robust classification. Additionally, the effect of common adulterants and illicit drugs on the electrochemical profile of the SC is explored. Interestingly, a cathodic pretreatment of the SPE allows the selective detection of each SC in presence of electroactive adulterants. Finally, the electrochemical approach is validated with gas‐chromatography‐mass spectrometry by analyzing 26 confiscated samples from seizures and illegal webshops. Overall, the electrochemical method exhibits a successful classification of SC including structural derivatives, a crucial attribute in an ever‐diversifying drug market.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000624902500001 Publication Date 2021-02-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1942-7603; 1942-7611 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 3.469 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.469
Call Number UA @ admin @ c:irua:175583 Serial 7863
Permanent link to this record
 
 
Author Nunez Manzano, M.; Gonzalez Quiroga, A.; Perreault, P.; Madanikashani, S.; Vandewalle, L.A.; Marin, G.B.; Heynderickx, G.J.; Van Geem, K.M.
Title Biomass fast pyrolysis in an innovative gas-solid vortex reactor : experimental proof of concept Type A1 Journal article
Year 2021 Publication Journal Of Analytical And Applied Pyrolysis Abbreviated Journal J Anal Appl Pyrol
Volume 156 Issue Pages 105165-12
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Biomass fast pyrolysis has been considered one of the best alternatives for the thermal conversion of biomass into bio-oil. This work introduces a new reactor technology for biomass fast pyrolysis, the Gas-Solid Vortex Reactor (GSVR), to obtain high bio-oil yields. The GSVR was designed to decrease the residence time of the pyrolysis vapors; thus, the secondary cracking reactions are reduced, to enhance the segregation of the char and the unreacted biomass and to improve the heat transfer rate. Biomass fast pyrolysis experiments have been carried out for the first time in a Gas-Solid Vortex Reactor (GSVR) at 773 K, using softwood (pine) and hardwood (poplar) as feedstock. Char yields as low as 10 wt. % in the GSVR were comparable to those reported for the same feedstocks processed in conventional fluidized bed reactors. The yields of non-condensable gases in the range of 15–17 wt. % were significantly lower than those reported for other commonly used biomass fast pyrolysis reactors. Two-dimensional gas chromatography (GC × GC) revealed noticeable differences at the molecular level between the bio-oils from the GSVR and bio-oils from other reactors. The aromatics in the pine bio-oil consist almost entirely (85 wt. %) of guaiacols. For poplar bio-oils no predominant group of aromatics was found, but phenolics, syringols, and catechols were the most pronounced. The experimental results highlight the advantages of the GSVR for biomass pyrolysis, reaching stable operation in around 60 s, removing the formed char selectively during operation, and enabling fast entrainment of pyrolysis vapors. Results indicate a great potential for increasing yield and selectivity towards guaiacols in softwood (e.g., pine) bio-oil. Likewise, decreasing pyrolysis temperature could increase the yield of guaiacols and syringols in hardwood (e.g., poplar) bio-oil.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000663091200002 Publication Date 2021-04-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0165-2370 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 3.471 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.471
Call Number UA @ admin @ c:irua:178743 Serial 7562
Permanent link to this record
 
 
Author Vermeulen, M.; Saverwyns, S.; Coudray, A.; Janssens, K.; Sanyova, J.
Title Identification by Raman spectroscopy of pararealgar as a starting material in the synthesis of amorphous arsenic sulfide pigments Type A1 Journal article
Year 2018 Publication Dyes and pigments Abbreviated Journal Dyes Pigments
Volume 149 Issue 149 Pages 290-297
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract In this study, a combination of elemental analytical techniques (MA-XRF and SEM-EDX) were used to localize arsenic sulfide pigments within a 17th-century Dutch painting and in the stratigraphy of an 18th-century Flemish polychrome sculpture. Once located, Raman spectroscopy was used to obtain the vibrational signature of the arsenic sulfide pigments employed. By means of the latter analytical technique and due to the very distinctive Raman scattering signal of the various arsenic sulfide compounds, it was possible to identify the arsenic-based pigments as natural orpiment and amorphous arsenic sulfide. In the latter case, based on the minor bands observed and the good condition of the paint layers, it was possible to identify pararealgar, the orangey-yellow to yellow degradation product of realgar, as the initial arsenic sulfide material used for the synthesis of the amorphous pigment. To the best of our knowledge, this is the first time that combined pararealgar/amorphous arsenic sulfide Raman spectra are reported in historical samples. Therefore, this would be the first identification of pararealgar as the starting material to produce amorphous, arsenic sulfide pigments used in artworks.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000423246900033 Publication Date 2017-10-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0143-7208 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 3.473 Times cited 7 Open Access
Notes ; This research is made possible with the support of the Belgian Science Policy Office (BELSPO, Brussels) through the research program Science for a Sustainable Development SDD: “Long-term role and fate of metal -sulfides in painted works of art S2ART” (SD/RI/04A). The authors would like to acknowledge the owner of the Abraham Mignon painting, Cecile Glaude for her help with SEM-EDX analyses as well as Livia Depuyt, Carlota Barbosa and Athanasia Fragkou for their assistance. The authors also acknowledge Dr. Karel Palka and Prof. Miroslav Week for their help with the synthesis of the amorphous arsenic sulfide references. ; Approved Most recent IF: 3.473
Call Number UA @ admin @ c:irua:149307 Serial 5648
Permanent link to this record
 
 
Author Alvarez-Martin, A.; Trashin, S.; Cuykx, M.; Covaci, A.; De Wael, K.; Janssens, K.
Title Photodegradation mechanisms and kinetics of Eosin-Y in oxic and anoxic conditions Type A1 Journal article
Year 2017 Publication Dyes and pigments Abbreviated Journal Dyes Pigments
Volume 145 Issue Pages 376-384
Keywords A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre
Abstract Lakes based on Eosin-Y are extensively used by 19th century artists. Unfortunately, the identification of these pigments in paintings is a difficult task because Eosin-Y degrades very fast under the influence of light. The characterization of the (photo)degradation products of Eosin-Y can be very useful for the identification of these pigments in historic works of art and related cultural heritage artifacts. Furthermore, knowledge on how different factors influence the discoloration process (e.g. different types of irradiation sources and presence/absence of oxygen) is a valuable tool for preventive conservation. To this aim we performed a study on the photodegradation of Eosin-Y in solution under different illumination and in both oxic and anoxic conditions. The photodegradation of Eosin-Y was monitored by UV-VIS spectrophotometry, LC-QTOFMS and electrochemistry techniques. Results indicated higher degradation rates, by a factor of 20 or higher, under illumination with wavelengths near to the main absorbance band of the red pigment. Two different degradation pathways are observed under the conditions studied. LC-QTOFMS and electrochemistry suggested that in the presence of oxygen the degradation mechanism is an oxidative process where the breakdown of the structure causes the total discoloration. Meanwhile under anoxic conditions, a debromination process takes place while the chromophore, and consequently the color of the molecule in solution, remains essentially intact.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000405972900046 Publication Date 2017-06-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0143-7208 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 3.473 Times cited 18 Open Access
Notes ; ; Approved Most recent IF: 3.473
Call Number UA @ admin @ c:irua:144385 Serial 5770
Permanent link to this record
 
 
Author Anaf, W.; Schalm, O.; Janssens, K.; De Wael, K.
Title Understanding the (in)stability of semiconductor pigments by a thermodynamic approach Type A1 Journal article
Year 2015 Publication Dyes and pigments Abbreviated Journal Dyes Pigments
Volume 113 Issue Pages 409-415
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)
Abstract Several artists pigments are semiconductors. Some of these materials appear stable over time, whereas others already show remarkable signs of degradation after limited time periods. The (in)stability of these pigments can be understood using a thermodynamic approach. For several pigment-related materials, the thermodynamic oxidation and reduction potential (ϕox and ϕred) were determined and evaluated considering the absolute energy positions of the valence and conduction band edges and the water redox potentials. The positions of ϕox and ϕred can be used in a fast screening of the stability of semiconductor pigments towards photoinduced corrosion in an aqueous/humid environment. This theoretical approach corresponds well with experimental data on pigment permanence and degradation phenomena found in literature.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000346543200052 Publication Date 2014-09-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0143-7208 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 3.473 Times cited 14 Open Access
Notes ; The authors acknowledge the funding from the Belspo S2-ART project (Belgian Federal Government) SD/RI/04A. ; Approved Most recent IF: 3.473; 2015 IF: 3.966
Call Number UA @ admin @ c:irua:118875 Serial 5885
Permanent link to this record
 
 
Author Beltran, V.; Marchetti, A.; De Meyer, S.; Nuyts, G.; De Wael, K.
Title Geranium lake pigments : the role of the synthesis on the structure and composition Type A1 Journal article
Year 2021 Publication Dyes And Pigments Abbreviated Journal Dyes Pigments
Volume 189 Issue Pages 109260
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Eosin Y has an extraordinary capacity to form complexes with metallic elements, that have applications in many different fields, from photovoltaics and photocatalysis to historical artists? pigments. To unravel the complexes reactivity, it is essential to have a precise knowledge of their structure and composition, as well as how these can be affected by the synthesis protocol, an often underestimated factor. This manuscript presents a thorough investigation of the structure and composition of eosin Y complexes based on Al and Pb, by FTIR, XRPD and Raman spectroscopy, with a particular focus on the effect of the synthesis conditions. Results clearly show the change of the coordination mode in Pb complexes depending on the protocol, while the structure of Al complexes remains stable. In both cases, the formation of by-products was observed. Additionally, a detailed band assignment of the FTIR and Raman spectra of eosin Y and Pb and Al complexes is described, providing interesting details such as the interaction between the metallic ion and the xanthene moiety (chromophore). This is extremely important for the analysis of historical paintings where eosin Y is bonded to metallic ions, as well as for other materials in dye-sensitized solar cells, wastewater treatment or photocatalysis.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000634733200001 Publication Date 2021-03-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0143-7208 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 3.473 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.473
Call Number UA @ admin @ c:irua:177676 Serial 8002
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Author Barreca, D.; Gasparotto, A.; Lebedev, O.I.; Maccato, C.; Pozza, A.; Tondello, E.; Turner, S.; Van Tendeloo, G.
Title Controlled vapor-phase synthesis of cobalt oxide nanomaterials with tuned composition and spatial organization Type A1 Journal article
Year 2010 Publication CrystEngComm Abbreviated Journal Crystengcomm
Volume 12 Issue 7 Pages 2185-2197
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000279627700040 Publication Date 2010-03-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1466-8033; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 3.474 Times cited 85 Open Access
Notes Approved Most recent IF: 3.474; 2010 IF: 4.006
Call Number UA @ lucian @ c:irua:83686 Serial 503
Permanent link to this record
 
 
Author Eckert, M.; Neyts, E.; Bogaerts, A.
Title Modeling adatom surface processes during crystal growth: a new implementation of the Metropolis Monte Carlo algorithm Type A1 Journal article
Year 2009 Publication CrystEngComm Abbreviated Journal Crystengcomm
Volume 11 Issue 8 Pages 1597-1608
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this paper, a new implementation of the Metropolis Monte Carlo (MMC) algorithm is presented. When combining the MMC model with a molecular dynamics (MD) code, crystal growth by plasma-enhanced chemical vapor deposition can be simulated. As the MD part simulates impacts of growth species onto the surface on a time scale of picoseconds, the MMC algorithm simulates the slower adatom surface processes. The implementation includes a criterion for the selection of atoms that are allowed to be displaced during the simulation, and a criterion of after how many MMC cycles the simulation is stopped. We performed combined MD-MMC simulations for hydrocarbon species that are important for the growth of ultrananocrystalline diamond (UNCD) films at partially hydrogenated diamond surfaces, since this implementation is part of a study of the growth mechanisms of (ultra)nanocrystalline diamond films. Exemplary for adatom arrangements during the growth of UNCD, the adatom surface behavior of C and C2H2 at diamond (111)1 × 1, C and C4H2 at diamond (111)1 × 1 and C3 at diamond (100)2 × 1 has been investigated. For all cases, the diamond crystal structure is pursued under the influence of MMC simulation. Additional longer time-scale MD simulations put forward very similar structures, verifying the MMC algorithm. Nevertheless, the MMC simulation time is typically one order of magnitude shorter than the MD simulation time.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000268184300021 Publication Date 2009-04-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1466-8033; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 3.474 Times cited 15 Open Access
Notes Approved Most recent IF: 3.474; 2009 IF: 4.183
Call Number UA @ lucian @ c:irua:77374 Serial 2106
Permanent link to this record
 
 
Author Barreca, D.; Carraro, G.; Warwick, M.E.A.; Kaunisto, K.; Gasparotto, A.; Gombac, V.; Sada, C.; Turner, S.; Van Tendeloo, G.; Maccato, C.; Fornasiero, P.;
Title Fe2O3-TiO2 nanosystems by a hybrid PE-CVD/ALD approach : controllable synthesis, growth mechanism, and photocatalytic properties Type A1 Journal article
Year 2015 Publication CrystEngComm Abbreviated Journal Crystengcomm
Volume 17 Issue 17 Pages 6219-6226
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Supported Fe2O3–TiO2 nanocomposites are fabricated by an original vapor phase synthetic strategy, consisting of the initial growth of Fe2O3 nanosystems on fluorine-doped tin oxide substrates by plasma enhanced-chemical vapor deposition, followed by atomic layer deposition of TiO2 overlayers with variable thickness, and final thermal treatment in air. A thorough characterization of the target systems is carried out by X-ray diffraction, atomic force microscopy, field emission-scanning electron microscopy, energy dispersive X-ray spectroscopy, transmission electron microscopy, and X-ray photoelectron spectroscopy. High purity nanomaterials characterized by the co-presence of Fe2O3 (hematite) and TiO2 (anatase), with an intimate Fe2O3–TiO2 contact, are successfully obtained. In addition, photocatalytic tests demonstrate that, whereas both single-phase oxides do not show appreciable activity, the composite systems are able to degrade methyl orange aqueous solutions under simulated solar light, and even visible light, with an efficiency directly dependent on TiO2 overlayer thickness. This finding opens attractive perspectives for eventual applications in wastewater treatment.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000358915300018 Publication Date 2015-07-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1466-8033; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 3.474 Times cited 25 Open Access
Notes The research leading to these results has received funding from the FP7 project “SOLAROGENIX” IJNMP4-SL-2012- 310333), as well as from Padova University ex-60% 2012–2015 projects, grant no. CPDR132937/13 (SOLLEONE), and Regione Lombardia-INSTM ATLANTE projects. S. T. acknowledges the FWO Flanders for a post-doctoral scholarship. Thanks are also due to Prof. S. Mathur and Dr. Y. Gönüllü (Department of Chemistry, Cologne University, Germany) for their precious help and assistance in ALD depositions, and to Prof. E. Bontempi (Chemistry for Technologies Laboratory, Brescia University, Italy) for XRD analyses. Approved Most recent IF: 3.474; 2015 IF: 4.034
Call Number c:irua:127237 Serial 3531
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Author Mourdikoudis, S.; Altantzis, T.; Liz-Marzan, L.M.; Bals, S.; Pastoriza-Santos, I.; Perez-Juste, J.
Title Hydrophilic Pt nanoflowers: synthesis, crystallographic analysis and catalytic performance Type A1 Journal article
Year 2016 Publication CrystEngComm Abbreviated Journal Crystengcomm
Volume 18 Issue 18 Pages 3422-3427
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Water-soluble Pt nanoflowers (NFs) were prepared by a diethylene glycol-mediated reduction of Pt acetylacetonate

(Pt(acac)2) in the presence of polyethyleneimine. Advanced electron microscopy analysis showed that NFs consist of

multiple branches with truncated cubic morphology and different crystallographic orientations. We demonstrate that the

nature of the solvent strongly influences the resulting morphology. The catalytic performance of Pt NFs in 4–nitrophenol

reduction was found to be superior to that of other nanoparticle-based catalysts. Additionally, Pt NFs display good

catalytic reusability with no loss of activity after five consecutive cycles.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000375697800012 Publication Date 2016-04-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1466-8033 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 3.474 Times cited 30 Open Access OpenAccess
Notes The authors would like to thank J. Millos for the XRD experiments and R. Lomba for ICP-OES elemental analysis measurements at the CACTI institute in Vigo. S. Rodal-Cedeira is acknowledged for the FTIR measurement. This research project was implemented within the framework of the Action «Supporting Postdoctoral Researchers» of the Operational Program “Education and Lifelong Learning” (Action’s Beneficiary: General Secretariat for Research and Technology of Greece) and is co-financed by the European Social Fund (ESF) and the Greek State [project code PE4(1546)]. This work has been also supported by the Spanish MINECO (grant MAT2013-45168-R) and by the Xunta de Galicia/FEDER (Grant No. GPC2013-006; INBIOMED/FEDER “Unha maneira de facer Europa”). S.B. acknowledges funding from the European Research Council under the Seventh Framework Program (FP7), ERC Grant No. 335078 COLOURATOMS.; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 3.474
Call Number c:irua:133670 Serial 4067
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Author Morozov, V.A.; Posokhova, S.M.; Deyneko, D., V; Savina, A.A.; Morozov, A., V; Tyablikov, O.A.; Redkin, B.S.; Spassky, D.A.; Hadermann, J.; Lazoryak, B., I
Title Influence of annealing conditions on the structure and luminescence properties of KGd1-xEux(MoO4)2(0\leq x\leq1) Type A1 Journal article
Year 2019 Publication CrystEngComm Abbreviated Journal Crystengcomm
Volume 21 Issue 42 Pages 6460-6471
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract This study describes the influence of annealing temperature on the structure and luminescence properties of KGd1-xEux(MoO4)(2) (0 <= x <= 1). Compounds with the general formula (A ', A '')(n)[(W, Mo)O-4](m) are investigated as luminescent materials for photonic applications such as phosphor-converted LEDs (light-emitting diodes). Herein, the KGd0.8Eu0.2(MoO4)(2) light-rose crystal was grown by the Czochralski technique. Moreover, three polymorphs of KGd1-xEux(MoO4)(2) were present in the 923-1223 K range of annealing temperatures under ambient pressure: a triclinic alpha-phase, a disproportionately modulated monoclinic beta-phase and an orthorhombic gamma-phase with a KY(MoO4)(2)-type structure. The different behaviors of KGd(MoO4)(2) and KEu(MoO4)(2) were revealed by DSC studies. The number and the character of phase transitions for KGd1-xEux(MoO4)(2) depended on the elemental composition. The formation of a continuous range of solid solutions with the triclinic alpha-KEu(MoO4)(2)-type structure and ordering of K+ and Eu3+/Gd3+ cations were observed only for alpha-KGd1-xEux(MoO4)(2) (0 <= x <= 1) prepared at 923 K. The structures of gamma-KGd1-xEux(MoO4)(2) (x = 0 and 0.2) were studied using electron diffraction and refined using the powder X-ray diffraction data. The luminescence properties of KGd1-xEux(MoO4)(2) prepared at different annealing temperatures were studied and related to their different structures. The maxima of the D-5(0) -> F-7(2) integral emission intensities were found under excitation at lambda(ex) = 300 nm and lambda(ex) = 395 nm for triclinic scheelite-type alpha-KGd0.6Eu0.4(MoO4)(2) and monoclinic scheelite-type beta-KGd0.4Eu0.6(MoO4)(2) prepared at 1173 K, respectively. The latter shows the brightest red light emission among the KGd1-xEux(MoO4)(2) phosphors. The maximum and integral emission intensity of beta-KGd0.4Eu0.6(MoO4)(2) in the D-5(0) -> F-7(2) transition region is similar to 20% higher than that of the commercially used red phosphor Gd2O2S:Eu3+. Thus, beta-KGd0.4Eu0.6(MoO4)(2) is very attractive for application as a near-UV convertible red-emitting phosphor for LEDs.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000493072200015 Publication Date 2019-09-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1466-8033 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 3.474 Times cited Open Access
Notes Approved Most recent IF: 3.474
Call Number UA @ admin @ c:irua:164603 Serial 6304
Permanent link to this record
 
 
Author Annys, S.; Adgo, E.; Ghebreyohannes, T.; Van Passel, S.; Dessein, J.; Nyssen, J.
Title Impacts of the hydropower-controlled Tana-Beles interbasin water transfer on downstream rural livelihoods (northwest Ethiopia) Type A1 Journal article
Year 2019 Publication Journal Of Hydrology Abbreviated Journal J Hydrol
Volume 569 Issue 569 Pages 436-448
Keywords A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
Abstract Despite public awareness of unintended impacts (1980s) and well-developed international standards (2000s), downstream impacts of large hydropower projects still very often are not properly assessed. Impacts of (hydropower-regulated) interbasin water transfers (IBWTs) are considered self-evidently positive, although they can have far-reaching consequences for hydrogeomorphological systems and consequently river-dependent communities. In this study, the downstream direct and indirect impacts of the Ethiopian hydropower-regulated Tana-Beles IBWT are evaluated in an interdisciplinary way. The components of the framework of rural livelihoods are considered and changing contexts, resources availabilities and livelihood strategies are analysed. Mixed methods are applied, combining hydrogeomorphological field observations, GIS analyses, scientific literature, policy documents, and semi-structured interviews with local people and local to federal authorities. Results show that the IBWT drastically increased the Beles rivers discharge (with an average release of +92 m3 s−1 at the outlet; *2 in rainy season and *12 in dry season 100 km downstream of the water release) and introduced dangerous situations for local communities (over 250 people drowned in the river). River bank erosion resulted in the uncompensated loss of farmland (163 ha) and the establishment of large-scale commercial farms increased the pressure on land and led to the impoverishment of displaced communities (4310 households). The project was implemented top-down, without any transparency, benefit sharing or compensation for external costs. This stresses the importance of downstream interdisciplinary impact assessments and highlights the need for decent in-depth ex post-analyses of hydropower projects. Environmental impact assessments should be taken seriously and cannot be considered a formality. In Ethiopia and in many developing countries, the hydropower industry is booming. Although dams and IBWTs can be the best solution for water-related problems in specific contexts, national development goals (such as the expansion of the electricity network) should not be at the expense of rural livelihoods.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000457952900032 Publication Date 2018-12-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-1694 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 3.483 Times cited 2 Open Access
Notes ; This study was funded by the Flemish Research Foundation (FWO, Belgium), through project No. G022217N and a specific travel grant for a long stay abroad (No. V445417N). We acknowledge the cooperation with the Bahir Dar University VLIR-UOS IUC programme. All support given by Bahir Dar University has been greatly appreciated and many thanks go to Yonnas Shawul and Deribew Fenetie, for assisting and translating in the field. Staff of various ranks in administrative offices are thanked for their cooperation and mostly openness during interviews. Special thanks go to the local farmers and other rural dwellers, for their cooperation and contribution to this research. We thank the two anonymous reviewers for their constructive comments. ; Approved Most recent IF: 3.483
Call Number UA @ admin @ c:irua:156935 Serial 6215
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Author Vanschoenwinkel, J.; Van Passel, S.
Title Climate response of rainfed versus irrigated farms: the bias of farm heterogeneity in irrigation Type A1 Journal article
Year 2018 Publication Climatic Change Abbreviated Journal Climatic Change
Volume 147 Issue 1-2 Pages 225-234
Keywords A1 Journal article; Engineering Management (ENM)
Abstract Researchers who do not take into account farm heterogeneity in implementing specific climate change adaptation options might significantly bias their findings. To prove this point, this paper focusses on irrigation as an adaptation option to climate change and highlights the fact that there is no such thing as “irrigation.” Instead, different farms consider water management options across a spectrum that ranges from purely rainfed farms to purely irrigated farms with in between the extreme practices such as supplemental irrigation, water conservation practices, and different irrigation techniques. Accounting for such differences is necessary, yet difficult due to a lack of farm-specific data on water management and irrigation. This paper uses unique Farm Accountancy Data Network data of Western European farmers on the proportion of farmland that each farm irrigates. Unlike previous work, this allows taking into account some within-irrigation heterogeneity instead of simply categorizing farms as being “irrigated.” We estimate and compare climate response models based on the Ricardian cross-sectional method for a large range of irrigation categories. The results give insights into how the farm irrigation climate response can be significantly different depending on how irrigation is defined. This proves that ignoring within-adaptation differences when comparing non-adaptation with adaptation (in this case, rainfed versus irrigated agriculture) might lead to biased conclusions with regard to effectiveness of adaptation strategies. We therefore argue that it might be more relevant to understand at which point and under which circumstances irrigated agriculture is more or less beneficial than rainfed agriculture.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000425959700017 Publication Date 2018-01-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0165-0009 ISBN Additional Links UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
Impact Factor (up) 3.496 Times cited 1 Open Access
Notes ; This paper was supported by the Horizon 2020 project SUFISA (Grant Agreement No. 635577). ; Approved Most recent IF: 3.496
Call Number UA @ admin @ c:irua:149895 Serial 6166
Permanent link to this record
 
 
Author Duan, J.; Ma, M.; Yusupov, M.; Cordeiro, R.M.; Lu, X.; Bogaerts, A.
Title The penetration of reactive oxygen and nitrogen species across the stratum corneum Type A1 Journal article
Year 2020 Publication Plasma Processes And Polymers Abbreviated Journal Plasma Process Polym
Volume Issue Pages
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The penetration of reactive oxygen and nitrogen species (RONS) across the stratum corneum (SC) is a necessary and crucial process in many skin‐related plasma medical applications. To gain more insights into this penetration behavior, we combined experimental measurements of the permeability of dry and moist SC layers with computer simulations of model lipid membranes. We measured the permeation of relatively stable molecules, which are typically generated by plasma, namely H2O2, NO3−, and NO2−. Furthermore, we calculated the permeation free energy profiles of the major plasma‐generated RONS and their derivatives (i.e., H2O2, OH, HO2, O2, O3, NO, NO2, N2O4, HNO2, HNO3, NO2−, and NO3−) across native and oxidized SC lipid bilayers, to understand the mechanisms of RONS permeation across the SC. Our results indicate that hydrophobic RONS (i.e., NO, NO2, O2, O3, and N2O4) can translocate more easily across the SC lipid bilayer than hydrophilic RONS (i.e., H2O2, OH, HO2, HNO2, and HNO3) and ions (i.e., NO2− and NO3−) that experience much higher permeation barriers. The permeability of RONS through the SC skin lipids is enhanced when the skin is moist and the lipids are oxidized. These findings may help to understand the underlying mechanisms of plasma interaction with a biomaterial and to optimize the environmental parameters in practice in plasma medical applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000536892900001 Publication Date 2020-06-02
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 (up) 3.5 Times cited Open Access
Notes National Natural Science Foundation of China, 51625701 51977096 ; Fonds Wetenschappelijk Onderzoek, 1200219N ; China Scholarship Council, 201806160128 ; M. Y. acknowledges the Research Foundation Flanders (FWO) for financial support (Grant No. 1200219N). This study was partially supported by the National Natural Science Foundation of China (Grant No: 51625701 and 51977096) and the China Scholarship Council (Grant No: 201806160128). All computational work was performed using the Turing HPC infrastructure at the CalcUA Core Facility of the University of Antwerp (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the UA. Approved Most recent IF: 3.5; 2020 IF: 2.846
Call Number PLASMANT @ plasmant @c:irua:169709 Serial 6372
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Author Joao, S.M.; Andelkovic, M.; Covaci, L.; Rappoport, T.G.; Lopes, J.M.V.P.; Ferreira, A.
Title KITE : high-performance accurate modelling of electronic structure and response functions of large molecules, disordered crystals and heterostructures Type A1 Journal article
Year 2020 Publication Royal Society Open Science Abbreviated Journal Roy Soc Open Sci
Volume 7 Issue 2 Pages 191809-191832
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract We present KITE, a general purpose open-source tight-binding software for accurate real-space simulations of electronic structure and quantum transport properties of large-scale molecular and condensed systems with tens of billions of atomic orbitals (N similar to 10(10)). KITE's core is written in C++, with a versatile Python-based interface, and is fully optimized for shared memory multi-node CPU architectures, thus scalable, efficient and fast. At the core of KITE is a seamless spectral expansion of lattice Green's functions, which enables large-scale calculations of generic target functions with uniform convergence and fine control over energy resolution. Several functionalities are demonstrated, ranging from simulations of local density of states and photo-emission spectroscopy of disordered materials to large-scale computations of optical conductivity tensors and real-space wave-packet propagation in the presence of magneto-static fields and spin-orbit coupling. On-the-fly calculations of real-space Green's functions are carried out with an efficient domain decomposition technique, allowing KITE to achieve nearly ideal linear scaling in its multi-threading performance. Crystalline defects and disorder, including vacancies, adsorbates and charged impurity centres, can be easily set up with KITE's intuitive interface, paving the way to user-friendly large-scale quantum simulations of equilibrium and non-equilibrium properties of molecules, disordered crystals and heterostructures subject to a variety of perturbations and external conditions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000518020200001 Publication Date 2020-02-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2054-5703 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 3.5 Times cited 19 Open Access OpenAccess
Notes ; T.G.R. and A.F. acknowledge support from the Newton Fund and the Royal Society through the Newton Advanced Fellowship scheme (ref. no. NA150043). M.A. and L.C. acknowledge support from the Trans2DTMD FlagEra project and the VSC (Flemish Supercomputer Center). A.F. acknowledges support from the Royal Society through a University Research Fellowship (ref. nos. UF130385 and URF-R-191021) and an Enhancement Award (ref. no. RGF-EA-180276). T.G.R. acknowledges the support from the Brazilian agencies CNPq and FAPERJ and COMPETE2020, PORTUGAL2020, FEDER and the Portuguese Foundation for Science and Technology (FCT) through project POCI-01-0145-FEDER-028114. S.M.J. is supported by Fundacao para a Ciencia e Tecnologia (FCT) under the grant no. PD/BD/142798/ 2018. S.M.J. and J.M.V.P.L. acknowledge financial support from the FCT, COMPETE 2020 programme in FEDER component (European Union), through projects POCI-01-0145-FEDER028887 and UID/FIS/04650/2013. S.M.J. and J.M.V.P.L. further acknowledge financial support from FCT through national funds, co-financed by COMPETE-FEDER (grant no. M-ERANET2/0002/2016 -UltraGraf) under the Partnership Agreement PT2020. ; Approved Most recent IF: 3.5; 2020 IF: 2.243
Call Number UA @ admin @ c:irua:167751 Serial 6556
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Author Mehta, A.N.; Gauquelin, N.; Nord, M.; Orekhov, A.; Bender, H.; Cerbu, D.; Verbeeck, J.; Vandervorst, W.
Title Unravelling stacking order in epitaxial bilayer MX₂ using 4D-STEM with unsupervised learning Type A1 Journal article
Year 2020 Publication Nanotechnology Abbreviated Journal Nanotechnology
Volume 31 Issue 44 Pages 445702
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Following an extensive investigation of various monolayer transition metal dichalcogenides (MX2), research interest has expanded to include multilayer systems. In bilayer MX2, the stacking order strongly impacts the local band structure as it dictates the local confinement and symmetry. Determination of stacking order in multilayer MX(2)domains usually relies on prior knowledge of in-plane orientations of constituent layers. This is only feasible in case of growth resulting in well-defined triangular domains and not useful in-case of closed layers with hexagonal or irregularly shaped islands. Stacking order can be discerned in the reciprocal space by measuring changes in diffraction peak intensities. Advances in detector technology allow fast acquisition of high-quality four-dimensional datasets which can later be processed to extract useful information such as thickness, orientation, twist and strain. Here, we use 4D scanning transmission electron microscopy combined with multislice diffraction simulations to unravel stacking order in epitaxially grown bilayer MoS2. Machine learning based data segmentation is employed to obtain useful statistics on grain orientation of monolayer and stacking in bilayer MoS2.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000561424400001 Publication Date 2020-07-14
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 (up) 3.5 Times cited 13 Open Access OpenAccess
Notes ; J.V. acknowledges funding from FLAG-ERA JTC2017 project 'Graph-Eye'. N.G. acknowledges funding from GOA project 'Solarpaint' of the University of Antwerp. This project has received funding from the European Union's Horizon 2020 research and innovation programme under Grant Agreement No. 823717-ESTEEM3. 4D STEM data was acquired on a hybrid pixel detector funded with a Hercules fund 'Direct electron detector for soft matter TEM' from the Flemish Government. M. N. acknowledges funding from a Marie Curie Fellowship agreement No 838001. We thank Dr Jiongjiong Mo and Dr Benjamin Groven for developing the CVD-MoS<INF>2</INF> growth on sapphire and providing the material used in this article. ; Approved Most recent IF: 3.5; 2020 IF: 3.44
Call Number UA @ admin @ c:irua:171119 Serial 6649
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Author Yusupov, M.; Dewaele, D.; Attri, P.; Khalilov, U.; Sobott, F.; Bogaerts, A.
Title Molecular understanding of the possible mechanisms of oligosaccharide oxidation by cold plasma Type A1 Journal article
Year 2022 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
Volume Issue Pages
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Cold atmospheric plasma (CAP) is a promising technology for several medical applications, including the removal of biofilms from surfaces. However, the molecular mechanisms of CAP treatment are still poorly understood. Here we unravel the possible mechanisms of CAP‐induced oxidation of oligosaccharides, employing reactive molecular dynamics simulations based on the density functional‐tight binding potential. Specifically, we find that the interaction of oxygen atoms (used as CAP‐generated reactive species) with cellotriose (a model system for the oligosaccharides) can break structurally important glycosidic bonds, which subsequently leads to the disruption of the oligosaccharide molecule. The overall results help to shed light on our experimental evidence for cellotriose CAP. This oxidation by study provides atomic‐level insight into the onset of plasma‐induced removal of biofilms, as oligosaccharides are one of the main components of biofilm.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000865844800001 Publication Date 2022-10-11
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 (up) 3.5 Times cited Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek, 1200219N ; They also acknowledge the Turing HPC infrastructure at the CalcUA core facility of the University of Antwerp (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the UA, where all computational work was performed. This study was financially supported by the Research Foundation–Flanders (FWO) (grant number 1200219N). Approved Most recent IF: 3.5
Call Number PLASMANT @ plasmant @c:irua:191404 Serial 7113
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Author Lin, A.; Biscop, E.; Gorbanev, Y.; Smits, E.; Bogaerts, A.
Title Toward defining plasma treatment dose : the role of plasma treatment energy of pulsed‐dielectric barrier discharge in dictating in vitro biological responses Type A1 Journal article
Year 2022 Publication Plasma Processes And Polymers Abbreviated Journal Plasma Process Polym
Volume 19 Issue 3 Pages e2100151
Keywords A1 Journal article; Pharmacology. Therapy; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The energy dependence of a pulsed-dielectric barrier discharge (DBD) plasma treatment on chemical species production and biological responses was investigated. We hypothesized that the total plasma energy delivered during treatment encompasses the influence of major application parameters. A microsecond-pulsed DBD system was used to treat three different cancer cell lines and cell viability was analyzed. The energy per pulse was measured and the total plasma treatment energy was controlled by adjusting the pulse frequency, treatment time, and application distance. Our data suggest that the delivered plasma energy plays a predominant role in stimulating a biological response in vitro. This study aids in developing steps toward defining a plasma treatment unit and treatment dose for biomedical and clinical research.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000711907800001 Publication Date 2021-10-28
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 (up) 3.5 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.5
Call Number UA @ admin @ c:irua:182916 Serial 7219
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Author Miranda, L.P.; da Costa, D.R.; Peeters, F.M.; Costa Filho, R.N.
Title Vacancy clustering effect on the electronic and transport properties of bilayer graphene nanoribbons Type A1 Journal article
Year 2023 Publication Nanotechnology Abbreviated Journal
Volume 34 Issue 5 Pages 055706-55710
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Experimental realizations of two-dimensional materials are hardly free of structural defects such as e.g. vacancies, which, in turn, modify drastically its pristine physical defect-free properties. In this work, we explore effects due to point defect clustering on the electronic and transport properties of bilayer graphene nanoribbons, for AA and AB stacking and zigzag and armchair boundaries, by means of the tight-binding approach and scattering matrix formalism. Evident vacancy concentration signatures exhibiting a maximum amplitude and an universality regardless of the system size, stacking and boundary types, in the density of states around the zero-energy level are observed. Our results are explained via the coalescence analysis of the strong sizeable vacancy clustering effect in the system and the breaking of the inversion symmetry at high vacancy densities, demonstrating a similar density of states for two equivalent degrees of concentration disorder, below and above the maximum value.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000886630000001 Publication Date 2022-11-02
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 (up) 3.5 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.5; 2023 IF: 3.44
Call Number UA @ admin @ c:irua:192030 Serial 7350
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