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Author Tirez, K.; Vanhoof, C.; Bronders, J.; Seuntjens, P.; Bleux, N.; Berghmans, P.; De Brucker, N.; Vanhaecke, F.
Title Do ICP-MS based methods fulfill the EU monitoring requirements for the determination of elements in our environment? Type A1 Journal article
Year 2015 Publication Environmental science : processes & impacts Abbreviated Journal
Volume 17 Issue (down) 12 Pages 2034-2050
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Undoubtedly, the most important advance in the environmental regulatory monitoring of elements of the last decade is the widespread introduction of ICP-mass spectrometry (ICP-MS) due to standards developed by the European Committee for Standardization. The versatility of ICP-MS units as a tool for the determination of major, minor and trace elements (Al, As, Ba, Ca, Cd, Co, Cr, Cu, Fe, Hg, K, Mg, Mn, Mo, Na, Ni, P, Pb, Sb, Se, Sn, Ti, V and Zn) in surface water, groundwater, river sediment, topsoil, subsoil, fine particulates and atmospheric deposition is illustrated in this paper. Ranges of background concentrations for major, minor and trace elements obtained from a regional case study (Flanders, Belgium) are summarized for all of these environmental compartments and discussed in the context of a harmonized implementation of European regulatory monitoring requirements. The results were derived from monitoring programs in support of EU environmental quality directives and were based on a selection of (non-polluted) background locations. Because of the availability of ICP-MS instruments nowadays, it can be argued that the main hindrance for meeting the European environmental monitoring requirements is no longer the technical feasibility of analysis at these concentration levels, but rather (i) potential contamination during sampling and analysis, (ii) too limited implementation of quality control programs, validating the routinely applied methods (including sampling and low level verification) and (iii) lack of harmonization in reporting of the chemical environmental status between the individual member states.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000365915600005 Publication Date 2015-10-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7887; 2050-7895 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:130316 Serial 7821
Permanent link to this record
 
 
Author De Paepe, J.; Clauwaert, P.; Gritti, M.C.; Ganigue, R.; Sas, B.; Vlaeminck, S.E.; Rabaey, K.
Title Electrochemical in situ pH control enables chemical-free full urine nitrification with concomitant nitrate extraction Type A1 Journal article
Year 2021 Publication Environmental Science & Technology Abbreviated Journal Environ Sci Technol
Volume 55 Issue (down) 12 Pages 8287-8298
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Urine is a valuable resource for nutrient recovery. Stabilization is, however, recommended to prevent urea hydrolysis and the associated risk for ammonia volatilization, uncontrolled precipitation, and malodor. This can be achieved by alkalinization and subsequent biological conversion of urea and ammonia into nitrate (nitrification) and organics into CO2. Yet, without pH control, the extent of nitrification is limited as a result of insufficient alkalinity. This study explored the feasibility of an integrated electrochemical cell to obtain on-demand hydroxide production through water reduction at the cathode, compensating for the acidification caused by nitritation, thereby enabling full nitrification. To deal with the inherent variability of the urine influent composition and bioprocess, the electrochemical cell was steered via a controller, modulating the current based on the pH in the bioreactor. This provided a reliable and innovative alternative to base addition, enabling full nitrification while avoiding the use of chemicals, the logistics associated with base storage and dosing, and the associated increase in salinity. Moreover, the electrochemical cell could be used as an in situ extraction and concentration technology, yielding an acidic concentrated nitrate-rich stream. The make-up of the end product could be tailored by tweaking the process configuration, offering versatility for applications on Earth and in space.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000663939900052 Publication Date 2021-06-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0013-936x; 1520-5851 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.198 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 6.198
Call Number UA @ admin @ c:irua:179779 Serial 7862
Permanent link to this record
 
 
Author Osella, S.; Knippenberg, S.
Title Laurdan as a molecular rotor in biological environments Type A1 Journal article
Year 2019 Publication ACS applied bio materials Abbreviated Journal
Volume 2 Issue (down) 12 Pages 5769-5778
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Laurdan is one of the most used fluorescent probes for lipid membrane phase recognition. Despite its wide use for optical techniques and its versatility as a solvatochromic probe, little is known regarding its use as molecular rotor, for which clear evidence is found in the current study. Although recent computational and experimental studies suggest the existence of two stable conformations of laurdan in different membrane phases, it is difficult to experimentally probe their prevalence. By means of multiscale computational approaches, we prove now that this information can be obtained through the optical properties of the two conformers, ranging from one-photon absorption over two-photon absorption to the first hyperpolarizability. Fluorescence decay and anisotropy analyses are performed as well and stress the importance of laurdan's conformational versatility. As a molecular rotor and with reference to the distinct properties of its conformers, laurdan can be used to probe biochemical processes that change the lipid orders in cell membranes.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000616372300047 Publication Date 2019-11-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2576-6422 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:180356 Serial 8166
Permanent link to this record
 
 
Author Van Grieken, R.; de Bruin, M.
Title Nomenclature for radioanalytical chemistry (IUPAC Recommendations 1994) Type A1 Journal article
Year 1994 Publication Pure and applied chemistry Abbreviated Journal
Volume 66 Issue (down) 12 Pages 2513-2526
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Nearly 200 terms commonly used in radioanalytical chemistry are unambiguously defined. The list is partially based on an earlier IUPAC-glossary (Pure Appl. Chem. 54 (1982) 1533-1554), but some modifications have been made, terms related to nuclear physics and technology have not been reconsidered and numerous new entries from the realm of radiometric analysis, radioimmunoassay and related techniques have been included.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1994PZ23000010 Publication Date 2007-10-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0033-4545 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:9506 Serial 8312
Permanent link to this record
 
 
Author Alloul, A.; Cerruti, M.; Adamczyk, D.; Weissbrodt, D.G.; Vlaeminck, S.E.
Title Operational strategies to selectively produce purple bacteria for microbial protein in raceway reactors Type A1 Journal article
Year 2021 Publication Environmental Science & Technology Abbreviated Journal Environ Sci Technol
Volume 55 Issue (down) 12 Pages 8278-8286
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Purple non-sulfur bacteria (PNSB) show potential for microbial protein production on wastewater as animal feed. They offer good selectivity (i.e., low microbial diversity and high abundance of one species) when grown anaerobically in the light. However, the cost of closed anaerobic photobioreactors is prohibitive for protein production. Although open raceway reactors are cheaper, their feasibility to selectively grow PNSB is thus far unexplored. This study developed operational strategies to boost PNSB abundance in the biomass of a raceway reactor fed with volatile fatty acids. For a flask reactor run at a 2 day sludge retention time (SRT), matching the chemical oxygen demand (COD) loading rate to the removal rate in the light period prevented substrate availability during the dark period and increased the PNSB abundance from 50-67 to 88-94%. A raceway reactor run at a 2 day SRT showed an increased PNSB abundance from 14 to 56% when oxygen supply was reduced (no stirring at night). The best performance was achieved at the highest surface-to-volume ratio (10 m(2) m(-3) increased light availability) showing productivities up to 0.2 g protein L-1 day(-1) and a PNSB abundance of 78%. This study pioneered in PNSB-based microbial protein production in raceway reactors, yielding high selectivity while avoiding the combined availability of oxygen, COD, and darkness.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000663939900051 Publication Date 2021-06-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0013-936x; 1520-5851 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.198 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 6.198
Call Number UA @ admin @ c:irua:179768 Serial 8334
Permanent link to this record
 
 
Author Spolnik, Z.; Belikov, K.; van Meel, K.; Adriaenssens, E.; de Roeck, F.; Van Grieken, R.
Title Optimization of measurement conditions of an energy dispersive X-ray fluorescence spectrometer with high-energy polarized beam excitation for analysis of aerosol filters Type A1 Journal article
Year 2005 Publication Applied spectroscopy Abbreviated Journal
Volume 59 Issue (down) 12 Pages 1465-1469
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000234187500004 Publication Date 2005-12-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-7028 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:55835 Serial 8339
Permanent link to this record
 
 
Author Van Tendeloo, M.; Bundervoet, B.; Carlier, N.; Van Beeck, W.; Mollen, H.; Lebeer, S.; Colsen, J.; Vlaeminck, S.E.
Title Piloting carbon-lean nitrogen removal for energy-autonomous sewage treatment Type A1 Journal article
Year 2021 Publication Environmental Science-Water Research & Technology Abbreviated Journal Environ Sci-Wat Res
Volume 7 Issue (down) 12 Pages 2268-2281
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Energy-autonomous sewage treatment can be achieved if nitrogen (N) removal does not rely on organic carbon (∼chemical oxygen demand, COD), so that a maximum of the COD can be redirected to energy recovery. Shortcut N removal technologies such as partial nitritation/anammox and nitritation/denitritation are therefore essential, enabling carbon- and energy-lean nitrogen removal. In this study, a novel three-reactor pilot design was tested and consisted of a denitrification, an intermittent aeration, and an anammox tank. A vibrating sieve was added for differential sludge retention time (SRT) control. The 13 m3 pilot was operated on pre-treated sewage (A-stage effluent) at 12–24 °C. Selective suppression of unwanted nitrite-oxidizing bacteria over aerobic ammonium-oxidizing bacteria was achieved with strict floccular SRT management combined with innovative aeration control, resulting in a minimal nitrate production ratio of 17 ± 10%. Additionally, anoxic ammonium-oxidizing bacteria (AnAOB) activity could be maintained in the reactor for at least 150 days because of long granular SRT management and the anammox tank. Consequently, the COD/N removal ratio of 2.3 ± 0.7 demonstrated shortcut N removal almost three times lower than the currently applied nitrification/denitrification technology. The effluent total N concentrations of 17 ± 3 mg TN per L (at 21 ± 1 °C) and 17 ± 6 mg TN per L (at 15 ± 1 °C) were however too high for application at the sewage treatment plant Nieuwveer (Breda, The Netherlands). Corresponding N removal efficiencies were 52 ± 12% and 37 ± 21%, respectively. Further development should focus on redirecting more nitrite to AnAOB in the B-stage, exploring effluent-polishing options, or cycling nitrate for increased A-stage denitrification.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000714159900001 Publication Date 2021-10-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2053-1400 ISBN Additional Links UA library record; WoS full record
Impact Factor 2.817 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.817
Call Number UA @ admin @ c:irua:183347 Serial 8383
Permanent link to this record
 
 
Author Desmet, N.J.S.; van Belleghem, S.; Seuntjens, P.; Bouma, T.J.; Buis, K.; Meire, P.
Title Quantification of the impact of macrophytes on oxygen dynamics and nitrogen retention in a vegetated lowland river Type A1 Journal article
Year 2011 Publication Physics and chemistry of the earth, parts A/B/C Abbreviated Journal
Volume 36 Issue (down) 12 Pages 479-489
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract When macrophytes are growing in the river, the vegetation induces substantial changes to the water quality. Some effects are the result of direct interactions, such as photosynthetic activity or nutrient uptake, whereas others may be attributed to indirect effects of the water plants on hydrodynamics and river processes. This research focused on the direct effect of macrophytes on oxygen dynamics and nutrient cycling. Discharge, macrophyte biomass density, basic water quality, dissolved oxygen and nutrient concentrations were in situ monitored throughout the year in a lowland river (Nete catchment, Belgium). In addition, various processes were investigated in more detail in multiple ex situ experiments. The field and aquaria measurement results clearly demonstrated that aquatic plants can exert considerable impact on dissolved oxygen dynamics in a lowland river. When the river was dominated by macrophytes, dissolved oxygen concentrations varied from 5 to 10 mg l−1. Considering nutrient retention, it was shown that the investigated in-stream macrophytes could take up dissolved inorganic nitrogen (DIN) from the water column at rates of View the MathML source. And DIN fluxes towards the vegetation were found to vary from 0.03 to 0.19 g N ha−1 h−1 in spring and summer. Compared to the measured changes in DIN load over the river stretch, it means that about 313% of the DIN retention could be attributed to direct nitrogen uptake from the water by macrophytes. Yet, the role of macrophytes in rivers should not be underrated as aquatic vegetation also exerts considerable indirect effects that may have a greater impact than the direct fixation of nutrients into the plant biomass.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000295862600001 Publication Date 2008-06-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1474-7065 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:92439 Serial 8436
Permanent link to this record
 
 
Author Horemans, B.; Van Grieken, R.
Title Speciation and diurnal variation of thoracic, fine thoracic and sub-micrometer airborne particulate matter at naturally ventilated office environments Type A1 Journal article
Year 2010 Publication Atmospheric environment : an international journal Abbreviated Journal
Volume 44 Issue (down) 12 Pages 1497-1505
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Thoracic (PM10), fine thoracic (PM2.5) and sub-micrometer (PM1) airborne particulate matter was sampled during day and night. In total, about 100 indoor and outdoor samples were collected for each fraction at ten different office environments. Energy-dispersive X-ray fluorescence spectrometry and ion chromatography were applied for the quantification of some major and minor elements and ions in the collected aerosols. During daytime, mass concentrations were in the ranges: 1129, 8.124, and 6.618 μg m−3, with averages of 20 ± 1, 15.0 ± 0.9, and 11.0 ± 0.8 μg m−3, respectively. At night, mass concentrations were found to be significantly lower for all fractions. Indoor PM1 concentrations exceeded the corresponding outdoor levels during office hours and were thought to be elevated by office printers. Particles with diameters between 1 and 2.5 μm and 2.5 and 10 μm were mainly associated with soil dust elements and were clearly subjected to distinct periods of settling/resuspension. Indoor NO3 − levels were found to follow specific microclimatic conditions at the office environments, while daytime levels of sub-micrometer Cl− were possibly elevated by the use of Cl-containing cleaning products. Indoor carbon black concentrations were sometimes as high as 22 μg m−3 and were strongly correlated with outdoor traffic conditions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000276681100003 Publication Date 2010-01-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1352-2310 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:81242 Serial 8569
Permanent link to this record
 
 
Author Huang, W.; Li, Y.; Niklas, K.J.; Gielis, J.; Ding, Y.; Cao, L.; Shi, P.
Title A superellipse with deformation and its application in describing the cross-sectional shapes of a square bamboo Type A1 Journal article
Year 2020 Publication Symmetry-Basel Abbreviated Journal Symmetry-Basel
Volume 12 Issue (down) 12 Pages 2073
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Many cross-sectional shapes of plants have been found to approximate a superellipse rather than an ellipse. Square bamboos, belonging to the genus Chimonobambusa (Poaceae), are a group of plants with round-edged square-like culm cross sections. The initial application of superellipses to model these culm cross sections has focused on Chimonobambusa quadrangularis (Franceschi) Makino. However, there is a need for large scale empirical data to confirm this hypothesis. In this study, approximately 750 cross sections from 30 culms of C. utilis were scanned to obtain cross-sectional boundary coordinates. A superellipse exhibits a centrosymmetry, but in nature the cross sections of culms usually deviate from a standard circle, ellipse, or superellipse because of the influences of the environment and terrain, resulting in different bending and torsion forces during growth. Thus, more natural cross-sectional shapes appear to have the form of a deformed superellipse. The superellipse equation with a deformation parameter (SEDP) was used to fit boundary data. We find that the cross-sectional shapes (including outer and inner rings) of C. utilis can be well described by SEDP. The adjusted root-mean-square error of SEDP is smaller than that of the superellipse equation without a deformation parameter. A major finding is that the cross-sectional shapes can be divided into two types of superellipse curves: hyperellipses and hypoellipses, even for cross sections from the same culm. There are two proportional relationships between ring area and the product of ring length and width for both the outer and inner rings. The proportionality coefficients are significantly different, as a consequence of the two different superellipse types (i.e., hyperellipses and hypoellipses). The difference in the proportionality coefficients between hyperellipses and hypoellipses for outer rings is greater than that for inner rings. This work informs our understanding and quantifying of the longitudinal deformation of plant stems for future studies to assess the influences of the environment on stem development. This work is also informative for understanding the deviation of natural shapes from a strict rotational symmetry.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000602546300001 Publication Date 2020-12-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2073-8994 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.7 Times cited Open Access
Notes Approved Most recent IF: 2.7; 2020 IF: 1.457
Call Number UA @ admin @ c:irua:174472 Serial 8622
Permanent link to this record
 
 
Author Abakumov, M.A.; Semkina, A.S.; Skorikov, A.S.; Vishnevskiy, D.A.; Ivanova, A.V.; Mironova, E.; Davydova, G.A.; Majouga, A.G.; Chekhonin, V.P.
Title Toxicity of iron oxide nanoparticles : size and coating effects Type A1 Journal article
Year 2018 Publication Journal of biochemical and molecular toxicology Abbreviated Journal
Volume 32 Issue (down) 12 Pages e22225
Keywords A1 Journal article; Pharmacology. Therapy; Electron microscopy for materials research (EMAT)
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.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000452532300008 Publication Date 2018-10-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1095-6670 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:156269 Serial 8684
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 (down) 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).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
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 Szalóki, I.; Osán, J.; Van Grieken, R.E.
Title X-ray spectrometry Type A1 Journal article
Year 2006 Publication Analytical chemistry Abbreviated Journal
Volume 78 Issue (down) 12 Pages 4069-4096
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000238252600016 Publication Date 2006-06-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:58857 Serial 8771
Permanent link to this record
 
 
Author Szalóki, I.; Osán, J.; Van Grieken, R.E.
Title X-ray spectrometry Type A1 Journal article
Year 2004 Publication Analytical chemistry Abbreviated Journal
Volume 76 Issue (down) 12 Pages 3445-3470
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000222011100014 Publication Date 2004-06-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:46259 Serial 8772
Permanent link to this record
 
 
Author Szalóki, I.; Török, S.B.; Injuk, J.; Van Grieken, R.E.
Title X-ray spectrometry Type A1 Journal article
Year 2002 Publication Analytical chemistry Abbreviated Journal
Volume 74 Issue (down) 12 Pages 2895-2918
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000176253700020 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:39517 Serial 8773
Permanent link to this record
 
 
Author Szalóki, I.; Török, S.B.; Ro, C.-U.; Injuk, J.; Van Grieken, R.E.
Title X-ray spectrometry Type A1 Journal article
Year 2000 Publication Analytical chemistry Abbreviated Journal
Volume 72 Issue (down) 12 Pages 211-233
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000087661500018 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:27850 Serial 8774
Permanent link to this record
 
 
Author Markowicz, A.A.; Van Grieken, R.E.
Title X-ray spectrometry Type A1 Journal article
Year 1990 Publication Analytical chemistry Abbreviated Journal
Volume 62 Issue (down) 12 Pages 101r-113r
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2006-11-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:116527 Serial 8779
Permanent link to this record
 
 
Author Markowicz, A.A.; Van Grieken, R.E.
Title X-ray spectrometry Type A1 Journal article
Year 1988 Publication Analytical chemistry Abbreviated Journal
Volume 60 Issue (down) 12 Pages 28r-42r
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2005-03-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:116525 Serial 8780
Permanent link to this record
 
 
Author Marchetti, A.; Gori, A.; Ferretti, A.M.; Esteban, D.A.; Bals, S.; Pigliacelli, C.; Metrangolo, P.
Title Templated Out‐of‐Equilibrium Self‐Assembly of Branched Au Nanoshells (Small 12/2023) Type A1 Journal Article
Year 2023 Publication Small Abbreviated Journal Small
Volume 19 Issue (down) 12 Pages
Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
Abstract Out-of-equilibrium self-assembly of metal nanoparticles (NPs) has been devised using different

types of strategies and fuels, but the achievement of finite 3D structures with a controlled

morphology through this assembly mode is still rare. Here we used a spherical peptide-gold

superstructure (PAuSS) as a template to control the out-of-equilibrium self-assembly of Au NPs,

obtaining a transient 3D branched Au-nanoshell (BAuNS) stabilized by sodium dodecyl sulphate

(SDS). The BAuNS dismantled upon concentration gradient equilibration over time in the solution,

leading to NPs disassembly. Notably, BAuNS assembly and disassembly favoured temporary

interparticle plasmonic coupling, leading to a remarkable oscillation of their optical properties.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2023-03-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1613-6810 ISBN Additional Links UA library record
Impact Factor 13.3 Times cited Open Access Not_Open_Access
Notes P.M. is grateful to the European Research Council (ERC) for the Starting Grant ERC-2012- StG_20111012 FOLDHALO (Grant Agreement no. 307108) and the Proof-of-Concept Grant ERC-2017-PoC MINIRES (Grant Agreement no.789815). A. M. and P. M. are thankful to the project Hydrogex funded by Cariplo Foundation (grant no. 2018-1720). D.A.E. and S.B. acknowledges financial support from ERC Consolidator Grant Number 815128 REALNANO and Grant Agreement No. 731019 (EUSMI). Approved Most recent IF: 13.3; 2023 IF: 8.643
Call Number EMAT @ emat @c:irua:200859 Serial 8960
Permanent link to this record
 
 
Author Claes, J.; Partoens, B.; Lamoen, D.
Title Decoupled DFT-1/2 method for defect excitation energies Type A1 Journal Article
Year 2023 Publication Physical Review B Abbreviated Journal Phys. Rev. B
Volume 108 Issue (down) 12 Pages 125306
Keywords A1 Journal Article; Condensed Matter Theory (CMT) ;
Abstract The DFT-1/2 method is a band-gap correction with GW precision at a density functional theory (DFT) computational cost. The method was also extended to correct the gap between defect levels, allowing for the calculation of optical transitions. However, this method fails when the atomic character of the occupied and unoccupied defect levels is similar as we illustrate by two examples, the tetrahedral hydrogen interstitial and the negatively charged vacancy in diamond. We solve this problem by decoupling the effect of the occupied and unoccupied defect levels and call this the decoupled DFT-1/2 method for defects.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001089302800003 Publication Date 2023-09-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.7 Times cited Open Access Not_Open_Access
Notes This work was supported by the FWO (Research Foundation-Flanders), Project No. G0D1721N. This work was performed in part using HPC resources from the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government department EWI (Economie, Wetenschap & Innovatie). Approved Most recent IF: 3.7; 2023 IF: 3.836
Call Number CMT @ cmt @c:irua:201287 Serial 8976
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Author Duran, T.A.; Yayak, Y.O.; Aydin, H.; Peeters, F.M.; Yagmurcukardes, M.
Title A perspective on the state-of-the-art functionalized 2D materials Type A1 Journal article
Year 2023 Publication Journal of applied physics Abbreviated Journal
Volume 134 Issue (down) 12 Pages 120901-120929
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Two-dimensional (2D) ultra-thin materials are more crucial than their bulk counterparts for the covalent functionalization of their surface owing to atomic thinness, large surface-to-volume ratio, and high reactivity of surface atoms having unoccupied orbitals. Since the surface of a 2D material is composed of atoms having unoccupied orbitals, covalent functionalization enables one to improve or precisely modify the properties of the ultra-thin materials. Chemical functionalization of 2D materials not only modifies their intrinsic properties but also makes them adapted for nanotechnology applications. Such engineered materials have been used in many different applications with their improved properties. In the present Perspective, we begin with a brief history of functionalization followed by the introduction of functionalized 2D materials. Our Perspective is composed of the following sections: the applications areas of 2D graphene and graphene oxide crystals, transition metal dichalcogenides, and in-plane anisotropic black phosphorus, all of which have been widely used in different nanotechnology applications. Finally, our Perspectives on the future directions of applications of functionalized 2D materials are given. The present Perspective sheds light on the current progress in nanotechnological applications of engineered 2D materials through surface functionalization.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001087770500008 Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.2 Times cited Open Access
Notes Approved Most recent IF: 3.2; 2023 IF: 2.068
Call Number UA @ admin @ c:irua:201281 Serial 9000
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Author Zamani, M.; Yapicioglu, H.; Kara, A.; Sevik, C.
Title Statistical analysis of porcelain tiles' technical properties : full factorial design investigation on oxide ratios and temperature Type A1 Journal article
Year 2023 Publication Physica scripta Abbreviated Journal
Volume 98 Issue (down) 12 Pages 125953-18
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract This study focuses on optimizing the composition and firing temperature of porcelain tiles using statistical analysis techniques. A full factorial design, including model adequacy checking, analysis of variance, Pareto charts, interaction plots, regression model, and response optimizer is employed. The key factors were the Seger ratios of SiO2/Al2O3, Na2O/K2O, MgO/CaO, and firing temperature. The response variables investigated were bulk density, water absorption, linear shrinkage, coefficient of thermal expansion (at 500 degrees C), and strength. The statistical analysis revealed highly significant results, which were further validated, confirming their reliability for practical use in the production of porcelain tiles. The study demonstrated the effectiveness of utilizing Seger formulas and properties of typical raw materials to accurately predict the final properties of ceramic tiles. By employing SiO2/Al2O3 = 5.2, Na2O/K2O = 1.50, MgO/CaO = 3.0, and firing temperature of 1180 degrees C, optimized properties, such as maximum strength, maximum bulk density, and minimum water absorption, was achieved with a composite desirability of 0.9821.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001105879800001 Publication Date 2023-11-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-8949; 1402-4896 ISBN Additional Links UA library record; WoS full record
Impact Factor 2.9 Times cited Open Access
Notes Approved Most recent IF: 2.9; 2023 IF: 1.28
Call Number UA @ admin @ c:irua:202033 Serial 9097
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Author Huygh, S.; Neyts, E.C.
Title Adsorption of C and CHx radicals on anatase (001) and the influence of oxygen vacancies Type A1 Journal article
Year 2015 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 119 Issue (down) 119 Pages 4908-4921
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The adsorption of C and CHx radicals on anatase (001) was studied using DFT within the generalized gradient approximation using the Perde-Burke-Ernzerhof (PBE) functional. We have studied the influence of oxygen vacancies in and at the surface on the adsorption properties of the radicals. For the oxygen vacancies in anatase (001), the most stable vacancy is located at the surface. For this vacancy, the maximal adsorption strength of C and CH decreases compared to the adsorption on the stoichiometric surface, but it increases for CH2 and CH3. If an oxygen vacancy is present in the first subsurface layer, the maximal adsorption strength increases for C, CH, CH2, and CH3. When the vacancy is present in the next subsurface layer, we find that only the CH3 adsorption is enhanced, while the maximal adsorption energies for the other radical species decrease. Not only does the precise location of the oxygen vacancy determine the maximal adsorption interaction, it also influences the adsorption strengths of the radicals at different surface configurations. This determines the probability of finding a certain adsorption configuration at the surface, which in turn influences the possible surface reactions. We find that C preferentially adsorbs far away from the oxygen vacancy, while CH2 and CH3 adsorb preferentially at the oxygen vacancy site. A fraction of CH partially adsorbs at the oxygen vacancy, and another fraction adsorbs further away from the vacancy.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000350840700052 Publication Date 2015-02-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 13 Open Access
Notes Approved Most recent IF: 4.536; 2015 IF: 4.772
Call Number c:irua:124909 Serial 63
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Author Quan Manh, P.; Pourtois, G.; Swerts, J.; Pierloot, K.; Delabie, A.
Title Atomic layer deposition of Ruthenium on Ruthenium surfaces : a theoretical study Type A1 Journal article
Year 2015 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 119 Issue (down) 119 Pages 6592-6603
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Atomic, layer deposition,(ALD of ruthenium using two ruthenium precursors, i.e., Ru(C5H5)(2) (RuCp2) and Ru(C5H5)(C4H4N) (RuCpPy), is studied using density functional theory. By investigating the reaction mechanisms On bare ruthenium surfaces, i.e., (001), (101), and (100), and H-terminated surfaces, an atomistic insight in the Ru ALD is provided. The calculated results show that on the Ru surfaces both RuCp2 and RuCpPy an undergo dehydrogenation and ligand dissociation reactions. RuCpPy is more reactive than RuCp2. By forming a, strong, bond between N of Py and Ru of the surface, RuCpPy can easily chemisorb on the surfaces. The reactions of RuCp2,On the Surfaces are less favorable the adsorption is not strong enough This could be a,factor contributing to the higher growth-per-cycle of Ru using RuCpPy, as observed experimentally. By Studying, the adsorption on H-terminated Ru surfaces, We showed that H Can prevent the adsorption of the precursors, thus inhibiting the growth of Ru. Our calculations indicate that the H content on the surface can have an impact on the growth-per-cycle. Finally, our simulations also demonstrate large impacts of the surface structure on the reaction mechanisms. Of the three surfaces, the (100) surface, which is the less stable and has a zigzag surface structure, is also the most reactive one.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000351970800015 Publication Date 2015-03-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 10 Open Access
Notes Approved Most recent IF: 4.536; 2015 IF: 4.772
Call Number c:irua:125544 Serial 171
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Author Kato, T.; Neyts, E.C.; Abiko, Y.; Akama, T.; Hatakeyama, R.; Kaneko, T.
Title Kinetics of energy selective Cs encapsulation in single-walled carbon nanotubes for damage-free and position-selective doping Type A1 Journal article
Year 2015 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 119 Issue (down) 119 Pages 11903-11908
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A method has been developed for damage-free cesium (Cs) encapsulation within single-walled carbon nanotubes (SWNTs) with fine position selectivity. Precise energy tuning of Cs-ion irradiation revealed that there is a clear energy window (2060 eV) for the efficient encapsulation of Cs through the hexagonal network of SWNT sidewalls without causing significant damage. This minimum energy threshold of Cs-ion encapsulation (∼20 eV) matches well with the value obtained by ab initio simulation (∼22 eV). Furthermore, position-selective Cs encapsulation was carried out, resulting in the successful formation of pn-junction SWNT thin films with excellent environmental stability.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000355495600072 Publication Date 2015-05-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 3 Open Access
Notes Approved Most recent IF: 4.536; 2015 IF: 4.772
Call Number c:irua:125928 Serial 1760
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Author De Bie, C.; van Dijk, J.; Bogaerts, A.
Title The Dominant Pathways for the Conversion of Methane into Oxygenates and Syngas in an Atmospheric Pressure Dielectric Barrier Discharge Type A1 Journal article
Year 2015 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 119 Issue (down) 119 Pages 22331-22350
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A one-dimensional fluid model for a dielectric barrier discharge in CH4/O2 and CH4/CO2 gas mixtures is developed. The model describes the gas-phase chemistry for partial oxidation and for dry reforming of methane. The spatially averaged densities of the various plasma species are presented as a function of time and initial gas mixing ratio. Besides, the conversion of the inlet gases and the selectivities of the reaction products are calculated. Syngas, higher hydrocarbons, and higher oxygenates are typically found to be important reaction products. Furthermore, the main underlying reaction pathways for the formation of syngas, methanol, formaldehyde, and other higher oxygenates are determined.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000362385700010 Publication Date 2015-09-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 46 Open Access
Notes This work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the Universiteit Antwerpen. The authors also acknowledge financial support from the IAP/7 (Interuniversity Attraction Pole) program “PSI-Physical Chemistry of Plasma- Surface Interactions” by the Belgian Federal Office for Science Policy (BELSPO) and from the Fund for Scientific Research Flanders (FWO). Approved Most recent IF: 4.536; 2015 IF: 4.772
Call Number c:irua:128774 Serial 3960
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Author Nicholls, D.; Li, R.R.; Ware, B.; Pansegrau, C.; Çakir, D.; Hoffmann, M.R.; Oncel, N.
Title Scanning tunneling microscopy and density functional theory study on zinc(II)-phthalocyanine tetrasulfonic acid on bilayer epitaxial graphene on silicon carbide(0001) Type A1 Journal article
Year 2015 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 119 Issue (down) 119 Pages 9845-9850
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Zinc(II)-phthalocyanine tetrasulfonic acid (Zn-PcS) molecules physisorbed on bilayer epitaxial graphene on silicon carbide (SiC(0001)) were studied by using scanning tunneling microscopy/spectroscopy (STM/STS) and density functional theory (DFT). Two different methods were used to deposit Zn-PcS molecules and regardless of the method being used, the surface coverage stayed very low indicating the weakness of surface-molecule interaction. STS measurements revealed that derivative of tunneling current with respect to voltage (dI/dV) measured on Zn-PcS molecules did not exhibit the characteristic dip observed on dI/dV curves of pristine bilayer epitaxial graphene. DFT calculations show that the energy of the lowest unoccupied molecular orbital (LUMO) of the Zn-PcS molecule is below the Dirac point of graphene which enhances local density of states (LDOS). We attribute the disappearance of the dip in the dI/dV curves measured on the Zn-PcS/bilayer system to the LUMO of Zn-PcS. Charge density calculations along Zn-PcS/graphene interface reveal that there is a small charge transfer from graphene to the molecule. Calculated adsorption energy (3.13 eV) of the molecule is notably low and is consistent with the observed low surface coverage at room temperature.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000354339000020 Publication Date 2015-04-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 3 Open Access
Notes ; We gratefully acknowledge the NSF (Grant Nos.: DMR-1306101, EPS-814442, and EPS-1354366) for financial support. ; Approved Most recent IF: 4.536; 2015 IF: 4.772
Call Number c:irua:126370 Serial 2947
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Author Esfahani; Leenaerts, O.; Sahin, H.; Partoens, B.; Peeters, F.M.
Title Structural transitions in monolayer MOS2 by lithium adsorption Type A1 Journal article
Year 2015 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 119 Issue (down) 119 Pages 10602-10609
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Based on first-principles calculations, we study the structural stability of the H and T phases of monolayer MoS2 upon Li doping. Our calculations demonstrate that it is possible to stabilize a distorted T phase of MoS2 over the H phase through adsorption of Li atoms on the MoS2 surface. Through molecular dynamics and phonon calculations, we show that the T phase of MoS2 is dynamically unstable and undergoes considerable distortions. The type of distortion depends on the concentration of adsorbed Li atoms and changes from zigzag-like to diamond-like when increasing the Li doping. There exists a substantial energy barrier to transform the stable H phase to the distorted T phases, which is considerably reduced by increasing the concentration of Li atoms. We show that it is necessary that the Li atoms adsorb on both sides of the MoS2 monolayer to reduce the barrier sufficiently. Two processes are examined that allow for such two-sided adsorption, namely, penetration through the MoS2 layer and diffusion over the MoS2 surface. We show that while there is only a small barrier of 0.24 eV for surface diffusion, the amount of energy needed to pass through a pure MoS2 layer is of the order of similar or equal to 2 eV. However, when the MoS2 layer is covered with Li atoms the amount of energy that Li atoms should gain to penetrate the layer is drastically reduced and penetration becomes feasible.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000354912200051 Publication Date 2015-04-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 96 Open Access
Notes ; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl) and the Methusalem program of the Flemish government. H. S is supported by an FWO Pegasus-Long Marie Curie fellowship. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government department EWI. ; Approved Most recent IF: 4.536; 2015 IF: 4.772
Call Number c:irua:126409 Serial 3270
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Author Heijkers, S.; Snoeckx, R.; Kozák, T.; Silva, T.; Godfroid, T.; Britun, N.; Snyders, R.; Bogaerts, A.
Title CO2 conversion in a microwave plasma reactor in the presence of N2 : elucidating the role of vibrational levels Type A1 Journal article
Year 2015 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 119 Issue (down) 119 Pages 12815-12828
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A chemical kinetics model is developed for a CO2/N2 microwave plasma, focusing especially on the vibrational levels of both CO2 and N2. The model is used to calculate the CO2 and N2 conversion as well as the energy efficiency of CO2 conversion for different power densities and for N2 fractions in the CO2/N2 gas mixture ranging from 0 to 90%. The calculation results are compared with measurements, and agreements within 23% and 33% are generally found for the CO2 conversion and N2 conversion, respectively. To explain the observed trends, the destruction and formation processes of both CO2 and N2 are analyzed, as well as the vibrational distribution functions of both CO2 and N2. The results indicate that N2 contributes in populating the lower asymmetric levels of CO2, leading to a higher absolute CO2 conversion upon increasing N2 fraction. However, the effective CO2 conversion drops because there is less CO2 initially present in the gas mixture; thus, the energy efficiency also drops with rising N2 fraction.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000356317500005 Publication Date 2015-05-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 56 Open Access
Notes Approved Most recent IF: 4.536; 2015 IF: 4.772
Call Number c:irua:126325 Serial 3523
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Author Kang, J.; Sahin, H.; Peeters, F.M.
Title Tuning carrier confinement in the MoS2/WS2 lateral heterostructure Type A1 Journal article
Year 2015 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 119 Issue (down) 119 Pages 9580-9586
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract To determine and control the spatial confinement of charge carriers is of importance for nanoscale optoelectronic device applications. Using first-principles calculations, we investigate the tunability of band alignment and Charge localization in lateral and combined lateral vertical heterostructures of MoS2 and WS2. First, we Show that a type-II to type-I band alignment transition takes place when tensile strain is applied on the WS2 region. This band alignment transition is a result of the different response of the band edge states with strain and is caused by their different wave function characters. Then we show that the presence of the grain boundary introduces localized in-gap states. The boundary at the armchair interface significantly modifies the charge distribution of the valence band maximum (VBM) state, whereas in a heterostructure with tilt grain domains both conducation band maximum (CBM) and VBM are found to be localized around the grain boundary. We also found that the thickness of the constituents in a lateral heterostructure also determines how the electrons and holes are confined. Creating combined lateral vertical heterostructures of MOS2/WS2 provides another way cif tuning the charge confinement. These results provide possible ways to tune the carrier confinement in MoS2/WS2 heterostructures, which are interesting for its practical: applications in the future.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000353930700066 Publication Date 2015-04-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 73 Open Access
Notes ; This work was supported by the Methusalem program of the Flemish government. H.S. is supported by a FWO Pegasus Marie Curie-long Fellowship and J.K. by a FWO Pegasus Marie Curie-short Fellowship. ; Approved Most recent IF: 4.536; 2015 IF: 4.772
Call Number c:irua:126381 Serial 3747
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