“Agricultural land conversion : reviewing drought impacts and coping strategies”. Azadi H, Keramati P, Taheri F, Rafiaani P, Teklemariam D, Gebrehiwot K, Hosseininia G, Van Passel S, Lebailly P, Witlox F, International Journal Of Disaster Risk Reduction 31, 184 (2018). http://doi.org/10.1016/J.IJDRR.2018.05.003
Abstract: This paper aims to review the impacts of drought on agricultural land conversion (ALC) on the one hand and the impacts of ALC on intensifying drought on the other. The paper further investigates coping strategies at three levels; i.e., micro (local), meso (national), and macro (international), in order to mitigate drought impacts that are classified as economic, social, and environmental. This paper shows that ALC, drought and coping strategies are in a reciprocal relationship and can have either a positive or negative influence on each other. The paper concludes that the complex and multidimensional nature of drought requires the development of an integrated approach that focuses on the governments collaboration with different stakeholders. Such an integrated approach can improve drought risk management implementations, decrease vulnerability and construct resilience and coping capacity at all levels in order to deal with droughts.
Keywords: A1 Journal article; Economics; Engineering Management (ENM); Government and Law
Impact Factor: 1.603
Times cited: 7
DOI: 10.1016/J.IJDRR.2018.05.003
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“Assessing the sustainability of community forest management : a case study from Iran”. Jafari A, Kaji HS, Azadi H, Gebrehiwot K, Aghamir F, Van Passel S, Forest Policy And Economics 96, 1 (2018). http://doi.org/10.1016/J.FORPOL.2018.08.001
Abstract: The development of sustainability criteria and indicators is necessary to assess the current management and to recognize appropriate management approaches towards sustainable forest management (SFM). The aim of this study is to assess the sustainability of current management in the Dopolan community forest and assess alternative management scenarios towards SFM. To this end, we applied multi criteria analysis which consists of three steps: a) developing a primary set of criteria and indicators (C&Is) on focus groups discussions, b) finalizing and weighing the set of C&Is, applying a pair wise comparison as well as ranking method, and c) assessing the current forest management regimes and alternative scenarios against a set of C&Is. As a result, 8 criteria and 40 indicators were selected. Our results indicated that to achieve SFM, the criteria including forest protection against natural and human factors, the establishment of appropriate legal and institutional requirements and socioeconomic functions of forests, are the most important criteria (weighted 14.60%, 14.28% and 13.96%, respectively). Assessing the current management regimes revealed that the criteria consisting of biodiversity conservation and local communities' awareness have the maximum distance to SFM (weighted 7.75% and 9.18%, respectively). Among the alternative forest management scenarios, the sixth scenario namely conservation and rehabilitation, local investment attraction in forest conservation and rehabilitation, enabling and capacity building of forest inhabitants were realized as the best scenarios (weighted 26.20%) to achieve SFM. A joint effort of the concerned government forestry officials and local people is needed to enhance the sustainability of all community based forestry models.
Keywords: A1 Journal article; Economics; Engineering Management (ENM)
Impact Factor: 1.982
Times cited: 4
DOI: 10.1016/J.FORPOL.2018.08.001
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“Nanostructured nitrogen doped diamond for the detection of toxic metal ions”. Deshmukh S, Sankaran KJ, Korneychuk S, Verbeeck J, Mclaughlin J, Haenen K, Roy SS, Electrochimica acta 283, 1871 (2018). http://doi.org/10.1016/J.ELECTACTA.2018.07.067
Abstract: This work demonstrates the applicability of one-dimensional nitrogen-doped diamond nanorods (N-DNRs) for the simultaneous electrochemical (EC) detection of Pb2+ and Cd2+ ions in an electrolyte solution. Well separated voltammetric peaks are observed for Pb2+ and Cd2+ ions using N-DNRs as a working electrode in square wave anodic stripping voltammetry measurements. Moreover, the cyclic voltammetry response of N-DNR electrodes towards the Fe(CN)(6)(/4-)/Fe(CN)(6)(/3-) redox reaction is better as compared to undoped DNR electrodes. This enhancement of EC performance in N-DNR electrodes is accounted by the increased amount of sp(2) bonded nanographitic phases, enhancing the electrical conductivity at the grain boundary (GB) regions. These findings are supported by transmission electron microscopy and electron energy loss spectroscopy studies. Consequently, the GB defect induced N-DNRs exhibit better adsorption of metal ions, which makes such samples promising candidates for next generation EC sensing devices. (C) 2018 Elsevier Ltd. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.798
Times cited: 22
DOI: 10.1016/J.ELECTACTA.2018.07.067
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“Influence of stress aging process on variants of nano-N4Ti3precipitates and martensitic transformation temperatures in NiTi shape memory alloy”. Radi A, Khalil-Allafi J, Etminanfar MR, Pourbabak S, Schryvers D, Amin-Ahmadi B, Materials &, design 262, 74 (2018). http://doi.org/10.1016/J.ELECTACTA.2018.01.024
Abstract: In this study, the effect of a stress aging process on the microstructure and martensitic phase transformation of NiTi shape memory alloy has been investigated. NiTi samples were aged at 450 degrees C for 1 h and 5 h under different levels of external tensile stress of 15, 60 and 150 MPa. Transmission electron microscopy (TEM) was used to characterize different variants and morphology of precipitates. The results show that application of all stress levels restricts the formation of precipitates variants in the microstructure after I h stress aging process. However, all variants can be detected by prolonging aging time to 5 h at 15 MPa stress level and the variants formation is again restricted by increasing the stress level. Moreover, the stress aging process resulted in changing the shape of precipitates in comparison with that of the stress-free aged samples. Coffee-bean shaped morphologies were detected for precipitates in all stress levels. According to the Differential Scanning Calorimetry (DSC) results, the martensite start temperature (M-s) on cooling shifts to higher temperatures with increasing the tensile stress during the aging process. This can be related to the change ofaustenite to martensite interface energy due to the different volume fractions and variants of precipitates. (c) 2018 Elsevier Ltd. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.364
DOI: 10.1016/J.ELECTACTA.2018.01.024
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“Impedimetric sensing of the immuno-enzymatic reaction of gliadin with a collagen-modified electrode”. Bottari F, Moretto LM, Ugo P, Electrochemistry communications 97, 51 (2018). http://doi.org/10.1016/J.ELECOM.2018.10.011
Abstract: This paper presents a previously unexplored biosensing strategy for detecting gliadin which exploits the crosslinking of gliadin with collagen, catalyzed by transglutaminase at the interfacial electron transfer rate, on a modified electrode. The process is monitored by electrochemical impedance spectroscopy using a glassy carbon electrode coated with a collagen layer. To validate the specificity of the response as well as to eliminate possible interferences from other proteins, such as soy protein or casein, the captured gliadin is further reacted with a specific anti-gliadin antibody. Changes in charge transfer resistance, measured from the Nyquist plots, scale linearly with the gliadin concentration in the range 5-20 mg/L, a range suitable for testing the gliadin concentration in gluten-free food commodities.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/J.ELECOM.2018.10.011
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“Cost-effectiveness analysis of ecosystem management with ecosystem services : from theory to practice”. Boerema A, Van Passel S, Meire P, Ecological Economics 152, 207 (2018). http://doi.org/10.1016/J.ECOLECON.2018.06.005
Abstract: Integrated ecosystem management is challenging due to many, often conflicting, targets and limited resources to allocate. A valuable and straightforward approach is to integrate an ecosystem services assessment in a cost-effectiveness analysis as method to evaluate and compare the cost-effectiveness of several management scenarios to reach one or more objectives and take into account the potential effects on other ecosystem functions and services. Nevertheless, this method is not commonly used in ecosystem management evaluation but can provide an alternative for the frequently used but often contested cost-benefit analysis (which requires the step of assigning a monetary value to each benefit). The aim of this study is to apply the cost-effectiveness analysis in combination with an ecosystem services assessment on a real case-study (comparing alternative management strategies for estuaries) to derive lessons learned to go from theory to practice. The application of this method for the case-study reveals many remaining challenges such as data availability and knowledge to assess ecosystem effects of management measures. Nevertheless, the analysis demonstrates that this method can be used for making a more integrated evaluation and supporting better-informed management decisions.
Keywords: A1 Journal article; Economics; Engineering Management (ENM); Ecosystem Management
Impact Factor: 2.965
Times cited: 2
DOI: 10.1016/J.ECOLECON.2018.06.005
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“Quantification of the indirect use value of functional group diversity based on the ecological role of species in the ecosystem”. Daniels S, Bellmore JR, Benjamin JR, Witters N, Vangronsveld J, Van Passel S, Ecological Economics 153, 181 (2018). http://doi.org/10.1016/J.ECOLECON.2018.04.027
Abstract: An important issue in biodiversity valuation is gaining a better understanding of how biodiversity conservation affects economic activities and human welfare. Quantifying the economic benefits of biodiversity for human well-being is not straightforward. Here, we expand the ecosystem service cascade by (i) attributing a methodology to the different steps of the cascade to assess the effects of changes in functional group diversity on economic activities; (ii) including multiple attributes for defining functional diversity and (iii) integrating a dynamic ecological model simulating complex interactions and feedbacks between species with an economic model assessing the effects of changes in functional group diversity for gross revenues. The stepwise methodological framework integrates a production function approach with a market price-based approach in order to investigate the indirect use value of functional group diversity based on the ecological role of species in the ecosystem. The methodology is applied to estimate the relationship between the gross economic value of Chinook salmon (Pacific Northwest, United States) and the diversity of freshwater macroinvertebrates. The results of our analysis emphasize the importance of biological diversity for sustaining ecosystem goods and services. The analysis provides a tractable framework for quantitatively exploring the economic consequences of changes in functional group diversity.
Keywords: A1 Journal article; Economics; Engineering Management (ENM)
Impact Factor: 2.965
DOI: 10.1016/J.ECOLECON.2018.04.027
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“Identification by Raman spectroscopy of pararealgar as a starting material in the synthesis of amorphous arsenic sulfide pigments”. Vermeulen M, Saverwyns S, Coudray A, Janssens K, Sanyova J, Dyes and pigments 149, 290 (2018). http://doi.org/10.1016/J.DYEPIG.2017.10.009
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.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 3.473
Times cited: 7
DOI: 10.1016/J.DYEPIG.2017.10.009
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“Local probing of the enhanced field electron emission of vertically aligned nitrogen-doped diamond nanorods and their plasma illumination properties”. Deshmukh S, Sankaran KJ, Srinivasu K, Korneychuk S, Banerjee D, Barman A, Bhattacharya G, Phase DM, Gupta M, Verbeeck J, Leou KC, Lin IN, Haenen K, Roy SS, Diamond and related materials 83, 118 (2018). http://doi.org/10.1016/J.DIAMOND.2018.02.005
Abstract: A detailed conductive atomic force microscopic investigation is carried out to directly image the electron emission behavior for nitrogen-doped diamond nanorods (N-DNRs). Localized emission measurements illustrate uniform distribution of high-density electron emission sites from N-DNRs. Emission sites coupled to nano graphitic phases at the grain boundaries facilitate electron transport and thereby enhance field electron emission from N-DNRs, resulting in a device operation at low turn-on fields of 6.23 V/mu m, a high current density of 1.94 mA/cm(2) (at an applied field of 11.8 V/mu m) and a large field enhancement factor of 3320 with a long lifetime stability of 980 min. Moreover, using N-DNRs as cathodes, a microplasma device that can ignite a plasma at a low threshold field of 390 V/mm achieving a high plasma illumination current density of 3.95 mA/cm2 at an applied voltage of 550 V and a plasma life-time stability for a duration of 433 min was demonstrated.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.561
Times cited: 9
DOI: 10.1016/J.DIAMOND.2018.02.005
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“Structural, mechanical and electronic properties of two-dimensional structure of III-arsenide (111) binary compounds: An ab-initio study”. Gonzalez-Garcia A, Lopez-Perez W, Rivera-Julio J, Peeters FM, Mendoza-Estrada V, Gonzalez-Hernandez R, Computational materials science 144, 285 (2018). http://doi.org/10.1016/J.COMMATSCI.2017.12.050
Abstract: Structural, mechanical and electronic properties of two-dimensional single-layer hexagonal structures in the (111) crystal plane of IIIAs-ZnS systems (III = B, Ga and In) are studied by first-principles calculations based on density functional theory (DFT). Elastic and phonon dispersion relation display that 2D h-IIIAs systems (III = B, Ga and In) are both mechanical and dynamically stable. Electronic structures analysis show that the semiconducting nature of the 3D-IIIAs compounds is retained by their 2D single layer counterpart. Furthermore, density of states reveals the influence of sigma and pi bonding in the most stable geometry (planar or buckled) for 2D h-IIIAs systems. Calculations of elastic constants show that the Young's modulus, bulk modulus and shear modulus decrease for 2D h-IIIAs binary compounds as we move down on the group of elements of the periodic table. In addition, as the bond length between the neighboring cation-anion atoms increases, the 2D h-IIIAs binary compounds display less stiffness and more plasticity. Our findings can be used to understand the contribution of the r and p bonding in the most stable geometry (planar or buckled) for 2D h-IIIAs systems. Structural and electronic properties of h-IIIAs systems as a function of the number of layers have been also studied. It is shown that h-BAs keeps its planar geometry while both h-GAs and h-InAs retained their buckled ones obtained by their single layers. Bilayer h-IIIAs present the same bandgap nature of their counterpart in 3D. As the number of layers increase from 2 to 4, the bandgap width for layered h-IIIAs decreases until they become semimetal or metal. Interestingly, these results are different to those found for layered h-GaN. The results presented in this study for single and few-layer h-IIIAs structures could give some physical insights for further theoretical and experimental studies of 2D h-IIIV-like systems. (C) 2017 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.292
Times cited: 3
DOI: 10.1016/J.COMMATSCI.2017.12.050
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“Validation of inter-atomic potential for WS2 and WSe2 crystals through assessment of thermal transport properties”. Mobaraki A, Kandemir A, Yapicioglu H, Gulseren O, Sevik C, Computational materials science 144, 92 (2018). http://doi.org/10.1016/J.COMMATSCI.2017.12.005
Abstract: In recent years, transition metal dichalcogenides (TMDs) displaying astonishing properties are emerged as a new class of two-dimensional layered materials. The understanding and characterization of thermal transport in these materials are crucial for efficient engineering of 2D TMD materials for applications such as thermoelectric devices or overcoming general overheating issues. In this work, we obtain accurate Stillinger-Weber type empirical potential parameter sets for single-layer WS2 and WSe2 crystals by utilizing particle swarm optimization, a stochastic search algorithm. For both systems, our results are quite consistent with first-principles calculations in terms of bond distances, lattice parameters, elastic constants and vibrational properties. Using the generated potentials, we investigate the effect of temperature on phonon energies and phonon linewidth by employing spectral energy density analysis. We compare the calculated frequency shift with respect to temperature with corresponding experimental data, clearly demonstrating the accuracy of the generated inter-atomic potentials in this study. Also, we evaluate the lattice thermal conductivities of these materials by means of classical molecular dynamics simulations. The predicted thermal properties are in very good agreement with the ones calculated from first-principles. (C) 2017 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
DOI: 10.1016/J.COMMATSCI.2017.12.005
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“Bio(inspired) strategies for the electro-sensing of β-lactam antibiotics”. Bottari F, Blust R, De Wael K, Current opinion in electrochemistry 10, 143 (2018). http://doi.org/10.1016/J.COELEC.2018.05.016
Abstract: The dire previsions of the WHO on the so-called “post-antibiotic era” and the continuous and global rise of anti-microbial resistance, spurs our research community to find better ways to fight these threats. In light of this severe threat to human health many attempts have been made to develop efficient methods to detect antibiotic residues in different streams. The use of electrochemistry seems an inviting approach for on-site and fast monitoring. In this critical review, recent developments in the field of (bio) electro-sensing of 19-lactam antibiotics will be presented, with a focus on aptamers and molecularly imprinted polymers, the two main promises of a new generation of biosensors, yet to be fulfilled.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Times cited: 15
DOI: 10.1016/J.COELEC.2018.05.016
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“Electronic and mechanical properties of stiff rhenium carbide monolayers: A first-principles investigation”. Siriwardane EMD, Karki P, Sevik C, Cakir D, Applied surface science 458, 762 (2018). http://doi.org/10.1016/J.APSUSC.2018.07.058
Abstract: In this study, we predicted two new stable metallic Re-C based monolayer structures with a rectangular (r-ReC2) and a hexagonal (h-Re2C) crystal symmetry using first-principle calculations based on density functional theory. Our results obtained from mechanical and phonon calculations and high-temperature molecular dynamic simulations clearly proved the stability of these two-dimensional (2D) crystals. Interestingly, Re-C monolayers in common transition metal carbide structures (i.e. MXenes) were found to be unstable, contrary to expectations. We found that the stable structures, i.e. r-ReC2 and h-Re2C, display superior mechanical properties over the well-known 2D materials. The Young's modulus for r-ReC2 and h-Re2C are extremely high and were calculated as 351 (1310) and 617 (804) N/m (GPa), respectively. Both materials have larger Young's modulus values than the most of the well-known 2D materials. We showed that the combination of the short strong directional p-d bonds, the high coordination number of atoms in the unit-cell and high valence electron density result in strong mechanical properties. Due to its crystal structure, the r-ReC2 monolayer has anisotropic mechanical properties and the crystallographic direction parallel to the C-2 dimers is stiffer compared to perpendicular direction due to strong covalent bonding within C-2 dimers. h-Re2C was derived from the corresponding bulk structure for which we determined the critical thickness for the dynamically stable bulk-derived monolayer structures. In addition, we also investigated the electronic of these two stable structures. Both exhibit metallic behavior and Re-5d orbitals dominate the states around the Fermi level. Due to their ultra high mechanical stability and stiffness, these novel Re-C monolayers can be exploited in various engineering applications.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
DOI: 10.1016/J.APSUSC.2018.07.058
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“A comparative DFT study on CO oxidation reaction over Si-doped BC2N nanosheet and nanotube”. Nematollahi P, Neyts EC, Applied surface science 439, 934 (2018). http://doi.org/10.1016/J.APSUSC.2017.12.254
Abstract: In this study, we performed density functional theory (DFT) calculations to investigate different reaction mechanisms of CO oxidation catalyzed by the Si atom embedded defective BC2N nanostructures as well as the analysis of the structural and electronic properties. The structures of all the complexes are optimized and characterized by frequency calculations at the M062X/6-31G* computational level. Also, The electronic structures and thermodynamic parameters of adsorbed CO and O-2 molecules over Si-doped BC2N nanostructures are examined in detail. Moreover, to investigate the curvature effect on the CO oxidation reaction, all the adsorption and CO oxidation reactions on a finite-sized armchair (6,6) Si-BC2NNT are also studied. Our results indicate that there can be two possible pathways for the CO oxidation with O-2 molecule: O-2(g) + CO(g) -> O-2(ads) + CO(ads) -> CO2(g) + O-(ads) and O-(ads) + CO(g) -> CO2(g). The first reaction proceeds via the Langmuir-Hinshelwood (LH) mechanism while the second goes through the Eley-Rideal (ER) mechanism. On the other hand, by increasing the tube diameter, the energy barrier increases due to the strong adsorption energy of the O-2 molecule which is related to its dissociation over the tube surface. Our calculations indicate that the two step energy barrier of the oxidation reaction over Si-BC2NNS is less than that over the Si-BC2NNT. Hence, Si-BC2NNS may serve as an efficient and highly activated substrate to CO oxidation rather than (4,4) Si-BC2NNT. (C) 2018 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.387
Times cited: 8
DOI: 10.1016/J.APSUSC.2017.12.254
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“Experimental and computational investigation of graphene/SAMs/n-Si Schottky diodes”. Aydin H, Bacaksiz C, Yagmurcukardes N, Karakaya C, Mermer O, Can M, Senger RT, Sahin H, Selamet Y, Applied Surface Science 428, 1010 (2018). http://doi.org/10.1016/J.APSUSC.2017.09.204
Abstract: We have investigated the effect of two different self-assembled monolayers (SAMs) on electrical characteristics of bilayer graphene (BLG)/n-Si Schottky diodes. Novel 4“bis(diphenylamino)-1, 1':3”-terpheny1-5' carboxylic acids (TPA) and 4,4-di-9H-carbazol-9-y1-1,1':3'1'-terpheny1-5' carboxylic acid (CAR) aromatic SAMs have been used to modify n-Si surfaces. Cyclic voltammetry (CV) and Kelvin probe force microscopy (KPFM) results have been evaluated to verify the modification of n-Si surface. The current-voltage (I-V) characteristics of bare and SAMs modified devices show rectification behaviour verifying a Schottky junction at the interface. The ideality factors (n) from ln(I)-V dependences were determined as 2.13,1.96 and 2.07 for BLG/n-Si, BLG/TPA/n-Si and BLG/CAR/n-Si Schottky diodes, respectively. In addition, Schottky barrier height (SBH) and series resistance (Rs) of SAMs modified diodes were decreased compared to bare diode due to the formation of a compatible interface between graphene and Si as well as n-n interaction between aromatic SAMs and graphene. The CAR-based device exhibits better diode characteristic compared to the TPA-based device. Computational simulations show that the BLG/CAR system exhibits smaller energy-level-differences than the BLG/TPA, which supports the experimental findings of a lower Schottky barrier and series resistance in BLG/CAR diode. (C) 2017 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.387
Times cited: 2
DOI: 10.1016/J.APSUSC.2017.09.204
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“Atomistic simulations of plasma catalytic processes”. Neyts EC, Frontiers of Chemical Science and Engineering 12, 145 (2018). http://doi.org/10.1007/S11705-017-1674-7
Abstract: There is currently a growing interest in the realisation and optimization of hybrid plasma/catalyst systems for a multitude of applications, ranging from nanotechnology to environmental chemistry. In spite of this interest, there is, however, a lack in fundamental understanding of the underlying processes in such systems. While a lot of experimental research is already being carried out to gain this understanding, only recently the first simulations have appeared in the literature. In this contribution, an overview is presented on atomic scale simulations of plasma catalytic processes as carried out in our group. In particular, this contribution focusses on plasma-assisted catalyzed carbon nanostructure growth, and plasma catalysis for greenhouse gas conversion. Attention is paid to what can routinely be done, and where challenges persist.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.712
Times cited: 5
DOI: 10.1007/S11705-017-1674-7
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“Flux quantization and Aharonov-Bohm effect in superconducting rings”. Kenawy A, Magnus W, Sorée B, Journal of superconductivity and novel magnetism 31, 1351 (2018). http://doi.org/10.1007/S10948-017-4369-X
Abstract: Superconductivity is a macroscopic coherent state exhibiting various quantum phenomena such as magnetic flux quantization. When a superconducting ring is placed in a magnetic field, a current flows to expel the field from the ring and to ensure that the enclosed flux is an integer multiple of h/(2|e|). Although the quantization of magnetic flux in ring structures is extensively studied in literature, the applied magnetic field is typically assumed to be homogeneous, implicitly implying an interplay between field expulsion and flux quantization. Here, we propose to decouple these two effects by employing an Aharonov-Bohm-like structure where the superconducting ring is threaded by a magnetic core (to which the applied field is confined). Although the magnetic field vanishes inside the ring, the formation of vortices takes place, corresponding to a change in the flux state of the ring. The time evolution of the density of superconducting electrons is studied using the time-dependent Ginzburg-Landau equations.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.18
DOI: 10.1007/S10948-017-4369-X
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“Combining Monte Carlo simulations and experimental design for incorporating risk and uncertainty in investment decisions for cleantech : a fast pyrolysis case study”. Kuppens T, Rafiaani P, Vanreppelen K, Yperman J, Carleer R, Schreurs S, Thewys T, Van Passel S, Clean Technologies And Environmental Policy 20, 1195 (2018). http://doi.org/10.1007/S10098-018-1543-1
Abstract: The value of phytoextracting crops (plants cultivated for soil remediation) depends on the profitability of the sequential investment in a conversion technology aimed at the economic valorization of the plants. However, the net present value (NPV) of an investment in such an innovative technology is risky due to technical and economic uncertainties. Therefore, decision makers want to dispose of information about the probability of a positive NPV, the largest possible loss, and the crucial economic and technical parameters influencing the NPV. This paper maps the total uncertainty in the NPV of an investment in fast pyrolysis for the production of combined heat and power from willow cultivated for phytoextraction in the Belgian Campine. The probability of a positive NPV has been calculated by performing Monte Carlo simulations. Information about possible losses has been provided by means of experimental design. Both methods are then combined in order to identify the key economic and technical parameters influencing the project's profitability. It appears that the case study has a chance of 87% of generating a positive NPV with an expected value of 3 million euro (MEUR), while worst-case scenarios predict possible losses of 7 MEUR. The amount of arable land, the biomass yield, the purchase price of the crop, the policy support, and the product yield of fast pyrolysis are identified as the most influential parameters. It is concluded that both methods, i.e., Monte Carlo simulations and experimental design, provide decision makers with complementary information with regard to economic risk.
Keywords: A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
Impact Factor: 3.331
Times cited: 5
DOI: 10.1007/S10098-018-1543-1
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“Strained graphene structures : from valleytronics to pressure sensing”. Milovanović, SP, Peeters FM, Nanostructured Materials For The Detection Of Cbrn , 3 (2018). http://doi.org/10.1007/978-94-024-1304-5_1
Abstract: Due to its strong bonds graphene can stretch up to 25% of its original size without breaking. Furthermore, mechanical deformations lead to the generation of pseudo-magnetic fields (PMF) that can exceed 300 T. The generated PMF has opposite direction for electrons originating from different valleys. We show that valley-polarized currents can be generated by local straining of multi-terminal graphene devices. The pseudo-magnetic field created by a Gaussian-like deformation allows electrons from only one valley to transmit and a current of electrons from a single valley is generated at the opposite side of the locally strained region. Furthermore, applying a pressure difference between the two sides of a graphene membrane causes it to bend/bulge resulting in a resistance change. We find that the resistance changes linearly with pressure for bubbles of small radius while the response becomes non-linear for bubbles that stretch almost to the edges of the sample. This is explained as due to the strong interference of propagating electronic modes inside the bubble. Our calculations show that high gauge factors can be obtained in this way which makes graphene a good candidate for pressure sensing.
Keywords: P1 Proceeding; Pharmacology. Therapy; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Times cited: 6
DOI: 10.1007/978-94-024-1304-5_1
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“The common descent of biological shape description and special functions”. Gielis J, Caratelli D, de Jong van Coevorden M, Ricci PE page 119 (2018).
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.
Keywords: H1 Book chapter; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1007/978-3-319-75647-9_10
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“Investigation of heavy metal distributions along 15m soil profiles using EDXRF, XRD, SEM-EDX, and ICP-MS techniques”. Ozen SA, Ozkalayci F, Cevik U, Van Grieken R, X-ray spectrometry 47, 231 (2018). http://doi.org/10.1002/XRS.2832
Abstract: The research of soil contamination by heavy metal is an important field due to its environmental and health implications. The goal was to study the elemental mobility as a function of depth. For this reason, the distribution of heavy metals (V, Cr, Co, Ni, Cu, Zn, As, Sn, and Pb) was investigated along soil profiles up to a depth of 15m at 9 sampling sites in the Nilufer industrial district (Bursa, Turkey). Elemental analyses were done with the Epsilon 5 energy dispersive X-ray fluorescence and inductively coupled plasma mass spectrometry equipment. Particle analysis was performed with a JEOL scanning electron microscope equipped with a Si(Li) X-ray detector. The crystallographic compositions of oxide compounds in soil samples were identified by a Rigaku X-ray diffraction instrument. Different parameters such as the soil's chemical (mineralogical structure, pH, and electrical conductivity) and physical properties (the number of blows, the stiffness index, the liquidity index, the plasticity index, and the water content) were analyzed. To assess the mobility of the heavy metals, diffusion (D) and convection coefficients (?) were calculated with the finite difference method. Convection was determined to dominate the studied region. In addition, the mobility coefficient was determined for each metal. High mobilities were determined for Zn and V, moderate mobilities for Cr, Ni, Cu, and As, and low mobilities were determined for Co and Pb. The results revealed that elements had reached depths of up to 15m, causing irreversible soil contamination that may lead to environmental health issues.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1002/XRS.2832
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“Surface passivation of CIGS solar cells using gallium oxide”. Garud S, Gampa N, Allen TG, Kotipalli R, Flandre D, Batuk M, Hadermann J, Meuris M, Poortmans J, Smets A, Vermang B, Physica status solidi : A : applications and materials science 215, 1700826 (2018). http://doi.org/10.1002/PSSA.201700826
Abstract: This work proposes gallium oxide grown by plasma-enhanced atomic layer deposition, as a surface passivation material at the CdS buffer interface of Cu(In,Ga)Se-2 (CIGS) solar cells. In preliminary experiments, a metal-insulator-semiconductor (MIS) structure is used to compare aluminium oxide, gallium oxide, and hafnium oxide as passivation layers at the CIGS-CdS interface. The findings suggest that gallium oxide on CIGS may show a density of positive charges and qualitatively, the least interface trap density. Subsequent solar cell results with an estimated 0.5nm passivation layer show an substantial absolute improvement of 56mV in open-circuit voltage (V-OC), 1mAcm(-2) in short-circuit current density (J(SC)), and 2.6% in overall efficiency as compared to a reference (with the reference showing 8.5% under AM 1.5G).
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.775
Times cited: 8
DOI: 10.1002/PSSA.201700826
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“Toxicity of iron oxide nanoparticles : size and coating effects”. Abakumov MA, Semkina AS, Skorikov AS, Vishnevskiy DA, Ivanova AV, Mironova E, Davydova GA, Majouga AG, Chekhonin VP, Journal of biochemical and molecular toxicology 32, e22225 (2018). http://doi.org/10.1002/JBT.22225
Abstract: Toxicological research of novel nanomaterials is a major developmental step of their clinical approval. Since iron oxide magnetic nanoparticles have a great potential in cancer treatment and diagnostics, the investigation of their toxic properties is very topical. In this paper we synthesized bovine serum albumin-coated iron oxide nanoparticles with different sizes and their polyethylene glycol derivative. To prove high biocompatibility of obtained nanoparticles the number of in vitro toxicological tests on human fibroblasts and U251 glioblastoma cells was performed. It was shown that albumin nanoparticles' coating provides a stable and biocompatible shell and prevents cytotoxicity of magnetite core. On long exposure times (48 hours), cytotoxicity of iron oxide nanoparticles takes place due to free radical production, but this toxic effect may be neutralized by using polyethylene glycol modification.
Keywords: A1 Journal article; Pharmacology. Therapy; Electron microscopy for materials research (EMAT)
DOI: 10.1002/JBT.22225
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“Digitally reconstructing Van Gogh's Field with Irises near Arles. Part 2: Pigment concentration maps”. Kirchner E, van der Lans I, Ligterink F, Geldof M, Gaibor ANP, Hendriks E, Janssens K, Delaney J, Color research and application 43, 158 (2018). http://doi.org/10.1002/COL.22164
Abstract: Colors in many paintings of great art historical value have changed over time, due to the combined effects of natural ageing, accumulated surface grime, and materials added during later conservation treatments. The physical restoration of the colors in such paintings is not possible. This article describes one part of work done to digitally restore the colors of Van Gogh's painting Field with Irises near Arles, dating from May 1888. We have used multispectral reflectance data to estimate absorption K and backscattering S parameters of Kubelka-Munk 2-constant theory. This was done for all 13 pigments known to have been used by Van Gogh in this painting, and based on this the concentration maps for each of these pigments were calculated. We validated the calculated concentration maps in several ways. For some pigments, we were able to predict spots on the painting where the pigment is expected to occur in unmixed form based on visual examination. For several other pigments, the concentration maps could be shown to agree with XRF data. Finally, for some other pigments the concentration maps were supported by additional evidence from microscopic examinations, remarks in Van Gogh's letters and from early color reproductions. For the 1.7 million pixels for which multispectral data is available, the average color difference between the calculated and measured spectral reflectance curves is CIEDE2000 = 1.05. This further confirms that the Kubelka-Munk calculations are well suited to describe the variety of spectral reflectance on the painting.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 0.798
Times cited: 4
DOI: 10.1002/COL.22164
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“Control of the interfacial wettability to synthesize highly dispersed PtPd nanocrystals for efficient oxygen reduction reaction”. Wei H, Hu Z-Y, Xiao Y-X, Tian G, Ying J, Van Tendeloo G, Janiak C, Yang X-Y, Su B-L, Chemistry: an Asian journal 13, 1119 (2018). http://doi.org/10.1002/ASIA.201800191
Abstract: Highly dispersed PtPd bimetallic nanocrystals with enhanced catalytic activity and stability were prepared by adjusting the interfacial wettability of the reaction solution on a commercial carbon support. This approach holds great promise for the development of high-performance and low-cost catalysts for practical applications.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.083
Times cited: 3
DOI: 10.1002/ASIA.201800191
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“Photochemistry of Artists' Dyes and Pigments : towards better understanding and prevention of colour change in works of art”. Miliani C, Monico L, Melo MJ, Fantacci S, Angelin EM, Romani A, Janssens K, Angewandte Chemie: international edition in English 57, 7324 (2018). http://doi.org/10.1002/ANIE.201802801
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.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 11.994
Times cited: 10
DOI: 10.1002/ANIE.201802801
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“Chemical Mapping by Macroscopic X-ray Powder Diffraction (MA-XRPD) of Van Gogh's Sunflowers : identification of areas with higher degradation risk”. Vanmeert F, Hendriks E, van der Snickt G, Monico L, Dik J, Janssens K, Angewandte Chemie: international edition in English 57, 7418 (2018). http://doi.org/10.1002/ANIE.201713293
Abstract: The discoloration rate of chrome yellow (CY), a class of synthetic inorganic pigments (PbCr1-xSxO4) frequently used by Van Gogh and his contemporaries, strongly depends on its sulfate content and on its crystalline structure (either monoclinic or orthorhombic). Macroscopic X-Ray powder diffraction imaging of selected areas on Van Gogh's Sunflowers (Van Gogh Museum, Amsterdam) revealed the presence of two subtypes of CY: the light-fast monoclinic PbCrO4 (LF-CY) and the light-sensitive monoclinic PbCr1-xSxO4 (x approximate to 0.5; LS-CY). The latter was encountered in large parts of the painting (e.g., in the pale-yellow background and the bright-yellow petals, but also in the green stems and flower hearts), thus indicating their higher risk for past or future darkening. Overall, it is present in more than 50% of the CY regions. Preferred orientation of LS-CY allows observation of a significant ordering of the elongated crystallites along the direction of Van Gogh's brush strokes.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 11.994
Times cited: 10
DOI: 10.1002/ANIE.201713293
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“The role of the electrode surface in Na-Air batteries : insights in electrochemical product formation and chemical growth of NaO2”. Lutz L, Corte DAD, Chen Y, Batuk D, Johnson LR, Abakumov A, Yate L, Azaceta E, Bruce PG, Tarascon J-M, Grimaud A, Advanced energy materials 8, 1701581 (2018). http://doi.org/10.1002/AENM.201701581
Abstract: The Na-air battery, because of its high energy density and low charging overpotential, is a promising candidate for low-cost energy storage, hence leading to intensive research. However, to achieve such a battery, the role of the positive electrode material in the discharge process must be understood. This issue is herein addressed by exploring the electrochemical reduction of oxygen, as well as the chemical formation and precipitation of NaO2 using different electrodes. Whereas a minor influence of the electrode surface is demonstrated on the electrochemical formation of NaO2, a strong dependence of the subsequent chemical precipitation of NaO2 is identified. In the origin, this effect stems from the surface energy and O-2/O-2(-) affinity of the electrode. The strong interaction of Au with O-2/O-2(-) increases the nucleation rate and leads to an altered growth process when compared to C surfaces. Consequently, thin (3 mu m) flakes of NaO2 are found on Au, whereas on C large cubes (10 mu m) of NaO2 are formed. This has significant impact on the cell performance and leads to four times higher capacity when C electrodes with low surface energy and O-2/O-2(-) affinity are used. It is hoped that these findings will enable the design of new positive electrode materials with optimized surfaces.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 16.721
Times cited: 13
DOI: 10.1002/AENM.201701581
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“Charge transfer doping modulated raman scattering and enhanced stability of black phosphorus quantum dots on a ZnO nanorod”. Hu L, Amini MN, Wu Y, Jin Z, Yuan J, Lin R, Wu J, Dai Y, He H, Lu Y, Lu J, Ye Z, Han S-T, Ye J, Partoens B, Zeng Y-J, Ruan S, Advanced Optical Materials 6, 1800440 (2018). http://doi.org/10.1002/ADOM.201800440
Abstract: Black phosphorus (BP) has recently triggered an unprecedented interest in the 2D community. However, many of its unique properties are not exploited and the well-known environmental vulnerability is not conquered. Herein, a type-I mixed-dimensional (0D-1D) van der Waals heterojunction is developed, where three-atomic-layer BP quantum dots (QDs) are assembled on a single ZnO nanorod (NR). By adjusting the indium (In) content in ZnO NRs, the degree and even the direction of surface charge transfer doping within the heterojunction can be tuned, which result in selective Raman scattering enhancements between ZnO and BP. The maximal enhancement factor is determined as 4340 for BP QDs with sub-ppm level. Furthermore, an unexpected long-term ambient stability (more than six months) of BP QDs is revealed, which is ascribed to the electron doping from ZnO:In NRs. The first demonstration of selective Raman enhancements between two inorganic semiconductors as well as the improved stability of BP shed light on this emerging 2D material.
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 6.875
Times cited: 37
DOI: 10.1002/ADOM.201800440
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“Epitaxial stress-free growth of high crystallinity ferroelectric PbZr0.52Ti0.48O3 on GaN/AlGaN/Si(111) substrate”. Li L, Liao Z, Gauquelin N, Minh Duc Nguyen, Hueting RJE, Gravesteijn DJ, Lobato I, Houwman EP, Lazar S, Verbeeck J, Koster G, Rijnders G, Advanced Materials Interfaces 5, 1700921 (2018). http://doi.org/10.1002/ADMI.201700921
Abstract: <script type='text/javascript'>document.write(unpmarked('Due to its physical properties gallium-nitride (GaN) is gaining a lot of attention as an emerging semiconductor material in the field of high-power and high-frequency electronics applications. Therefore, the improvement in the performance and/or perhaps even extension in functionality of GaN based devices would be highly desirable. The integration of ferroelectric materials such as lead-zirconate-titanate (PbZrxTi1-xO3) with GaN has a strong potential to offer such an improvement. However, the large lattice mismatch between PZT and GaN makes the epitaxial growth of Pb(Zr1-xTix)O-3 on GaN a formidable challenge. This work discusses a novel strain relaxation mechanism observed when MgO is used as a buffer layer, with thicknesses down to a single unit cell, inducing epitaxial growth of high crystallinity Pb(Zr0.52Ti0.48)O-3 (PZT) thin films. The epitaxial PZT films exhibit good ferroelectric properties, showing great promise for future GaN device applications.'));
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.279
Times cited: 15
DOI: 10.1002/ADMI.201700921
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