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| Author | van Loon, A.; Vandivere, A.; Delaney, J.K.; Dooley, K.A.; De Meyer, S.; Vanmeert, F.; Gonzalez, V.; Janssens, K.; Leonhardt, E.; Haswell, R.; de Groot, S.; D'Imporzano, P.; Davies, G.R. | ||||
| Title | Beauty is skin deep : the skin tones of Vermeer's Girl with a Pearl Earring | Type | A1 Journal article | ||
| Year | 2019 | Publication | Heritage science | Abbreviated Journal | |
| Volume | 7 | Issue | 1 | Pages | 102 |
| Keywords | A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | The soft modelling of the skin tones in Vermeer's Girl with a Pearl Earring (Mauritshuis) has been remarked upon by art historians, and is their main argument to date this painting to c. 1665. This paper describes the materials and techniques Vermeer used to accomplish the smooth flesh tones and facial features of the Girl, which were investigated as part of the 2018 Girl in the Spotlight research project. It combines macroscopic X-ray fluorescence imaging (MA-XRF), reflectance imaging spectroscopy (RIS), and 3D digital microscopy. Vermeer built up the face, beginning with distinct areas of light and dark. He then smoothly blended the final layers to create almost seamless transitions. The combination of advanced imaging techniques highlighted that Vermeer built the soft contour around her face by leaving a 'gap' between the background and the skin. It also revealed details that were otherwise not visible with the naked eye, such as the eyelashes. Macroscopic imaging was complemented by the study of paint cross-sections using: light microscopy, SEM-EDX, FIB-STEM, synchrotron radiation mu-XRPD and FTIR-ATR. Vermeer intentionally used different qualities or grades of lead white in the flesh paints, showing different hydrocerussite/cerussite ratios and particle sizes. Lead isotope analysis showed that the geographic source of lead, from which the different types of lead white were manufactured, was the same: the region of Peak District of Derbyshire, UK. Finally, cross-section analysis identified the formation of new lead species in the paints: lead soaps and palmierite (K2Pb(SO4)(2)), associated with the red lake. | ||||
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| Language | Wos  |
000516736100001 | Publication Date | 2019-12-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2050-7445 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | no | |||
| Call Number | UA @ admin @ c:irua:167549 | Serial | 7552 | ||
| Permanent link to this record | |||||
| Author | Gorbanev, Y.; Vervloessem, E.; Nikiforov, A.; Bogaerts, A. | ||||
| Title | Nitrogen fixation with water vapor by nonequilibrium plasma : toward sustainable ammonia production | Type | A1 Journal article | ||
| Year | 2020 | Publication | Acs Sustainable Chemistry & Engineering | Abbreviated Journal | Acs Sustain Chem Eng |
| Volume | 8 | Issue | 7 | Pages | 2996-3004 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Ammonia is a crucial nutrient used for plant growth and as a building block in the pharmaceutical and chemical industry, produced via nitrogen fixation of the ubiquitous atmospheric N2. Current industrial ammonia production relies heavily on fossil resources, but a lot of work is put into developing nonfossil-based pathways. Among these is the use of nonequilibrium plasma. In this work, we investigated water vapor as a H source for nitrogen fixation into NH3 by nonequilibrium plasma. The highest selectivity toward NH3 was observed with low amounts of added H2O vapor, but the highest production rate was reached at high H2O vapor contents. We also studied the role of H2O vapor and of the plasma-exposed liquid H2O in nitrogen fixation by using isotopically labeled water to distinguish between these two sources of H2O. We show that added H2O vapor, and not liquid H2O, is the main source of H for NH3 generation. The studied catalyst- and H2-free method offers excellent selectivity toward NH3 (up to 96%), with energy consumption (ca. 95–118 MJ/mol) in the range of many plasma-catalytic H2-utilizing processes. | ||||
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| Language | Wos |
000516665500045 | Publication Date | 2020-02-03 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2168-0485 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.4 | Times cited | 14 | Open Access | |
| Notes | ; This research was supported by the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023), the Catalisti Moonshot project P2C, and the Methusalem project of the University of Antwerp. ; | Approved | Most recent IF: 8.4; 2020 IF: 5.951 | ||
| Call Number | UA @ admin @ c:irua:167134 | Serial | 6568 | ||
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| Author | Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G. | ||||
| Title | Carrier transport in a two-dimensional topological insulator nanoribbon in the presence of vacancy defects | Type | P1 Proceeding | ||
| Year | 2018 | Publication | International Conference on Simulation of Semiconductor Processes and Devices : [proceedings] T2 – International Conference on Simulation of Semiconductor Processes and, Devices (SISPAD), SEP 24-26, 2018, Austin, TX | Abbreviated Journal | |
| Volume | Issue | Pages | 92-96 | ||
| Keywords | P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | We model transport through two-dimensional topological insulator (TI) nanoribbons. To model the quantum transport, we employ the non-equilibrium Green's function approach. With the presented approach, we study the effect of lattice imperfections on the carrier transport. We observe that the topologically protected edge states of TIs are robust against a high percentage (2%) of vacancy defects. We also investigate tunneling of the edge states in two decoupled TI nanoribbons. | ||||
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| Language | Wos |
000516619300024 | Publication Date | 2018-12-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 978-1-5386-6790-3; 1946-1577; 978-1-5386-6791-0 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | no | |||
| Call Number | UA @ admin @ c:irua:181281 | Serial | 7579 | ||
| Permanent link to this record | |||||
| Author | Ravindra, K.; Dirtu, A.C.; Mor, S.; Wauters, E.; Van Grieken, R. | ||||
| Title | Source apportionment and seasonal variation in particulate PAHs levels at a coastal site in Belgium | Type | A1 Journal article | ||
| Year | 2020 | Publication | Environmental Science And Pollution Research | Abbreviated Journal | Environ Sci Pollut R |
| Volume | Issue | Pages | |||
| Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | In the present study, estimation of the atmospheric polycyclic aromatic hydrocarbons (PAHs) was done in particulate samples collected from De Haan, Belgium, during different seasons. The sampling site was situated very close to the north sea and far from the influence of local or industrial activities. The levels of PAHs depicted a distinct seasonal trend, being highest during the spring season. The observations of the study indicated a mean value of 2.6 ng m(-3) for concentration of all the 16 US EPA PAHs, thus being significantly lower when compared to results of previous studies focused on other sites. The dominating PAHs species reported were naphthalene, fluoranthene, benzo[a]anthracene, chrysene, and indeno[1,2,3c,d] pyrene. Assessment of the seasonal variation of the PAH levels was also done with respect to diagnostic ratio-based source identification, analysis of back trajectories, and principle component analysis. Burning of fossil fuels was observed to be the prominent source of atmospheric PAHs in the study area. Further, lifetime cancer risk assessment was performed to assess the detrimental health impacts on humans on being exposed to atmospheric PAHs. Particulate PAHs present in the ambient air of Belgium shows no carcinogenic health impacts. However, considering the industrial expansion in the region, efforts are required to prevent the environmental contamination of PAHs. | ||||
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| Language | Wos |
000516395800002 | Publication Date | 2020-02-15 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0944-1344; 1614-7499 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.8 | Times cited | Open Access | ||
| Notes | ; ; | Approved | Most recent IF: 5.8; 2020 IF: 2.741 | ||
| Call Number | UA @ admin @ c:irua:167778 | Serial | 6606 | ||
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| Author | Bafekry, A.; Neek-Amal, M. | ||||
| Title | Tuning the electronic properties of graphene-graphitic carbon nitride heterostructures and heterojunctions by using an electric field | Type | A1 Journal article | ||
| Year | 2020 | Publication | Physical Review B | Abbreviated Journal | Phys Rev B |
| Volume | 101 | Issue | 8 | Pages | 085417-10 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Integration of graphene-based two-dimensional materials is essential for nanoelectronics applications. Using density-functional theory, we systematically investigate the electronic properties of vertically stacked graphene-graphitic carbon nitrides (GE/GCN). We also studied the covalently lateral stitched graphene-graphitic carbon nitrides (GE-GCN heterojunctions). The effects of perpendicular electric field on the electronic properties of six different heterostructures, i.e., (i) one layer of GE on top of a layer of CnNm with (n, m) = (3,1), (3,4), and (4,3) and (ii) three heterostructures CnNm/Cn'Nm', where (n, m) not equal (n', m') are elucidated. The most important calculated features are (i) the systems GE/C3N4, C3N/C3N4, GE-C3N, GE-C4N3, and C3N-C3N4 exhibit semiconducting characteristics having small band gaps of Delta(0)=20, 250, 100, 100, 80 meV, respectively while (ii) the systems GE/C4N3, C3N/C4N3, and C3N-C4N3 show ferromagnetic-metallic properties. In particular, we found that, in semiconducting heterostructures, the band gap increases nontrivially with increasing the absolute value of the applied perpendicular electric field. This work is useful for designing heterojunctions and heterostructures made of graphene and other two-dimensional materials such as those proposed in recent experiments [X. Liu and M. C. Hersam Sci. Adv. 5, 6444 (2019)]. | ||||
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| Language | Wos |
000515659700007 | Publication Date | 2020-02-26 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2469-9969; 2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.7 | Times cited | 24 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 3.7; 2020 IF: 3.836 | ||
| Call Number | UA @ admin @ c:irua:167760 | Serial | 6640 | ||
| Permanent link to this record | |||||
| Author | Kenawy, A.; Magnus, W.; Milošević, M.V.; Sorée, B. | ||||
| Title | Voltage-controlled superconducting magnetic memory | Type | A1 Journal article | ||
| Year | 2019 | Publication | AIP advances T2 – 64th Annual Conference on Magnetism and Magnetic Materials (MMM), NOV 04-08, 2019, Las Vegas, NV | Abbreviated Journal | |
| Volume | 9 | Issue | 12 | Pages | 125223 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | Over the past few decades, superconducting circuits have been used to realize various novel electronic devices such as quantum bits, SQUIDs, parametric amplifiers, etc. One domain, however, where superconducting circuits fall short is information storage. Superconducting memories are based on the quantization of magnetic flux in superconducting loops. Standard implementations store information as magnetic flux quanta in a superconducting loop interrupted by two Josephson junctions (i.e., a SQUID). However, due to the large inductance required, the size of the SQUID loop cannot be scaled below several micrometers, resulting in low-density memory chips. Here, we propose a scalable memory consisting of a voltage-biased superconducting ring threaded by a half-quantum flux bias. By numerically solving the time-dependent Ginzburg-Landau equations, we show that applying a time-dependent bias voltage in the microwave range constitutes a writing mechanism to change the number of stored flux quanta within the ring. Since the proposed device does not require a large loop inductance, it can be scaled down, enabling a high-density memory technology. (C) 2019 Author(s). | ||||
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| Language | Wos |
000515525300002 | Publication Date | 2019-12-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2158-3226 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | no | |||
| Call Number | UA @ admin @ c:irua:167551 | Serial | 8740 | ||
| Permanent link to this record | |||||
| Author | Srivastava, A.; Van Passel, S.; Kessels, R.; Valkering, P.; Laes, E. | ||||
| Title | Reducing winter peaks in electricity consumption: A choice experiment to structure demand response programs | Type | A1 Journal Article | ||
| Year | 2020 | Publication | Energy Policy | Abbreviated Journal | Energ Policy |
| Volume | 137 | Issue | Pages | 111183 | |
| Keywords | A1 Journal Article; Engineering Management (ENM) ; | ||||
| Abstract | Winter peaks in Belgian electricity demand are significantly higher than the summer peaks, creating a greater potential for imbalances between demand and supply. This potential is exacerbated because of the risk of outages in its ageing nuclear power plants, which are being phased out in the medium term. This paper conducts a choice experiment to investigate the acceptability of a load control-based demand response program in the winter months. It surveys 186 respondents on their willingness to accept limits on the use of home appliances in return for a compensation. Results indicate that respondents are most affected by the days of the week that their appliance usage would be curtailed, and by the compensation they would receive. The willingness to enroll in a program increases with age, environmental consciousness, home ownership, and lower privacy concerns. The analysis predicts that 95% of the sample surveyed could enroll in a daily load control program for a compen- sation of €41 per household per year. Thus while an initial rollout among older and more pro-environment homeowners could be successful, a wider implementation would require an explanation of its environmental and financial benefits to the population, and a greater consideration of their data privacy concerns. | ||||
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| Language | Wos |
000515439900040 | Publication Date | 2019-12-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0301-4215 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 9 | Times cited | Open Access | ||
| Notes | The authors gratefully acknowledge the guidance offered by the Flemish Electricity Regulatory Agency (VREG), the Flemish Department for Environment, Nature, and Energy (LNE), and Guido Pepermans in designing the experiment. We are also grateful for the translations provided by Loic De Weerdt, and the support extended by Macarena MacLean Larrain in pre-testing the experiment. Finally, Roselinde Kes- sels thanks the Flemish Research Foundation (FWO) for her postdoctoral fellowship and the JMP Division of SAS Institute for further financial support. | Approved | Most recent IF: 9; 2020 IF: 4.14 | ||
| Call Number | ENM @ enm @c:irua:167253 | Serial | 6348 | ||
| Permanent link to this record | |||||
| Author | Bafekry, A. | ||||
| Title | Graphene-like BC₆N single-layer: tunable electronic and magnetic properties via thickness, gating, topological defects, and adatom/molecule | Type | A1 Journal article | ||
| Year | 2020 | Publication | Physica E-Low-Dimensional Systems & Nanostructures | Abbreviated Journal | Physica E |
| Volume | 118 | Issue | Pages | 113850-15 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | By using density functional theory-based first-principles calculations, we investigate the structural, electronic, optical, and transport properties of pristine single-layer BC6N. Under different external actions and functionalization. Increasing the thickness of the structure results in a decrease of the band gap. Applying a perpendicular electric field decreases the band gap and a semiconductor-to-topological insulator transition is revealed. Uniaxial and biaxial strains of +8% result in a semiconductor-to-metal transition. Nanoribbons of BC6N having zigzag edge with even (odd) values of widths, become metal (semiconductor), while the armchair edge nanoribbons exhibit robust semiconducting behavior. In addition, we systematically investigate the effect of surface adatom and molecule, substitutional impurity and defect engineering on the electronic properties of single-layer BC6N and found transitions from metal to half-metal, to ferromagnetic metal, to dilute magnetic semiconductor, and even to spin-glass semiconductor. Furthermore we found that, topological defects including vacancies and Stone–Wales type, induce magnetism in single-layer BC6N. | ||||
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| Language | Wos |
000515321700032 | Publication Date | 2019-12-04 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1386-9477 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.3 | Times cited | 30 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 3.3; 2020 IF: 2.221 | ||
| Call Number | UA @ admin @ c:irua:169750 | Serial | 6530 | ||
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| Author | Agrawal, H.; Patra, B.K.; Altantzis, T.; De Backer, A.; Garnett, E.C. | ||||
| Title | Quantifying Strain and Dislocation Density at Nanocube Interfaces after Assembly and Epitaxy | Type | A1 Journal article | ||
| Year | 2020 | Publication | Acs Applied Materials & Interfaces | Abbreviated Journal | Acs Appl Mater Inter |
| Volume | 12 | Issue | 7 | Pages | 8788-8794 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) | ||||
| Abstract | Nanoparticle self-assembly and epitaxy are utilized extensively to make 1D and 2D structures with complex shapes. High-resolution transmission electron microscopy (HRTEM) has shown that single-crystalline interfaces can form, but little is known about the strain and dislocations at these interfaces. Such information is critically important for applications: drastically reducing dislocation density was the key breakthrough enabling widespread implementation of light-emitting diodes, while strain engineering has been fundamental to modern high-performance transistors, solar cells, and thermoelectrics. In this work, the interfacial defect and strain formation after selfassembly and room temperature epitaxy of 7 nm Pd nanocubes capped with polyvinylpyrrolidone (PVP) is examined. It is observed that, during ligand removal, the cubes move over large distances on the substrate, leading to both spontaneous self-assembly and epitaxy to form single crystals. Subsequently, atomically resolved images are used to quantify the strain and dislocation density at the epitaxial interfaces between cubes with different lateral and angular misorientations. It is shown that dislocation- and strain-free interfaces form when the nanocubes align parallel to each other. Angular misalignment between adjacent cubes does not necessarily lead to grain boundaries but does cause dislocations, with higher densities associated with larger rotations. |
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| Language | Wos |
000515214300101 | Publication Date | 2020-02-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1944-8244 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 9.5 | Times cited | Open Access | OpenAccess | |
| Notes | Fonds Wetenschappelijk Onderzoek; H2020 Research Infrastructures, 731019 ; Nederlandse Organisatie voor Wetenschappelijk Onderzoek, 14846 ; The work at AMOLF is part of the research program of the “Nederlandse Organisatie voor Wetenschappelijk Onderzoek” (NWO). This work was supported by the NWO VIDI grant (project no. 14846). The authors would like to thank Reinout Jaarsma and Dr. Sven Askes for helping with the XPS measurements. A.D.B. acknowledges a postdoctoral grant from the research foundation Flanders (FWO). The authors acknowledge financial support from the European Commission under the Horizon 2020 Programme by means of the grant agreement no. 731019 EUSMI. | Approved | Most recent IF: 9.5; 2020 IF: 7.504 | ||
| Call Number | EMAT @ emat @c:irua:167770 | Serial | 6398 | ||
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| Author | Spiller, M.; Muys, M.; Papini, G.; Sakarika, M.; Buyle, M.; Vlaeminck, S.E. | ||||
| Title | Environmental impact of microbial protein from potato wastewater as feed ingredient : comparative consequential life cycle assessment of three production systems and soybean meal | Type | A1 Journal article | ||
| Year | 2020 | Publication | Water Research | Abbreviated Journal | Water Res |
| Volume | 171 | Issue | Pages | 115406 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Energy and Materials in Infrastructure and Buildings (EMIB) | ||||
| Abstract | Livestock production is utilizing large amounts of protein-rich feed ingredients such as soybean meal. The proven negative environmental impacts of soybean meal production incentivize the search for alternative protein sources. One promising alternative is Microbial Protein (MP), i.e. dried microbial biomass. To date, only few life cycle assessments (LCAs) for MP have been carried out, none of which has used a consequential modelling approach nor has been investigating the production of MP on food and beverage wastewater. Therefore, the objective of this study is to evaluate the environmental impact of MP production on a food and beverage effluent as a substitute for soybean meal using a consequential modelling approach. Three different types of MP production were analysed, namely consortia containing Aerobic Heterotrophic Bacteria (AHB), Microalgae and AHB (MaB), and Purple Non-Sulfur Bacteria (PNSB). The production of MP was modelled for high-strength potato wastewater (COD = 10 kg/m3) at a flow rate of 1,000 m3/day. LCA results were compared against soybean meal production for the endpoint impact categories human health, ecosystems, and resources. Soybean meal showed up to 52% higher impact on human health and up to 87% higher impact on ecosystems than MP. However, energy-related aspects resulted in an 8–88% higher resource exploitation for MP. A comparison between the MP production systems showed that MaB performed best when considering ecosystems (between 13 and 14% better) and resource (between 71 and 80% better) impact categories, while AHB and PNSB had lower values for the impact category human health (8–12%). The sensitivity analysis suggests that the conclusions drawn are robust as in the majority of 1,000 Monte Carlo runs the initial results are confirmed. In conclusion, it is suggested that MP is an alternative protein source of comparatively low environmental impact that should play a role in the future protein transition, in particular when further process improvements can be implemented and more renewable or waste energy sources will be used. | ||||
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| Language | Wos |
000514748900032 | Publication Date | 2019-12-18 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0043-1354 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 12.8 | Times cited | 10 | Open Access | |
| Notes | ; The authors would like to thank (i) the MIP i-Cleantech Flanders (Milieu innovatieplatform; Environment innovation platform) project Microbial Nutrients on Demand (MicroNOD; 150360) for financial support, (ii) the Research Foundation Flanders (FWO-Vlaanderen) for supporting Gustavo Papini with a doctoral fellowship (strategic basic research; 1S38917N), (iii) Research Foundation Flanders (FWO-Vlaanderen) for supporting Matthias Buyle with a post-doctoral fellowship (Postdoctoral Fellow junior; 1207520N), and (iv) Bo Weidema, Abbas Alloul, Yixing Sui and Tim Van Winckel for their insightful discussions. ; | Approved | Most recent IF: 12.8; 2020 IF: 6.942 | ||
| Call Number | UA @ admin @ c:irua:164944 | Serial | 6509 | ||
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| Author | Yang, M.; Chen, H.; Orekhov, A.; Lu, Q.; Lan, X.; Li, K.; Zhang, S.; Song, M.; Kong, Y.; Schryvers, D.; Du, Y. | ||||
| Title | Quantified contribution of β″ and β′ precipitates to the strengthening of an aged Al–Mg–Si alloy | Type | A1 Journal article | ||
| Year | 2020 | Publication | Materials Science And Engineering A-Structural Materials Properties Microstructure And Processing | Abbreviated Journal | Mat Sci Eng A-Struct |
| Volume | 774 | Issue | Pages | 138776 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | It is generally believed that β00 precipitates, rather than β0 precipitates, are the major strengthening precipitates in aged Al–Mg–Si alloys. The reason for this difference is not well understood. To clarify this, two samples of the same Al–Mg–Si alloy but with different aging states were prepared. The under-aged sample only contains nanoprecipitates of the β00 type, while the peak-aged one contains nearly equal volumes of β00 and β0 precipitates. We have, for the first time, separated the strengthening effect of the contribution from βʺ and βʹ precipitates, respectively, by an indirect approach based on high-precision measurements of volume fractions, number densities, sizes, proportions of the precipitates, their lattice strains, the composition and grain size of the matrix. The β0 precipitates, which take 45.6% of the total precipitate volume in the peak-aged sample, contribute to the entire precipitation strengthening by only 31.6%. The main reason why they are less useful compared to β00 precipitates has been found to be associated with their smaller lattice strains relative to the matrix, which is 0.99% versus 2.10% (for β00 ). |
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000514747200001 | Publication Date | 2019-12-04 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0921-5093 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.4 | Times cited | Open Access | OpenAccess | |
| Notes | National Natural Science Foundation of China, 51531009 51711530713 51501230 ; Central South University, 2018gczd033 ; Flemish Science Foundation, VS.026.18N ; Program for Guangdong Introducing Innovative and Entrepreneurial Teams, 2016ZT06G025 ; Guangdong Natural Science Foundation, 2017B030306014 ; | Approved | Most recent IF: 6.4; 2020 IF: 3.094 | ||
| Call Number | EMAT @ emat @c:irua:165290 | Serial | 5440 | ||
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| Author | Andelkovic, M.; Milovanović, S.P.; Covaci, L.; Peeters, F.M. | ||||
| Title | Double moiré with a twist : supermoiré in encapsulated graphene | Type | A1 Journal article | ||
| Year | 2020 | Publication | Nano Letters | Abbreviated Journal | Nano Lett |
| Volume | 20 | Issue | 2 | Pages | 979 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | A periodic spatial modulation, as created by a moire pattern, has been extensively studied with the view to engineer and tune the properties of graphene. Graphene encapsulated by hexagonal boron nitride (hBN) when slightly misaligned with the top and bottom hBN layers experiences two interfering moire patterns, resulting in a so-called supermoire (SM). This leads to a lattice and electronic spectrum reconstruction. A geometrical construction of the nonrelaxed SM patterns allows us to indicate qualitatively the induced changes in the electronic properties and to locate the SM features in the density of states and in the conductivity. To emphasize the effect of lattice relaxation, we report band gaps at all Dirac-like points in the hole doped part of the reconstructed spectrum, which are expected to be enhanced when including interaction effects. Our result is able to distinguish effects due to lattice relaxation and due to the interfering SM and provides a clear picture on the origin of recently experimentally observed effects in such trilayer heterostuctures. | ||||
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000514255400021 | Publication Date | 2020-01-21 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 1530-6984 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 10.8 | Times cited | 48 | Open Access | OpenAccess |
| Notes | ; This work was funded by FLAGERA project TRANS2DTMD and the Flemish Science Foundation (FWO-Vl) through a postdoc fellowship for S.P.M. The authors acknowledge useful discussions with W. Zihao and K. Novoselov. ; | Approved | Most recent IF: 10.8; 2020 IF: 12.712 | ||
| Call Number | UA @ admin @ c:irua:168685 | Serial | 6490 | ||
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| Author | Chen, B.; Gauquelin, N.; Reith, P.; Halisdemir, U.; Jannis, D.; Spreitzer, M.; Huijben, M.; Abel, S.; Fompeyrine, J.; Verbeeck, J.; Hilgenkamp, H.; Rijnders, G.; Koster, G. | ||||
| Title | Thermal-strain-engineered ferromagnetism of LaMnO3/SrTiO3 heterostructures grown on silicon | Type | A1 Journal article | ||
| Year | 2020 | Publication | Physical review materials | Abbreviated Journal | Phys. Rev. Materials |
| Volume | 4 | Issue | 2 | Pages | 024406 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The integration of oxides on Si remains challenging, which largely hampers the practical applications of oxide-based electronic devices with superior performance. Recently, LaMnO3/SrTiO3 (LMO/STO) heterostructures have gained renewed interest for the debating origin of the ferromagnetic-insulating ground state as well as for their spin-filter applications. Here we report on the structural and magnetic properties of high-quality LMO/STO heterostructures grown on silicon. The chemical abruptness across the interface was investigated by atomic-resolution scanning transmission electron microscopy. The difference in the thermal expansion coefficients between LMO and Si imposed a large biaxial tensile strain to the LMO film, resulting in a tetragonal structure with c/a∼ 0.983. Consequently, we observed a significantly suppressed ferromagnetism along with an enhanced coercive field, as compared to the less distorted LMO film (c/a∼1.004) grown on STO single crystal. The results are discussed in terms of tensile-strain enhanced antiferromagnetic instabilities. Moreover, the ferromagnetism of LMO on Si sharply disappeared below a thickness of 5 unit cells, in agreement with the LMO/STO case, pointing to a robust critical behavior irrespective of the strain state. Our results demonstrate that the growth of oxide films on Si can be a promising way to study the tensile-strain effects in correlated oxides, and also pave the way towards the integration of multifunctional oxides on Si with atomic-layer control. | ||||
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| Language | Wos |
000513552900003 | Publication Date | 2020-02-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2475-9953 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.4 | Times cited | 6 | Open Access | Not_Open_Access |
| Notes | Nederlandse Organisatie voor Wetenschappelijk Onderzoek; Universiteit Antwerpen; Vlaamse regering; Fonds Wetenschappelijk Onderzoek, G093417N ; Javna Agencija za Raziskovalno Dejavnost RS, J2-9237 P2-0091 ; European Commission, H2020-ICT-2016-1-732642 ; | Approved | Most recent IF: 3.4; 2020 IF: NA | ||
| Call Number | EMAT @ emat @c:irua:167782 | Serial | 6375 | ||
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| Author | Araizi-Kanoutas, G.; Geessinck, J.; Gauquelin, N.; Smit, S.; Verbeek, X.H.; Mishra, S.K.; Bencok, P.; Schlueter, C.; Lee, T.-L.; Krishnan, D.; Fatermans, J.; Verbeeck, J.; Rijnders, G.; Koster, G.; Golden, M.S. | ||||
| Title | Co valence transformation in isopolar LaCoO3/LaTiO3 perovskite heterostructures via interfacial engineering | Type | A1 Journal article | ||
| Year | 2020 | Publication | Physical review materials | Abbreviated Journal | Phys. Rev. Materials |
| Volume | 4 | Issue | 2 | Pages | 026001 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | We report charge transfer up to a single electron per interfacial unit cell across nonpolar heterointerfaces from the Mott insulator LaTiO3 to the charge transfer insulator LaCoO3. In high-quality bi- and trilayer systems grown using pulsed laser deposition, soft x-ray absorption, dichroism, and scanning transmission electron microscopy-electron energy loss spectroscopy are used to probe the cobalt-3d electron count and provide an element-specific investigation of the magnetic properties. The experiments show the cobalt valence conversion is active within 3 unit cells of the heterointerface, and able to generate full conversion to 3d7 divalent Co, which displays a paramagnetic ground state. The number of LaTiO3/LaCoO3 interfaces, the thickness of an additional, electronically insulating “break” layer between the LaTiO3 and LaCoO3, and the LaCoO3 film thickness itself in trilayers provide a trio of control knobs for average charge of the cobalt ions in LaCoO3, illustrating the efficacy of O−2p band alignment as a guiding principle for property design in complex oxide heterointerfaces. | ||||
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| Language | Wos |
000513551200007 | Publication Date | 2020-02-10 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2475-9953 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.4 | Times cited | 13 | Open Access | OpenAccess |
| Notes | Nederlandse Organisatie voor Wetenschappelijk Onderzoek; Universiteit Antwerpen; Horizon 2020, 730872 ; Department of Science and Technology, Ministry of Science and Technology, SR/NM/Z-07/2015 ; Jawaharlal Nehru Centre for Advanced Scientific Research; | Approved | Most recent IF: 3.4; 2020 IF: NA | ||
| Call Number | EMAT @ emat @c:irua:167787 | Serial | 6376 | ||
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| Author | Mirzakhani, M.; Peeters, F.M.; Zarenia, M. | ||||
| Title | Circular quantum dots in twisted bilayer graphene | Type | A1 Journal article | ||
| Year | 2020 | Publication | Physical Review B | Abbreviated Journal | Phys Rev B |
| Volume | 101 | Issue | 7 | Pages | 075413 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Within a tight-binding approach, we investigate the effect of twisting angle on the energy levels of circular bilayer graphene (BLG) quantum dots (QDs) in both the absence and presence of a perpendicular magnetic field. The QDs are defined by an infinite-mass potential, so that the specific edge effects are not present. In the absence of magnetic field (or when the magnetic length is larger than the moire length), we show that the low-energy states in twisted BLG QDs are completely affected by the formation of moire patterns, with a strong localization at AA-stacked regions. When magnetic field increases, the energy gap of an untwisted BLG QD closes with the edge states, localized at the boundaries between the AA- and AB-stacked spots in a twisted BLG QD. Our observation of the spatial localization of the electrons in twisted BLG QDs can be experimentally probed by low-bias scanning tunneling microscopy measurements. | ||||
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| Language | Wos |
000512772200004 | Publication Date | 2020-02-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2469-9969; 2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.7 | Times cited | 19 | Open Access | |
| Notes | ; We gratefully acknowledge discussions with I. Snyman. M.Z. acknowledges support from the U.S. Department of Energy (Office of Science) under Grant No. DE-FG0205ER46203. ; | Approved | Most recent IF: 3.7; 2020 IF: 3.836 | ||
| Call Number | UA @ admin @ c:irua:166493 | Serial | 6470 | ||
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| Author | Dooley, K.A.; Chieli, A.; Romani, A.; Legrand, S.; Miliani, C.; Janssens, K.; Delaney, J.K. | ||||
| Title | Molecular fluorescence imaging spectroscopy for mapping low concentrations of red lake pigments : Van Gogh's painting The Olive Orchard | Type | A1 Journal article | ||
| Year | 2020 | Publication | Angewandte Chemie-International Edition | Abbreviated Journal | Angew Chem Int Edit |
| Volume | Issue | Pages | |||
| Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | Vincent van Gogh used fugitive red lake pigments that have faded in some paintings. Mapping their distribution is key to understanding how his paintings have changed with time. While red lake pigments can be identified from microsamples, in situ identification and mapping remain challenging. This paper explores the ability of molecular fluorescence imaging spectroscopy to identify and, more importantly, map residual non-degraded red lakes. The high sensitivity of this method enabled identification of the emission spectra of eosin (tetrabromine fluorescein) lake mixed with lead or zinc white at lower concentrations than elemental X-ray fluorescence (XRF) spectroscopy used on account of bromine. The molecular fluorescence mapping of residual eosin and two carmine red lakes in van Gogh's The Olive Orchard is demonstrated and compared with XRF imaging spectroscopy. The red lakes are consistent with the composition of paint tubes known to have been used by van Gogh. | ||||
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| Language | Wos |
000512477200001 | Publication Date | 2020-01-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1433-7851; 0570-0833 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 16.6 | Times cited | 2 | Open Access | |
| Notes | ; We thank Damon Conover and Roxanne Radpour for help with the fluorescence self-absorption correction, and Ella Hendricks for discussions about van Gogh~s letters and materials. K.J. and S.L. thank the Research Council of the University of Antwerp for financial support (ID grant 25805 to S.L. and GOA project SolarPaint). Also FWO, Brussels provided financial support (grants G056619N and G054719N). The European research project IPERION-CH, funded by the European Commission, H2020-INFRAIA-2014-2015 (Grant agreement n. 654028) is also acknowledged. ; | Approved | Most recent IF: 16.6; 2020 IF: 11.994 | ||
| Call Number | UA @ admin @ c:irua:166490 | Serial | 6563 | ||
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| Author | Clima, S.; Garbin, D.; Opsomer, K.; Avasarala, N.S.; Devulder, W.; Shlyakhov, I.; Keukelier, J.; Donadio, G.L.; Witters, T.; Kundu, S.; Govoreanu, B.; Goux, L.; Detavernier, C.; Afanas'ev, V.; Kar, G.S.; Pourtois, G. | ||||
| Title | Ovonic threshold-switching GexSey chalcogenide materials : stoichiometry, trap nature, and material relaxation from first principles | Type | A1 Journal article | ||
| Year | 2020 | Publication | Physica Status Solidi-Rapid Research Letters | Abbreviated Journal | Phys Status Solidi-R |
| Volume | Issue | Pages | 1900672 | ||
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Density functional theory simulations are used to identify the structural factors that define the material properties of ovonic threshold switches (OTS). They show that the nature of mobility-gap trap states in amorphous Ge-rich Ge50Se50 is related to Ge-Ge bonds, whereas in Se-rich Ge30Se70 the Ge valence-alternating-pairs and Se lone-pairs dominate. To obtain a faithful description of the electronic structure and delocalization of states, it is required to combine hybrid exchange-correlation functionals with large unit-cell models. The extent of localization of electronic states depends on the applied external electric field. Hence, OTS materials undergo structural changes during electrical cycling of the device, with a decrease in the population of less exothermic Ge-Ge bonds in favor of more exothermic Ge-Se. This reduces the amount of charge traps, which translates into coordination changes, an increase in mobility-gap, and subsequently changes in the selector-device electrical parameters. The threshold voltage drift process can be explained by natural evolution of the nonpreferred Ge-Ge bonds (or “chains”/clusters thereof) in Ge-rich GexSe1-x. The effect of extrinsic doping is shown for Si and N, which introduce strong covalent bonds into the system, increase both mobility-gap and crystallization temperature, and decrease the leakage current. | ||||
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| Language | Wos |
000512431100001 | Publication Date | 2020-01-28 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1862-6254 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.8 | Times cited | 3 | Open Access | |
| Notes | ; This work was carried out in the framework of the imec Core CMOS-Emerging Memory Program. Financial support from EU H2020-NMBPTO-IND-2018 project “INTERSECT” (Grant No. 814487) is acknowledged. ; | Approved | Most recent IF: 2.8; 2020 IF: 3.032 | ||
| Call Number | UA @ admin @ c:irua:166492 | Serial | 6575 | ||
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| Author | Hofman, J.; Castanheiro, A.; Nuyts, G.; Joosen, S.; Spassov, S.; Blust, R.; De Wael, K.; Lenaerts, S.; Samson, R. | ||||
| Title | Impact of urban street canyon architecture on local atmospheric pollutant levels and magneto-chemical PM10 composition : an experimental study in Antwerp, Belgium | Type | A1 Journal article | ||
| Year | 2019 | Publication | The science of the total environment | Abbreviated Journal | Sci Total Environ |
| Volume | 712 | Issue | 712 | Pages | 135534 |
| Keywords | A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | As real-life experimental data on natural ventilation of atmospheric pollution levels in urban street canyons is still scarce and has proven to be complex, this study, experimentally evaluated the impact of an urban street canyon opening on local atmospheric pollution levels, during a 2-week field campaign in a typical urban street canyon in Antwerp, Belgium. Besides following up on atmospheric particulate matter (PM), ultrafine particles (UFPs) and black carbon (BC) levels, the magneto-chemical PM10 composition was quantified to identify contributions of specific elements in enclosed versus open street canyon sections. Results indicated no higher overall PM, UFP and BC concentrations at the enclosed site compared to the open site, but significant day-to-day variability between both monitoring locations, depending on the experienced wind conditions. On days with oblique wind regimes (4 out of 14), natural ventilation was observed at the open location while higher element contributions of Ca, Fe, Co, Ni, Cu, Zn and Sr were exhibited at the enclosed location. Magnetic properties correlated with the PM10 filter loading, and elemental content of Fe, Cr, Mn and Ti. Magnetic bivariate ratios identified finel-grained magnetite carriers with grain sizes below 0.1 μm, indicating similar magnetic source contributions at both monitoring locations. Our holistic approach, combining atmospheric monitoring with magneto-chemical PM characterization has shown the complex impact of real-life wind flow regimes, different source contributions and local traffic dynamics on the resulting pollutant concentrations and contribute to a better understanding on the urban ventilation processes of atmospheric pollution. | ||||
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| Language | Wos |
000512369600078 | Publication Date | 2019-11-25 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 0048-9697 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.9 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 4.9 | |||
| Call Number | UA @ admin @ c:irua:165459 | Serial | 5654 | ||
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| Author | Fret, J.; Roef, L.; Diels, L.; Tavernier, S.; Vyverman, W.; Michiels, M. | ||||
| Title | Combining medium recirculation with alternating the microalga production strain : a laboratory and pilot scale cultivation test | Type | A1 Journal article | ||
| Year | 2020 | Publication | Algal Research-Biomass Biofuels And Bioproducts | Abbreviated Journal | Algal Res |
| Volume | 46 | Issue | Pages | 101763 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) | ||||
| Abstract | Reuse of growth medium after biomass harvesting is a cost-saving approach to improve the economic feasibility of algae mass cultivation. Algal exudates, cell debris and varying amounts of residual nutrients, impose challenges to the recycling of spent medium. In this study, the potential of combining reused medium from different algae species for growing monocultures of other algal strains was evaluated by making use of three successive cultivation setups with increasing volume; 400 mL in turbidostat mode, 2.6 L and 220 L in semi-continuous mode. Cultivation on replenished medium derived from Nannochloropsis sp. and Tisochrysis lutea, had no adverse effect on the productivity of either of the strains, regardless of whether they were grown in their own recycled medium or that of the other alga. Microfiltration of the reused medium proved to be sufficient to avoid cross-contamination. Moreover, a substantial average reduction in water footprint (77%) and nutrient cost (68% or 9 (sic).kg(-1) dry biomass) was achieved. Extension and validation of the medium recycling approach to other economically interesting algae species can contribute to improving the economic feasibility of large scale microalgae production systems. | ||||
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| Language | Wos |
000512364900013 | Publication Date | 2020-01-02 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2211-9264 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.1 | Times cited | 4 | Open Access | |
| Notes | ; This work was financially supported by the Agency for Innovation by Science and Technology, Flanders (IWT Baekeland mandatory Jorien Fret, project no. 100678). We thank Kayawe Valentine Mubiana from the Systemic Physiological and Ecotoxicological Research group, University of Antwerp, for the assistance in the analysis of the trace elements. ; | Approved | Most recent IF: 5.1; 2020 IF: 3.994 | ||
| Call Number | UA @ admin @ c:irua:167742 | Serial | 6471 | ||
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| Author | González-Rubio, G.; Milagres de Oliveira, T.; Albrecht, W.; Díaz-Núñez, P.; Castro-Palacio, J.C.; Prada, A.; González, R.I.; Scarabelli, L.; Bañares, L.; Rivera, A.; Liz-Marzán, L.M.; Peña-Rodríguez, O.; Bals, S.; Guerrero-Martínez, A. | ||||
| Title | Formation of Hollow Gold Nanocrystals by Nanosecond Laser Irradiation | Type | A1 Journal article | ||
| Year | 2020 | Publication | Journal Of Physical Chemistry Letters | Abbreviated Journal | J Phys Chem Lett |
| Volume | 11 | Issue | 11 | Pages | 670-677 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The irradiation of spherical gold nanoparticles (AuNPs) with nanosecond laser pulses induces shape transformations yielding nanocrystals with an inner cavity. The concentration of the stabilizing surfactant, the use of moderate pulse fluences, and the size of the irradiated AuNPs determine the efficiency of the process and the nature of the void. Hollow nanocrystals are obtained when molecules from the surrounding medium (e.g., water and organic matter derived from the surfactant) are trapped during laser pulse irradiation. These experimental observations suggest the existence of a subtle balance between the heating and cooling processes experienced by the nanocrystals, which induce their expansion and subsequent recrystallization keeping exogenous matter inside. The described approach provides valuable insight into the mechanism of interaction of pulsed nanosecond laser with AuNPs, along with interesting prospects for the development of hollow plasmonic nanoparticles with potential applications related to gas and liquid storage at the nanoscale. | ||||
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000512223400012 | Publication Date | 2020-02-06 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 1948-7185 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.7 | Times cited | 15 | Open Access | OpenAccess |
| Notes | This work has been funded by the Spanish Ministry of Science, Innovation and Universities (MICIU) (Grants RTI2018-095844-B-I00, PGC2018-096444-B-I00, ENE2015-70300-C3-3, and MAT2017-86659-R), the EUROfusion Consortium (Grant ENR-IFE19.CCFE-01) and the Madrid Regional Government (Grants P2018/NMT-4389 and P2018/EMT-4437). This project has received funding from the European Commission (grant 731019, EUSMI & grant 823717, ESTEEM3). The publication is based also upon work from COST Action TUMIEE (CA17126). The facilities provided by the Center for Ultrafast Lasers at Complutense University of Madrid are gratefully acknowledged. The authors also acknowledge the computer resources and technical assistance provided by the Centro de Supercomputacion y Visualizacion de Madrid (CeSViMa). L.M.L.-M. acknowledges the Maria de Maeztu Units of Excellence Program from the Spanish State Research Agency (Grant MDM-2017-0720). This project has also received funding from the European Research Council (ERC Consolidator Grant 815128, REALNANO). W.A. acknowledges an Individual Fellowship funded by the Marie Sklodowska-Curie Actions (MSCA) in Horizon 2020 program (Grant 797153, SOPMEN). A.P. and R.I.G. acknowledge the support of FONDECYT under Grants 3190123 and 11180557 and Financiamiento Basal para Centros Cientificos y Tecnologicos de Excelencia FB-0807. This research was partially supported by the supercomputing infrastructure of the NLHPC (ECM-02).; sygma; esteem3JRA; esteem3reported | Approved | Most recent IF: 5.7; 2020 IF: 9.353 | ||
| Call Number | EMAT @ emat @c:irua:166504 | Serial | 6334 | ||
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| Author | Cordeiro, R.M.; Yusupov, M.; Razzokov, J.; Bogaerts, A. | ||||
| Title | Parametrization and Molecular Dynamics Simulations of Nitrogen Oxyanions and Oxyacids for Applications in Atmospheric and Biomolecular Sciences | Type | A1 Journal article | ||
| Year | 2020 | Publication | Journal Of Physical Chemistry B | Abbreviated Journal | J Phys Chem B |
| Volume | 124 | Issue | 6 | Pages | 1082-1089 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Nitrogen oxyanions and oxyacids are important agents in atmospheric chemistry and medical biology. Although their chemical behavior in solution is relatively well understood, they may behave very differently at the water/air interface of atmospheric aerosols or at the membrane/water interface of cells. Here, we developed a fully classical model for molecular dynamics simulations of NO3−, NO2−, HNO3, and HNO2 in the framework of the GROMOS 53A6 and 54A7 force field versions. The model successfully accounted for the poorly structured solvation shell and ion pairing tendency of NO3−. Accurate pure-liquid properties and hydration free energies were obtained for the oxyacids. Simulations at the water/air interface showed a local enrichment of HNO3 and depletion of NO3−. The effect was discussed in light of earlier spectroscopic data and ab initio calculations, suggesting that HNO3 behaves as a weaker acid at the surface of water. Our model will hopefully allow for efficient and accurate simulations of nitrogen oxyanions and oxyacids in solution and at microheterogeneous interface environments. | ||||
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000512222500015 | Publication Date | 2020-02-13 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 1520-6106 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.3 | Times cited | Open Access | ||
| Notes | We thank Universidade Federal do ABC for providing the computational resources needed for completion of this work. This study was financed in part by the Coordenaçaõ de Aperfeiçoamento de Pessoal de Nı ́vel Superior – Brasil (CAPES) – Finance Code 001. | Approved | Most recent IF: 3.3; 2020 IF: 3.177 | ||
| Call Number | PLASMANT @ plasmant @c:irua:166488 | Serial | 6340 | ||
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| Author | Koch, K.; Samson, R.; Denys, S. | ||||
| Title | Experimental and computational aerodynamic characterisation of urban trees | Type | A1 Journal article | ||
| Year | 2020 | Publication | Biosystems Engineering | Abbreviated Journal | Biosyst Eng |
| Volume | 190 | Issue | Pages | 47-57 | |
| Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | The Darcy–Forchheimer method is used for modelling the airflow through vegetation. Seven tree and shrub species with contrasting leaf morphologies were installed in a wind tunnel to allow pressure loss measurements across the plant section. Aerodynamic parameters derived from this experiment were inserted into a COMSOL Multiphysics computational fluid dynamics model. The model was confirmed to be a good predictor for airflow through vegetation (R2 = 0.98), regardless of plant morphology. Moreover, supplementing these data with results from a previous study (which considered herbaceous species) revealed a pattern of pressure loss data, that was already been normalised for plant area density. Although we propose further research into kinetic energy transfer in vegetation, this study provides sufficient interesting information for further applications and modelling to describe and predict urban ecology. | ||||
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000512221700005 | Publication Date | 2019-12-18 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1537-5110 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.1 | Times cited | Open Access | ||
| Notes | ; This work was supported by the VLAIO-VIS project 'Green building: green walls for sustainable buildings and cities' (140993) and the FWO-SBO project 'EcoCities: Green roofs and walls as a source for ecosystem services in future cities' (S002818N). ; | Approved | Most recent IF: 5.1; 2020 IF: 2.044 | ||
| Call Number | UA @ admin @ c:irua:164883 | Serial | 6516 | ||
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| Author | Rafiaani, P.; Dikopoulou, Z.; Van Dael, M.; Kuppens, T.; Azadi, H.; Lebailly, P.; Van Passel, S. | ||||
| Title | Identifying Social Indicators for Sustainability Assessment of CCU Technologies: A Modified Multi-criteria Decision Making | Type | A1 Journal Article | ||
| Year | 2020 | Publication | Social Indicators Research | Abbreviated Journal | Soc Indic Res |
| Volume | 147 | Issue | 1 | Pages | 15-44 |
| Keywords | A1 Journal Article; Engineering Management (ENM) ; | ||||
| Abstract | Carbon capture and utilization (CCU) technologies capture CO2 waste emissions and utilize them to generate new products (such as fuels, chemicals, and materials) with various environmental, economic, and social opportunities. As most of these CCU technologies are in the R&D stage, their technical and economic viability are examined with less attention to the social aspect which is an important pillar for a holistic sustainability assessment. The lack of systematic social impact research is mainly due to the difficulty of identifying and quantifying social aspects through the entire life cycle of products. We will fill this gap for CCU technologies and identify the main social indicators. A multi-criteria decision making tool: TOPSIS (technique for order of preference by similarity to ideal solution) was applied to empirically determine which indicators are more relevant for assessing the social impact of a company operating CCU activities within a European context. First, seeing that social impact categories are linked to key stakeholder groups, we considered workers, consumers, and local communities as relevant stakeholders. Second, the main social impact categories and their potential performance indicators associated to each group of stakeholders were listed using the United Nations Environment Program/Society of Environmental Toxicology and Chemistry (UNEP/SETAC) guidelines. In the third step, an online questionnaire was distributed to identify the main social categories and indicators for CCU, to which 33 European CCU experts responded. Finally, a modified TOPSIS was applied to rank the indicators based on their relevance. We found that the indicators related to “end of life responsibility” and “transparency” within a CCU company achieved the highest rank affecting the consumers group, whereas “fair salary” and “equal opportunities/discriminations” were determined as the most relevant impact categories for the workers. For the local community group, “secure living conditions” and “local employment” received the highest priority from the experts’ point of view. Furthermore, “health and safety” considerations were identified as one of the most important criteria affecting all three groups of stakeholders. The ranking list of the main social indicators identified in our study provides the basis for the next steps in the social sustainability assessment of CCU technologies; that is, data collection and impact assessment. Our outcomes can also be used to inform the producers regarding the most and least relevant social aspects of CCU so that the potential social impacts caused by their production activities can be improved or prevented. | ||||
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000511863600002 | Publication Date | 2019-07-06 | |
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| ISSN | 0303-8300 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.743 | Times cited | Open Access | ||
| Notes | We would also like to thank James Morrison from the JamesEdits agency for proof reading and editing the article. | Approved | Most recent IF: NA | ||
| Call Number | ENM @ enm @c:irua:166591 | Serial | 6354 | ||
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| Author | Canossa, S.; Ji, Z.; Wuttke, S. | ||||
| Title | Circumventing Wear and Tear of Adaptive Porous Materials | Type | A1 Journal article | ||
| Year | 2020 | Publication | Advanced Functional Materials | Abbreviated Journal | Adv Funct Mater |
| Volume | Issue | Pages | 1908547 | ||
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The assessment of the architectural stability of molecular porous materials is not yet a common practice, but critical to their understanding and development. The conformational adaptation of porous materials to guest binding and other chemical dynamics poses a risk of architectural damage, leading to performance deterioration during their prolonged usage. The deformation of the framework backbone and the disconnection of building units are driven by chemical, mechanical, and thermal perturbations, and can be quantitatively described by the term connection completeness. Analytical means that can be used to measure this parameter are presented in order to provide a standard, practical protocol for evaluating architectural damage made to framework materials. Preventive and remedial strategies are proposed for enhancing the architectural integrity of frameworks without compromising their functional mechanisms, paving the way to the design of robust yet adaptive materials. In this way, the discussion on architectural stability is initiated, and readers are encouraged to carefully characterize molecular porous materials for a better understanding of their structure-property relationship. | ||||
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| Language | Wos |
000511238300001 | Publication Date | 2020-02-06 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 1616-301X | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 19 | Times cited | Open Access | OpenAccess | |
| Notes | Fonds Wetenschappelijk Onderzoek, 12ZV120N ; | Approved | Most recent IF: 19; 2020 IF: 12.124 | ||
| Call Number | EMAT @ emat @c:irua:166505 | Serial | 6387 | ||
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| Author | Litzius, K.; Leliaert, J.; Bassirian, P.; Rodrigues, D.; Kromin, S.; Lemesh, I.; Zazvorka, J.; Lee, K.-J.; Mulkers, J.; Kerber, N.; Heinze, D.; Keil, N.; Reeve, R.M.; Weigand, M.; Van Waeyenberge, B.; Schuetz, G.; Everschor-Sitte, K.; Beach, G.S.D.; Klaeui, M. | ||||
| Title | The role of temperature and drive current in skyrmion dynamics | Type | A1 Journal article | ||
| Year | 2020 | Publication | Nature Electronics | Abbreviated Journal | |
| Volume | 3 | Issue | 1 | Pages | 30-36 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Magnetic skyrmions are topologically stabilized nanoscale spin structures that could be of use in the development of future spintronic devices. When a skyrmion is driven by an electric current it propagates at an angle relative to the flow of current-known as the skyrmion Hall angle (SkHA)-that is a function of the drive current. This drive dependence, as well as thermal effects due to Joule heating, could be used to tailor skyrmion trajectories, but are not well understood. Here we report a study of skyrmion dynamics as a function of temperature and drive amplitude. We find that the skyrmion velocity depends strongly on temperature, while the SkHA does not and instead evolves differently in the low- and high-drive regimes. In particular, the maximum skyrmion velocity in ferromagnetic devices is limited by a mechanism based on skyrmion surface tension and deformation (where the skyrmion transitions into a stripe). Our mechanism provides a complete description of the SkHA in ferromagnetic multilayers across the full range of drive strengths, illustrating that skyrmion trajectories can be engineered for device applications. An analysis of skyrmion dynamics at different temperatures and electric drive currents is used to develop a complete description of the skyrmion Hall angle in ferromagnetic multilayers from the creep to the flow regime and illustrates that skyrmion trajectories can be engineered for device applications. | ||||
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000510860800012 | Publication Date | 2020-01-24 | |
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| ISSN | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | ||
| Impact Factor | Times cited | 11 | Open Access | ||
| Notes | ; ; | Approved | Most recent IF: NA | ||
| Call Number | UA @ admin @ c:irua:167863 | Serial | 6625 | ||
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| Author | Bafekry, A.; Akgenc, B.; Shayesteh, S.F.; Mortazavi, B. | ||||
| Title | Tunable electronic and magnetic properties of graphene/carbon-nitride van der Waals heterostructures | Type | A1 Journal article | ||
| Year | 2020 | Publication | Applied Surface Science | Abbreviated Journal | Appl Surf Sci |
| Volume | 505 | Issue | Pages | 144450-144459 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | In this paper, we explore the electronic properties of C3N, C3N4 and C4N3 and graphene (Gr) van der Waals heterostructures by conducing extensive first-principles calculations. The acquired results show that these heterostructures can show diverse electronic properties, such as the metal (Gr on C3N), semiconductor with narrow band gap (Gr on C3N4) and ferromagnetic-metal (Gr on C4N3). We furthermore explored the effect of vacancies, atom substitution, topological, antisite and Stone-Wales defects on the structural and electronic properties of considered heterostructures. Our results show that the vacancy defects introduce localized states near the Fermi level and create a local magnetic moment. The Gr/C3N heterostructures with the single and double vacancy defects exhibit a ferromagnetic-metal, while Stone-Wales defects show an indirect semiconductor with the band gap of 0.2 eV. The effects of adsorption and insertion of O, C, Be, Cr, Fe and Co atoms on the electronic properties of Gr/C3N have been also elaborately studied. Our results highlight that the electronic and magnetic properties of garphene/carbon-nitride lateral heterostructures can be effectively modified by point defects and impurities. | ||||
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000510846500052 | Publication Date | 2019-11-18 | |
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| ISSN | 0169-4332 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.7 | Times cited | 26 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 6.7; 2020 IF: 3.387 | ||
| Call Number | UA @ admin @ c:irua:167732 | Serial | 6638 | ||
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| Author | Sozen, Y.; Eren, I.; Ozen, S.; Yagmurcukardes, M.; Sahin, H. | ||||
| Title | Interaction of Ge with single layer GaAs : from Ge-island nucleation to formation of novel stable monolayers | Type | A1 Journal article | ||
| Year | 2020 | Publication | Applied Surface Science | Abbreviated Journal | Appl Surf Sci |
| Volume | 505 | Issue | Pages | 144218-7 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | In this study, reactivity of single-layer GaAs against Ge atoms is studied by means of ab initio density functional theory calculations. Firstly, it is shown that Ge atoms interact quite strongly with the GaAs layer which allows the formation of Ge islands while it hinders the growth of detached germanene monolayers. It is also predicted that adsorption of Ge atoms on GaAs single-layer lead to formation of two novel stable single-layer crystal structures, namely 1H-GaGeAs and 1H(A)-GaGeAs. Both the total energy optimizations and the calculated vibrational spectra indicate the dynamical stability of both single layer structures. Moreover, although both structures crystallize in 1H phase, 1H-GaGeAs and 1H(A)-GaGeAs exhibit distinctive vibrational features in their Raman spectra which is quite important for distinguishing the structures. In contrast to the semiconducting nature of single-layer GaAs, both polytypes of GaGeAs exhibit metallic behavior confirmed by the electronic band dispersions. Furthermore, the linear-elastic constants, in-plane stiffness and Poisson ratio, reveal the ultrasoft nature of the GaAs and GaGeAs structures and the rigidity of GaAs is found to be slightly enhanced via Ge adsorption. With their stable, ultra-thin and metallic properties, predicted single-layer GaGeAs structures can be promising candidates for nanoscale electronic and mechanical applications. | ||||
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000510846500026 | Publication Date | 2019-11-02 | |
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| ISSN | 0169-4332 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 6.7 | Times cited | Open Access | ||
| Notes | ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid eInfrastructure). H.S. acknowledges financial support from the Scientific and Technological Research Council of Turkey (TUBITAK) under the project number 117F095. H.S. acknowledges support from Turkish Academy of Sciences under the GEBIP program. This work is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ; | Approved | Most recent IF: 6.7; 2020 IF: 3.387 | ||
| Call Number | UA @ admin @ c:irua:167733 | Serial | 6548 | ||
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| Author | Zhang, L.; Zhang, Y.-Y.; Zha, G.-Q.; Milošević, M.V.; Zhou, S.-P. | ||||
| Title | Skyrmionic chains and lattices in s plus id superconductors | Type | A1 Journal article | ||
| Year | 2020 | Publication | Physical Review B | Abbreviated Journal | Phys Rev B |
| Volume | 101 | Issue | 6 | Pages | 064501 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We report characteristic vortex configurations in s + id superconductors with time-reversal symmetry breaking, exposed to magnetic field. A vortex in the s + id state tends to have an opposite phase winding between s- and d-wave condensates. We find that this peculiar feature together with the competition between s- and d-wave symmetry results in three distinct classes of vortical configurations. When either s or d condensate absolutely dominates, vortices form a conventional lattice. However, when one condensate is relatively dominant, vortices organize in chains that exhibit skyrmionic character, separating the chiral components of the s +/- id order parameter into domains within and outside the chain. Such skyrmionic chains are found stable even at high magnetic field. When s and d condensates have comparable strength, vortices split cores in two chiral components to form full-fledged skyrmions, i.e., coreless topological structures with an integer topological charge, organized in a lattice. We provide characteristic magnetic field distributions of all states, enabling their identification in, e.g., scanning Hall probe and scanning SQUID experiments. These unique vortex states are relevant for high-T-c cuprate and iron-based superconductors, where the relative strength of competing pairing symmetries is expected to be tuned by temperature and/or doping level, and can help distinguish s + is and s + id superconducting phases. | ||||
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000510745600005 | Publication Date | 2020-02-03 | |
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| ISSN | 2469-9969; 2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.7 | Times cited | 7 | Open Access | |
| Notes | ; The authors acknowledge useful discussions with Yong-Ping Zhang. This research was supported by the National Natural Science Foundation of China under Grants No. 61571277 and No. 61771298. L.-F.Z. and M.V.M. acknowledge support from Research Foundation-Flanders (FWO-Vlaanderen). ; | Approved | Most recent IF: 3.7; 2020 IF: 3.836 | ||
| Call Number | UA @ admin @ c:irua:166507 | Serial | 6605 | ||
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| Author | Bafekry, A.; Stampfl, C.; Akgenc, B.; Ghergherehchi, M. | ||||
| Title | Control of C3N4 and C4N3 carbon nitride nanosheets' electronic and magnetic properties through embedded atoms | Type | A1 Journal article | ||
| Year | 2020 | Publication | Physical Chemistry Chemical Physics | Abbreviated Journal | Phys Chem Chem Phys |
| Volume | 22 | Issue | 4 | Pages | 2249-2261 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | In the present work, the effect of various embedded atom impurities on tuning electronic and magnetic properties of C3N4 and C4N3 nanosheets have been studied using first-principles calculations. Our calculations show that C3N4 is a semiconductor and it exhibits extraordinary electronic properties such as dilute-magnetic semiconductor (with H, F, Cl, Be, V, Fe and Co); metal (with N, P, Mg and Ca), half-metal (with Li, Na, K, Al, Sc, Cr, Mn, and Cu) and semiconductor (with O, S, B, C, Si, Ti, Ni and Zn) with the band gaps in the range of 0.3-2.0 eV depending on the species of embedded atom. The calculated electronic properties reveal that C4N3 is a half-metal and it retains half-metallic character with embedded H, O, S, F, B, N, P, Be, Mg, Al, Sc, V, Fe, Ni and Zn atoms. The substitution of Cl, C, Cr and Mn atoms create ferromagnetic-metal character in the C4N3 nanosheet, embedded Co and Cu atoms exhibit a dilute-magnetic semiconductor nature, and embedded Ti atoms result in the system becoming a semiconductor. Therefore, our results reveal the fact that the band gap and magnetism can be modified or induced by various atom impurities, thus, offering effective possibilities to tune the electronic and magnetic properties of C3N4 and C4N3 nanosheets. | ||||
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000510729400042 | Publication Date | 2019-12-24 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 1463-9076; 1463-9084 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.3 | Times cited | 18 | Open Access | |
| Notes | ; This work has supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). B. Akgenc acknowledges financial support the Kirklareli University-BAP under the Project No 189 and TUBITAK ULAKBIM, High Performance and Grid Computing Center. ; | Approved | Most recent IF: 3.3; 2020 IF: 4.123 | ||
| Call Number | UA @ admin @ c:irua:166553 | Serial | 6476 | ||
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| Author | Anaf, W.; Cabal, A.; Robbe, M.; Schalm, O. | ||||
| Title | Real-time wood behaviour : the use of strain gauges for preventive conservation applications | Type | A1 Journal article | ||
| Year | 2020 | Publication | Sensors | Abbreviated Journal | |
| Volume | 20 | Issue | 1 | Pages | 305 |
| Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES) | ||||
| Abstract | Within the heritage field, the application of strain gauges on wood surfaces is a little-explored but inexpensive and effective method to analyse the environmental appropriateness of rooms for the wooden heritage collections they contain. This contribution proposes a wood sensor connected to a data logger to identify short moments with an elevated risk of harm. Two experiments were performed to obtain insights pertaining to the applicability of wood sensors to evaluate preservation conditions. (1) The representativeness of strain gauges on dummies was tested for their use in evaluating the preservation conditions of a range of wooden objects exposed to the same environment. For this, three situations were mimicked: a bare wood surface, a wood surface covered with a preparation layer, and a wood surface covered with a preparation and varnish layer. (2) The usability of strain gauges to monitor the wood behaviour in real-time measurements was tested with a monitoring campaign of almost two years in a church where a new heating system was installed. The results of both experiments are promising, and the authors encourage a broader application of strain gauges in the heritage field. | ||||
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000510493100305 | Publication Date | 2020-01-06 | |
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| ISSN | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | ||
| Impact Factor | Times cited | Open Access | |||
| Notes | ; This research was funded by the Belgian Federal Public Planning Service Science Policy (BELSPO) under project number BR/132/A6/AIRCHECQ. ; | Approved | Most recent IF: NA | ||
| Call Number | UA @ admin @ c:irua:166595 | Serial | 6592 | ||
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