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| Author | Mourdikoudis, S.; Chirea, M.; Zanaga, D.; Altantzis, T.; Mitrakas, M.; Bals, S.; Marzán, L.M.; Pérez-Juste, J.; Pastoriza-Santos, I. | ||||
| Title | Governing the morphology of PtAu heteronanocrystals with improved electrocatalytic performance | Type | A1 Journal article | ||
| Year | 2015 | Publication | Nanoscale | Abbreviated Journal | Nanoscale |
| Volume | 7 | Issue | 7 | Pages | 8739-8747 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Platinumgold heteronanostructures comprising either dimer (PtAu) or coresatellite (Pt@Au) configurations were synthesized by means of a seeded growth procedure using platinum nanodendrites as seeds. Careful control of the reduction kinetics of the gold precursor can be used to direct the nucleation and growth of gold nanoparticles on either one or multiple surface sites simultaneously, leading to the formation of either dimers or coresatellite nanoparticles, respectively, in high yields. Characterization by electron tomography and high resolution electron microscopy provided a better understanding of the actual three-dimensional particle morphology, as well as the AuPt interface, revealing quasi-epitaxial growth of Au on Pt. The prepared PtAu bimetallic nanostructures are highly efficient catalysts for ethanol oxidation in alkaline solution, showing accurate selectivity, high sensitivity, and improved efficiency by generating higher current densities than their monometallic counterparts. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Cambridge | Editor | ||
| Language | Wos | 000354204400011 | Publication Date | 2015-03-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2040-3364;2040-3372; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.367 | Times cited | 41 | Open Access | OpenAccess |
| Notes | 335078 Colouratom; 262348 Esmi; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); | Approved | Most recent IF: 7.367; 2015 IF: 7.394 | ||
| Call Number | c:irua:126354 | Serial | 1360 | ||
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| Author | Dendooven, J.; Devloo-Casier, K.; Ide, M.; Grandfield; Kurttepeli; Ludwig, K.F.; Bals, S.; Van der Voort, P.; Detavernier, C. | ||||
| Title | Atomic layer deposition-based tuning of the pore size in mesoporous thin films studied by in situ grazing incidence small angle X-ray scattering | Type | A1 Journal article | ||
| Year | 2014 | Publication | Nanoscale | Abbreviated Journal | Nanoscale |
| Volume | 6 | Issue | 24 | Pages | 14991-14998 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Atomic layer deposition (ALD) enables the conformal coating of porous materials, making the technique suitable for pore size tuning at the atomic level, e.g., for applications in catalysis, gas separation and sensing. It is, however, not straightforward to obtain information about the conformality of ALD coatings deposited in pores with diameters in the low mesoporous regime (<10 nm). In this work, it is demonstrated that in situ synchrotron based grazing incidence small angle X-ray scattering (GISAXS) can provide valuable information on the change in density and internal surface area during ALD of TiO2 in a porous titania film with small mesopores (3-8 nm). The results are shown to be in good agreement with in situ X-ray fluorescence data representing the evolution of the amount of Ti atoms deposited in the porous film. Analysis of both datasets indicates that the minimum pore diameter that can be achieved by ALD is determined by the size of the Ti-precursor molecule. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Cambridge | Editor | ||
| Language | Wos | 000345458200051 | Publication Date | 2014-10-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2040-3364;2040-3372; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.367 | Times cited | 41 | Open Access | OpenAccess |
| Notes | 239865 Cocoon; 335078 Colouratom; Fwo; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); | Approved | Most recent IF: 7.367; 2014 IF: 7.394 | ||
| Call Number | UA @ lucian @ c:irua:122227 | Serial | 169 | ||
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| Author | Engelmann, Y.; Bogaerts, A.; Neyts, E.C. | ||||
| Title | Thermodynamics at the nanoscale : phase diagrams of nickel-carbon nanoclusters and equilibrium constants for face transitions | Type | A1 Journal article | ||
| Year | 2014 | Publication | Nanoscale | Abbreviated Journal | Nanoscale |
| Volume | 6 | Issue | Pages | 11981-11987 | |
| Keywords | A1 Journal article; PLASMANT | ||||
| Abstract | Using reactive molecular dynamics simulations, the melting behavior of nickelcarbon nanoclusters is examined. The phase diagrams of icosahedral and Wulff polyhedron clusters are determined using both the Lindemann index and the potential energy. Formulae are derived for calculating the equilibrium constants and the solid and liquid fractions during a phase transition, allowing more rational determination of the melting temperature with respect to the arbitrary Lindemann value. These results give more insight into the properties of nickelcarbon nanoclusters in general and can specifically be very useful for a better understanding of the synthesis of carbon nanotubes using the catalytic chemical vapor deposition method. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Cambridge | Editor | ||
| Language | Wos | 000343000800049 | Publication Date | 2014-07-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2040-3364;2040-3372; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.367 | Times cited | 20 | Open Access | |
| Notes | Approved | Most recent IF: 7.367; 2014 IF: 7.394 | |||
| Call Number | UA @ lucian @ c:irua:119408 | Serial | 3636 | ||
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| Author | Engelmann; Bogaerts, A.; Neyts, E.C. | ||||
| Title | Thermodynamics at the nanoscale: phase diagrams of nickel-carbon nanoclusters and equilibrium constants for phase transitions | Type | A1 Journal article | ||
| Year | 2014 | Publication | Nanoscale | Abbreviated Journal | Nanoscale |
| Volume | 6 | Issue | 20 | Pages | 11981-11987 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Using reactive molecular dynamics simulations, the melting behavior of nickel-carbon nanoclusters is examined. The phase diagrams of icosahedral and Wulff polyhedron clusters are determined using both the Lindemann index and the potential energy. Formulae are derived for calculating the equilibrium constants and the solid and liquid fractions during a phase transition, allowing more rational determination of the melting temperature with respect to the arbitrary Lindemann value. These results give more insight into the properties of nickel-carbon nanoclusters in general and can specifically be very useful for a better understanding of the synthesis of carbon nanotubes using the catalytic chemical vapor deposition method. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Cambridge | Editor | ||
| Language | Wos | 000343000800049 | Publication Date | 2014-07-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2040-3364;2040-3372; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.367 | Times cited | 20 | Open Access | |
| Notes | Approved | Most recent IF: 7.367; 2014 IF: 7.394 | |||
| Call Number | UA @ lucian @ c:irua:121106 | Serial | 3637 | ||
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| Author | Deng, S.; Kurttepeli, M.; Deheryan, S.; Cott, D.J.; Vereecken, P.M.; Martens, J.A.; Bals, S.; Van Tendeloo, G.; Detavernier, C. | ||||
| Title | Synthesis of a 3D network of Pt nanowires by atomic layer deposition on a carbonaceous template | Type | A1 Journal article | ||
| Year | 2014 | Publication | Nanoscale | Abbreviated Journal | Nanoscale |
| Volume | 6 | Issue | 12 | Pages | 6939-6944 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The formation of a 3D network composed of free standing and interconnected Pt nanowires is achieved by a two-step method, consisting of conformal deposition of Pt by atomic layer deposition (ALD) on a forest of carbon nanotubes and subsequent removal of the carbonaceous template. Detailed characterization of this novel 3D nanostructure was carried out by transmission electron microscopy (TEM) and electrochemical impedance spectroscopy (EIS). The characterization showed that this pure 3D nanostructure of platinum is self-supported and offers an enhancement of the electrochemically active surface area by a factor of 50. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Cambridge | Editor | ||
| Language | Wos | 000337143900086 | Publication Date | 2014-04-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2040-3364;2040-3372; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.367 | Times cited | 14 | Open Access | OpenAccess |
| Notes | The authors wish to thank the Research Foundation – Flanders (FWO) for financial support. The authors acknowledge the European Research Council for funding under the European Union's Seventh Framework Programme (FP7/2007-2013)/ERCgrant agreement N°239865-COCOON, N°246791-COUNTATOMS and N°335078–COLOURATOM). The authors would also want to thank the support from UGENT-GOA-01G01513, IWT-SBO SOSLion and the Belgian government through Interuniversity Attraction Poles (IAPPAI).; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); | Approved | Most recent IF: 7.367; 2014 IF: 7.394 | ||
| Call Number | UA @ lucian @ c:irua:118393 | Serial | 3454 | ||
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| Author | Schütte, K.; Doddi, A.; Kroll, C.; Meyer, H.; Wiktor, C.; Gemel, C.; Van Tendeloo, G.; Fischer, R.A.; Janiak, C. | ||||
| Title | Colloidal nickel/gallium nanoalloys obtained from organometallic precursors in conventional organic solvents and in ionic liquids : noble-metal-free alkyne semihydrogenation catalysts | Type | A1 Journal article | ||
| Year | 2014 | Publication | Nanoscale | Abbreviated Journal | Nanoscale |
| Volume | 6 | Issue | 10 | Pages | 5532-5544 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Efforts to replace noble-metal catalysts by low-cost alternatives are of constant interest. The organometallic, non-aqueous wet-chemical synthesis of various hitherto unknown nanocrystalline Ni/Ga intermetallic materials and the use of NiGa for the selective semihydrogenation of alkynes to alkenes are reported. Thermal co-hydrogenolysis of the all-hydrocarbon precursors [Ni(COD)(2)] (COD = 1,5-cyclooctadiene) and GaCp* (Cp* = pentamethylcyclopentadienyl) in high-boiling organic solvents mesitylene and n-decane in molar ratios of 1 : 1, 2 : 3 and 3 : 1 yields the nano-crystalline powder materials of the over-all compositions NiGa, Ni2Ga3 and Ni3Ga, respectively. Microwave induced co-pyrolysis of the same precursors without additional hydrogen in the ionic liquid [BMIm][BF4] (BMIm = 1-butyl-3-methyl-imidazolium) selectively yields the intermetallic phases NiGa and Ni3Ga from the respective 1 : 1 and 3 : 1 molar ratios of the precursors. The obtained materials are characterized by transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy (EDX), IR, powder X-ray diffraction (PXRD) and atomic absorption spectroscopy (AAS). The single-source precursor [Ni(GaCp*)(PMe3)(3)] with a fixed Ni : Ga stoichiometry of 1 : 1 was employed as well. In comparison with the co-hydrogenolytic dual precursor source approach it turned out to be less practical due to inefficient nickel incorporation caused by the parasitic formation of stable [Ni(PMe3)(4)]. The use of ionic liquid [BMIm][BF4] as a non-conventional solvent to control the reaction and stabilize the nanoparticles proved to be particularly advantageous and stable colloids of the nanoalloys NiGa and Ni3Ga were obtained. A phase-selective Ni/Ga colloid synthesis in conventional solvents and in the presence of surfactants such as hexadecylamine (HDA) was not feasible due to the undesired reactivity of HDA with GaCp* leading to inefficient gallium incorporation. Recyclable NiGa nanoparticles selectively semihydrogenate 1-octyne and diphenylacetylene (tolan) to 1-octene and diphenylethylene, respectively, with a yield of about 90% and selectivities of up to 94 and 87%. Ni-NPs yield alkanes with a selectivity of 97 or 78%, respectively, under the same conditions. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Cambridge | Editor | ||
| Language | Wos | 000335148800069 | Publication Date | 2014-03-06 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2040-3364;2040-3372; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.367 | Times cited | 40 | Open Access | |
| Notes | Approved | Most recent IF: 7.367; 2014 IF: 7.394 | |||
| Call Number | UA @ lucian @ c:irua:117251 | Serial | 390 | ||
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| Author | Monico, L.; Janssens, K.; Alfeld, M.; Cotte, M.; Vanmeert, F.; Ryan, C.G.; Falkenberg, G.; Howard, D.L.; Brunetti, B.G.; Miliani, C. | ||||
| Title | Full spectral XANES imaging using the Maia detector array as a new tool for the study of the alteration process of chrome yellow pigments in paintings by Vincent van Gogh | Type | A1 Journal article | ||
| Year | 2015 | Publication | Journal of analytical atomic spectrometry | Abbreviated Journal | J Anal Atom Spectrom |
| Volume | 30 | Issue | 3 | Pages | 613-626 |
| Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | A combination of synchrotron radiation (SR) micro X-ray fluorescence (m-XRF) and XRF mode X-ray absorption near edge structure (XANES) measurements at the Cr K-edge already allowed us to establish that the photo-reduction of chromates to Cr(III) compounds is the cause of darkening of chrome yellow pigments (PbCr1-xSxO4, 0 <= x <= 0.8) in a number of paintings by Vincent van Gogh and in corresponding artificially aged paint models. A silicon drift detector (SDD) was employed to record the Cr-K XRF radiation in these X-ray micro beam-based measurements. However, in view of the limited count rate capabilities and collection solid angle of a single device, m-XRF and m-XANES employing single element SDDs (or similar) are primarily suited for collection of spectral data from individual points. Additionally, collection of XRF maps via point-by-point scanning with relatively long dwell times per point is possible but is usually confined to small areas. The development of the 384 silicon-diode array Maia XRF detector has provided valuable solutions in terms of data acquisition rate, allowing for full spectral (FS) XANES imaging in XRF mode, i.e., where spectroscopic information is available at each pixel in the scanned map. In this paper, the possibilities of SR Cr K-edge FS-XANES imaging in XRF mode using the Maia detector are examined as a new data collection strategy to study the speciation and distribution of alteration products of lead chromate-based pigments in painting materials. The results collected from two micro-samples taken from two Van Gogh paintings and an aged paint model show the possibility to perform FS-XANES imaging in practical time frames (from several minutes to a few hours) by scanning regions of sample sizes of the same order (more than 500 mm). The sensitivity and capabilities of FS-XANES imaging in providing representative chemical speciation information at the microscale (spatial resolution from similar to 2 to 0.6 mm) over the entire scanned area are demonstrated by the identification of Cr(OH) 3, Cr(III) sulfates and/or Cr(III) organometallic compounds in the corresponding phase maps, as alteration products. Comparable Cr-speciation results were obtained by performing equivalent higher spatial resolution SR m-XRF/single-point m-XANES analysis using a more conventional SDD from smaller regions of interest of each sample. Thus, large-area XRF mode FS-XANES imaging (Maia detector) is here proposed as a valuable and complementary data collection strategy in relation to “ zoomed-in” high-resolution m-XRF mapping and single-point m-XANES analysis (SDD). | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000350650800006 | Publication Date | 2014-12-17 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0267-9477 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.379 | Times cited | 28 | Open Access | |
| Notes | ; This research was supported by the Interuniversity Attraction Poles Programme – Belgian Science Policy (S2-ART project S4DA), GOA “SOLARPAINT” (Research Fund University of Antwerp, Belgium) and FWO (Brussels, Belgium) project no. G.0C12.13, G.0704.08 and G.01769.09. Support from the Italian projects PRIN (SICH Sustainability in Cultural Heritage: from diagnosis to the development of innovative system for consolidation, cleaning and protection) and PON (ITACHA Italian advanced technologies for cultural heritage applications) is also acknowledged. For the grants received thanks are expressed to ESRF (experiments EC-799, EC-1051) and DESY (experiment H-20000043). Part of this research was undertaken at the XFM beamline at the Australian Synchrotron, Victoria, Australia (experiment M4604). LM acknowledges the CNR for the financial support received in the framework of the Short Term Mobility Programme 2013. Thanks are expressed to Ella Hendriks (Van Gogh Museum, Amsterdam), Muriel Geldof (Cultural Heritage Agency of The Netherlands) and Margje Leeuwestein (Kroller-Muller Museum, Otterlo) for selecting and sharing the information on the cross-section taken from the paintings The Bedroom and Falling Leaves (Les Alyscamps). All the staff of the Van Gogh Museum and the Kroller-Muller Museum are acknowledged for their agreeable cooperation. ; | Approved | Most recent IF: 3.379; 2015 IF: 3.466 | ||
| Call Number | UA @ admin @ c:irua:125475 | Serial | 5628 | ||
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| Author | Alfeld, M.; Janssens, K. | ||||
| Title | Strategies for processing mega-pixel X-ray fluorescence hyperspectral data: a case study on a version of Caravaggio's painting Supper at Emmaus | Type | A1 Journal article | ||
| Year | 2015 | Publication | Journal of analytical atomic spectrometry | Abbreviated Journal | J Anal Atom Spectrom |
| Volume | 30 | Issue | 3 | Pages | 777-789 |
| Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | Technical progress in the fields of X-ray sources, optics and detectors is constantly enhancing the pace of data acquisition in XRF imaging. This enlarges the size of the hyperspectral datasets and the number of their sub-parts. This paper describes the challenges in processing large XRF datasets featuring several million pixels/spectra and the strategies developed to overcome them. During the investigation of historical paintings by scanning macro-XRF the main challenges are the correct identification of all spectral features in a dataset and its timely processing. For the identification of spectral features different approaches are discussed, i.e. the use of sum spectra, maximum pixel spectra and of chi(2)(r) maps. For the time-efficient, artefact-free evaluation of XRF imaging data, different software packages are evaluated and intercompared (AXIL, PyMCA, GeoPIXE and the in-house written datamuncher). The process of data evaluation is illustrated on a large dataset (3.4 MPixels) acquired during the investigation of a version of Caravaggio's Supper at Emmaus (143 x 199.5 cm(2)). This 17th century painting is currently the largest object entirely scanned with macroscopic XRF. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000350650800026 | Publication Date | 2015-02-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0267-9477 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.379 | Times cited | 67 | Open Access | |
| Notes | ; The authors would like to thank W. de Nolf, A. Rothkirch, C. Ryan, A. Sole, B. Vekemans, P. van Espen and L. Vincze for their fruitful discussions over the years. Furthermore, the authors thank D. Swetzoff for his support. M. Alfeld was from 2009 to 2013 the recipient of a Ph.D. fellowship of the Research Foundation-Flanders (FWO, Brussels). ; | Approved | Most recent IF: 3.379; 2015 IF: 3.466 | ||
| Call Number | UA @ admin @ c:irua:125477 | Serial | 5848 | ||
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| Author | Nuyts, G.; Cagno, S.; Bugani, S.; Janssens, K. | ||||
| Title | Micro-XANES study on Mn browning: use of quantitative valence state maps | Type | A1 Journal article | ||
| Year | 2015 | Publication | Journal of analytical atomic spectrometry | Abbreviated Journal | J Anal Atom Spectrom |
| Volume | 30 | Issue | 3 | Pages | 642-650 |
| Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | Historical glass, especially non-durable medieval glass, can undergo corrosion. This sometimes results in the formation of dark-coloured manganese-rich inclusions that reduce the transparency of the glass. While unaltered bulk glass contains manganese mainly present in the +II valence state, inside the inclusions Mn is present in higher valence states (+III to +IV). Two different strategies may be considered by conservators when aiming to improve the transparency. One is based on the reduction of highly oxidised black/brown compounds using mildly reducing solutions, while the other focuses more on the extraction of manganese from the inclusions by the application of chelating agents. In this paper, a method for quantitative mapping of the Mn speciation inside partially corroded historical windowpanes based on X-Ray Absorption Near-Edge Structure (XANES) spectroscopy is discussed. The calibration of such Mn valence state maps based on the combo method, a fairly reliable way to determine the oxidation state, is described in more detail. This method is used to evaluate the effect of reducing treatments on historical glass, dated to the 14th century and originating from Sidney Sussex College (Cambridge, UK), suffering from Mn browning. Glasses were examined by means of Synchrotron Radiation (SR) based microscopic X-Ray Absorption Near-Edge Structure (mXANES) spectroscopy and microscopic X-Ray Fluorescence (mXRF). X-Ray elemental distribution maps of glass cross-sections are recorded at different energies, while Mn K-edge spectra are used to convert these into Mn valence state (VS) maps. Such valence state maps will allow evaluation of a reducing treatment. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000350650800009 | Publication Date | 2015-02-23 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0267-9477 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.379 | Times cited | 8 | Open Access | |
| Notes | ; This research was supported by the Interuniversity Attraction Poles Programme Belgian Science Policy (IUAP VI/16) and partially by the Research Council of Norway through its Centres of Excellence funding scheme, project number 223268/ F50. The text also presents results of Center of Excellence AGRECHEM (Research Fund University of Antwerp, Belgium) and from the Fund for Scientific Research (FWO, Brussels, Belgium) projects no. G.0C12.13 and G.01769.09. We gratefully acknowledge ESRF for granting beamtime (experiment EC768) and the beamline scientists of ID21 for their support. The authors also want to thank Leonie Seliger of Canterbury Cathedral, UK, the Sidney Sussex College Council and Bursar Charles Larkum for providing the archaeological samples of the Franciscan Friary which are kept in store for Sidney Sussex College in Cambridge (UK). ; | Approved | Most recent IF: 3.379; 2015 IF: 3.466 | ||
| Call Number | UA @ admin @ c:irua:125476 | Serial | 5719 | ||
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| Author | Radepont, M.; Coquinot, Y.; Janssens, K.; Ezrati, J.-J.; de Nolf, W.; Cotte, M. | ||||
| Title | Thermodynamic and experimental study of the degradation of the red pigment mercury sulfide | Type | A1 Journal article | ||
| Year | 2015 | Publication | Journal of analytical atomic spectrometry | Abbreviated Journal | J Anal Atom Spectrom |
| Volume | 30 | Issue | 3 | Pages | 599-612 |
| Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | The red pigment mercury sulfide, called cinnabar or vermilion, is well known to suffer from an alteration giving rise to a grey, grey-white or black color at the surface of degraded works of art. This phenomenon can dramatically affect the esthetical value of artworks. This work aims at assessing the factors (light, halides) influencing the instability of red mercury sulfide and understanding (by combining thermodynamic and experimental approaches) the chemical equilibria governing the formation and evolution of the different degradation compounds. From the thermodynamic study of the Hg-S-Cl-H2O system, it was concluded that Hg(0), Hg3S2Cl2, and Hg2Cl2 can be formed from the reaction of alpha-HgS with ClO(g). In the second part, the artificial ageing experiments presented were carried out on model samples following the conditions assessed in the first part, in order to reproduce natural ageing observed on red mercury sulfide. Similarly to degradation compounds detected on original works of art, mercury chlorine compounds such as calomel (Hg2Cl2) and corderoite (alpha-Hg3S2Cl2) were identified on the surface of alpha-HgS model samples, when exposed to light and a sodium hypochlorite solution. Sulfates were detected as well, and more particularly gypsum (CaSO4 center dot 2H(2)O) when Ca was originally present in the model sample. The relationship between color and composition is discussed as well. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000350650800005 | Publication Date | 2015-01-02 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0267-9477 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.379 | Times cited | 26 | Open Access | |
| Notes | ; The authors gratefully acknowledge the ESRF for granting beamtime under proposal no. EC720. Michel Dubus is thanked for providing precious advices concerning ageing protocols. This research was supported by Belgian Science Policy project S2-ART (BELSPO S4DA), the GOA “SOLARPAINT” (Research Fund University of Antwerp, Belgium) and FWO (Brussels, Belgium) projects no. G.0C12.13, G.0704.08 and G.01769.09. ; | Approved | Most recent IF: 3.379; 2015 IF: 3.466 | ||
| Call Number | UA @ admin @ c:irua:125474 | Serial | 5877 | ||
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| Author | De Schouwer, F.; Claes, L.; Claes, N.; Bals, S.; Degrève, J.; De Vos, D.E. | ||||
| Title | Pd-catalyzed decarboxylation of glutamic acid and pyroglutamic acid to bio-based 2-pyrrolidone | Type | A1 Journal article | ||
| Year | 2015 | Publication | Green chemistry : cutting-edge research for a greener sustainable future | Abbreviated Journal | Green Chem |
| Volume | 17 | Issue | 17 | Pages | 2263-2270 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | In order to recycle nitrogen from nitrogen-rich waste streams, particularly protein waste, we studied the decarboxylation of pyroglutamic acid and glutamic acid in a one-pot reaction to bio-based 2-pyrrolidone. After the screening of a wide range of supported Pd and Pt catalysts, 5 wt% Pd/Al2O3 displayed the highest yield (70%) and selectivity (81%) for the decarboxylation of pyroglutamic acid in water at 250 °C and under an inert atmosphere. Side products originate from consecutive reactions of 2-pyrrolidone; different reaction pathways are proposed to explain the presence of degradation products like propionic acid, γ-hydroxybutyric acid, γ-butyrolactone and methylamine. An extensive study of the reaction parameters was performed to check their influence on selectivity and conversion. This heterogeneous catalytic system was successfully extended to the conversion of glutamic acid. | ||||
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| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | 000352724200027 | Publication Date | 2015-02-17 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1463-9262;1463-9270; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 9.125 | Times cited | 47 | Open Access | OpenAccess |
| Notes | 335078 Colouratom; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); | Approved | Most recent IF: 9.125; 2015 IF: 8.020 | ||
| Call Number | c:irua:125378 | Serial | 2564 | ||
| Permanent link to this record | |||||
| Author | Tyablikov, O.A.; Batuk, D.; Tsirlin, A.A.; Batuk, M.; Verchenko, V.Y.; Filimonov, D.S.; Pokholok, K.V.; Sheptyakov, D.V.; Rozova, M.G.; Hadermann, J.; Antipov, E.V.; Abakumov, A.M.; | ||||
| Title | {110}-Layered B-cation ordering in the anion-deficient perovskite Pb2.4Ba2.6Fe2Sc2TiO13 with the crystallographic shear structure | Type | A1 Journal article | ||
| Year | 2015 | Publication | Journal of the Chemical Society : Dalton transactions | Abbreviated Journal | Dalton T |
| Volume | 44 | Issue | 44 | Pages | 10753-10762 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | A novel anion-deficient perovskite-based compound, Pb2.4Ba2.6Fe2Sc2TiO13, was synthesized via the citrate-based route. This compound is an n = 5 member of the A(n)B(n)O(3n-2) homologous series with unit-cell parameters related to the perovskite subcell a(p) approximate to 4.0 angstrom as a(p)root 2 x a(p) x 5a(p)root 2. The crystal structure of Pb2.4Ba2.6Fe2Sc2TiO13 consists of quasi-2D perovskite blocks with a thickness of three octahedral layers separated by the 1/2[110]((1) over bar 01)(p) crystallographic shear (CS) planes, which are parallel to the {110} plane of the perovskite subcell. The CS planes transform the corner-sharing octahedra into chains of edge-sharing distorted tetragonal pyramids. Using a combination of neutron powder diffraction, Fe-57 Mossbauer spectroscopy and atomic resolution electron energy-loss spectroscopy we demonstrate that the B-cations in Pb2.4Ba2.6Fe2Sc2TiO13 are ordered along the {110} perovskite layers with Fe3+ in distorted tetragonal pyramids along the CS planes, Ti4+ preferentially in the central octahedra of the perovskite blocks and Sc3+ in the outer octahedra of the perovskite blocks. Magnetic susceptibility and Mossbauer spectroscopy indicate a broadened magnetic transition around T-N similar to 45 K and the onset of local magnetic fields at low temperatures. The magnetic order is probably reminiscent of that in other A(n)B(n)O(3n-2) homologues, where G-type AFM order within the perovskite blocks has been observed. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | 000355701000026 | Publication Date | 2015-01-26 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1477-9226;1477-9234; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.029 | Times cited | 1 | Open Access | |
| Notes | Approved | Most recent IF: 4.029; 2015 IF: 4.197 | |||
| Call Number | c:irua:127001 | Serial | 22 | ||
| Permanent link to this record | |||||
| Author | Lin, F.; Meng; Kukueva, E.; Altantzis, T.; Mertens, M.; Bals, S.; Cool, P.; Van Doorslaer, S. | ||||
| Title | Direct-synthesis method towards copper-containing periodic mesoporous organosilicas : detailed investigation of the copper distribution in the material | Type | A1 Journal article | ||
| Year | 2015 | Publication | Journal of the Chemical Society : Dalton transactions | Abbreviated Journal | Dalton T |
| Volume | 44 | Issue | 44 | Pages | 9970-9979 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) | ||||
| Abstract | Three-dimensional cubic Fm (3) over barm mesoporous copper-containing ethane-bridged PMO materials have been prepared through a direct-synthesis method at room temperature in the presence of cetyltrimethylammonium bromide as surfactant. The obtained materials have been unambiguously characterized in detail by several sophisticated techniques, including XRD, UV-Vis-Dr, TEM, elemental mapping, continuous- wave and pulsed EPR spectroscopy. The results show that at lower copper loading, the Cu2+ species are well dispersed in the Cu-PMO materials, and mainly exist as mononuclear Cu2+ species. At higher copper loading amount, Cu2+ clusters are observed in the materials, but the distribution of the Cu2+ species is still much better in the Cu-PMO materials prepared through the direct-synthesis method than in a Cu-containing PMO material prepared through an impregnation method. Moreover, the evolution of the copper incorporation during the PMO synthesis has been followed by EPR. The results show that the immobilization of the Cu2+ ion/complex and the formation of the PMO materials are taking place simultaneously. The copper ions are found to be situated on the inner surface of the mesopores of the materials and are accessible, which will be beneficial for the catalytic applications. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | 000355000700028 | Publication Date | 2015-04-28 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1477-9226;1477-9234; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.029 | Times cited | 11 | Open Access | OpenAccess |
| Notes | Goa-Bof; 335078 Colouratom; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); | Approved | Most recent IF: 4.029; 2015 IF: 4.197 | ||
| Call Number | c:irua:126422 | Serial | 725 | ||
| Permanent link to this record | |||||
| Author | Amini, M.N.; Saniz, R.; Lamoen, D.; Partoens, B. | ||||
| Title | The role of the VZn-NO-H complex in the p-type conductivity in ZnO | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
| Volume | 17 | Issue | 17 | Pages | 5485-5489 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | Past research efforts aiming at obtaining stable p-type ZnO have been based on complexes involving nitrogen doping. A recent experiment by (J. G. Reynolds et al., Appl. Phys. Lett., 2013, 102, 152114) demonstrated a significant ([similar]1018 cm−3) p-type behavior in N-doped ZnO films after appropriate annealing. The p-type conductivity was attributed to a VZnNOH shallow acceptor complex, formed by a Zn vacancy (VZn), N substituting O (NO), and H interstitial (Hi). We present here a first-principles hybrid functional study of this complex compared to the one without hydrogen. Our results confirm that the VZnNOH complex acts as an acceptor in ZnO. We find that H plays an important role, because it lowers the formation energy of the complex with respect to VZnNO, a complex known to exhibit (unstable) p-type behavior. However, this additional H atom also occupies the hole level at the origin of the shallow behavior of VZnNO, leaving only two states empty higher in the band gap and making the VZnNOH complex a deep acceptor. Therefore, we conclude that the cause of the observed p-type conductivity in experiment is not the presence of the VZnNOH complex, but probably the formation of the VZnNO complex during the annealing process. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Cambridge | Editor | ||
| Language | Wos | 000349616400080 | Publication Date | 2015-01-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1463-9076;1463-9084; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.123 | Times cited | 20 | Open Access | |
| Notes | FWO G021614N; FWO G015013; FWO G018914N; GOA; Hercules | Approved | Most recent IF: 4.123; 2015 IF: 4.493 | ||
| Call Number | c:irua:123218 | Serial | 3592 | ||
| Permanent link to this record | |||||
| Author | Bekaert, J.; Saniz, R.; Partoens, B.; Lamoen, D. | ||||
| Title | Native point defects in CuIn1-xGaxSe2 : hybrid density functional calculations predict the origin of p- and n-type conductivity | Type | A1 Journal article | ||
| Year | 2014 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
| Volume | 16 | Issue | 40 | Pages | 22299-22308 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | We have performed a first-principles study of the p- and n-type conductivity in CuIn1−xGaxSe2 due to native point defects, based on the HSE06 hybrid functional. Band alignment shows that the band gap becomes larger with x due to the increasing conduction band minimum, rendering it hard to establish n-type conductivity in CuGaSe2. From the defect formation energies, we find that In/GaCu is a shallow donor, while VCu, VIn/Ga and CuIn/Ga act as shallow acceptors. Using the total charge neutrality of ionized defects and intrinsic charge carriers to determine the Fermi level, we show that under In-rich growth conditions InCu causes strongly n-type conductivity in CuInSe2. Under increasingly In-poor growth conditions, the conductivity type in CuInSe2 alters to p-type and compensation of the acceptors by InCu reduces, as also observed in photoluminescence experiments. In CuGaSe2, the native acceptors pin the Fermi level far away from the conduction band minimum, thus inhibiting n-type conductivity. On the other hand, CuGaSe2 shows strong p-type conductivity under a wide range of Ga-poor growth conditions. Maximal p-type conductivity in CuIn1−xGaxSe2 is reached under In/Ga-poor growth conditions, in agreement with charge concentration measurements on samples with In/Ga-poor stoichiometry, and is primarily due to the dominant acceptor CuIn/Ga. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Cambridge | Editor | ||
| Language | Wos | 000343072800042 | Publication Date | 2014-09-05 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1463-9076;1463-9084; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.123 | Times cited | 43 | Open Access | |
| Notes | ; We gratefully acknowledge financial support from the science fund FWO-Flanders through project G.0150.13. The first-principles calculations have been carried out on the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Centre (VSC), supported financially by the Hercules foundation and the Flemish Government (EWI Department). We also like to thank Prof. S. Siebentritt of the University of Luxembourg for a presentation of her work on GIGS during a visit to our research group and for helpful discussions of our results. ; | Approved | Most recent IF: 4.123; 2014 IF: 4.493 | ||
| Call Number | UA @ lucian @ c:irua:120465 | Serial | 2284 | ||
| Permanent link to this record | |||||
| Author | Yalcin, A.O.; Goris, B.; van Dijk-Moes, R.J.A.; Fan, Z.; Erdamar, A.K.; Tichelaar, F.D.; Vlugt, T.J.H.; Van Tendeloo, G.; Bals, S.; Vanmaekelbergh, D.; Zandbergen, H.W.; van Huis, M.A.; | ||||
| Title | Heat-induced transformation of CdSe-CdS-ZnS coremultishell quantum dots by Zn diffusion into inner layers | Type | A1 Journal article | ||
| Year | 2015 | Publication | Chemical communications | Abbreviated Journal | Chem Commun |
| Volume | 51 | Issue | 51 | Pages | 3320-3323 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | In this work, we investigate the thermal evolution of CdSeCdSZnS coremultishell quantum dots (QDs) in situ using transmission electron microscopy (TEM). Starting at a temperature of approximately 250 °C, Zn diffusion into inner layers takes place together with simultaneous evaporation of particularly Cd and S. As a result of this transformation, CdxZn1−xSeCdyZn1−yS coreshell QDs are obtained. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | 000349325000004 | Publication Date | 2014-11-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1359-7345;1364-548X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.319 | Times cited | 21 | Open Access | OpenAccess |
| Notes | 262348 Esmi; Fwo; 246791 Countatoms; 335078 Colouratom; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); | Approved | Most recent IF: 6.319; 2015 IF: 6.834 | ||
| Call Number | c:irua:132582 | Serial | 1412 | ||
| Permanent link to this record | |||||
| Author | Schouteden, K.; Zeng, Y.-J.; Lauwaet, K.; Romero, C.P.; Goris, B.; Bals, S.; Van Tendeloo, G.; Lievens, P.; Van Haesendonck, C. | ||||
| Title | Band structure quantization in nanometer sized ZnO clusters | Type | A1 Journal article | ||
| Year | 2013 | Publication | Nanoscale | Abbreviated Journal | Nanoscale |
| Volume | 5 | Issue | 9 | Pages | 3757-3763 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Nanometer sized ZnO clusters are produced in the gas phase and subsequently deposited on clean Au(111) surfaces under ultra-high vacuum conditions. The zinc blende atomic structure of the approximately spherical ZnO clusters is resolved by high resolution scanning transmission electron microscopy. The large band gap and weak n-type conductivity of individual clusters are determined by scanning tunnelling microscopy and spectroscopy at cryogenic temperatures. The conduction band is found to exhibit clear quantization into discrete energy levels, which can be related to finite-size effects reflecting the zero-dimensional confinement. Our findings illustrate that gas phase cluster production may provide unique possibilities for the controlled fabrication of high purity quantum dots and heterostructures that can be size selected prior to deposition on the desired substrate under controlled ultra-high vacuum conditions. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Cambridge | Editor | ||
| Language | Wos | 000317859400026 | Publication Date | 2013-03-05 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2040-3364;2040-3372; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.367 | Times cited | 13 | Open Access | |
| Notes | FWO; Hercules; COUNTATOMS | Approved | Most recent IF: 7.367; 2013 IF: 6.739 | ||
| Call Number | UA @ lucian @ c:irua:108518 | Serial | 219 | ||
| Permanent link to this record | |||||
| Author | Mourdikoudis, S.; Chirea, M.; Altantzis, T.; Pastoriza-Santos, I.; Perez-Juste, J.; Silva, F.; Bals, S.; Liz-Marzan, L.M. | ||||
| Title | Dimethylformamide-mediated synthesis of water-soluble platinum nanodendrites for ethanol oxidation electrocatalysis | Type | A1 Journal article | ||
| Year | 2013 | Publication | Nanoscale | Abbreviated Journal | Nanoscale |
| Volume | 5 | Issue | 11 | Pages | 4776-4784 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Herein we describe the synthesis of water-soluble platinum nanodendrites in dimethylformamide (DMF), in the presence of polyethyleneimine (PEI) as a stabilizing agent. The average size of the dendrites is in the range of 20-25 nm while their porosity can be tuned by modifying the concentration of the metal precursor. Electron tomography revealed different crystalline orientations of nanocrystallites in the nanodendrites and allowed a better understanding of their peculiar branching and porosity. The high surface area of the dendrites (up to 22 m(2) g(-1)) was confirmed by BET measurements, while X-ray diffraction confirmed the abundance of high-index facets in the face-centered-cubic crystal structure of Pt. The prepared nanodendrites exhibit excellent performance in the electrocatalytic oxidation of ethanol in alkaline solution. Sensing, selectivity, cycleability and great tolerance toward poisoning were demonstrated by cyclic voltammetry measurements. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Cambridge | Editor | ||
| Language | Wos | 000319008700028 | Publication Date | 2013-04-03 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2040-3364;2040-3372; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.367 | Times cited | 50 | Open Access | |
| Notes | Esf; 262348 Esmi | Approved | Most recent IF: 7.367; 2013 IF: 6.739 | ||
| Call Number | UA @ lucian @ c:irua:109060 | Serial | 705 | ||
| Permanent link to this record | |||||
| Author | Schoeters, B.; Neyts, E.C.; Khalilov, U.; Pourtois, G.; Partoens, B. | ||||
| Title | Stability of Si epoxide defects in Si nanowires : a mixed reactive force field/DFT study | Type | A1 Journal article | ||
| Year | 2013 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
| Volume | 15 | Issue | 36 | Pages | 15091-15097 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Modeling the oxidation process of silicon nanowires through reactive force field based molecular dynamics simulations suggests that the formation of Si epoxide defects occurs both at the Si/SiOx interface and at the nanowire surface, whereas for flat surfaces, this defect is experimentally observed to occur only at the interface as a result of stress. In this paper, we argue that the increasing curvature stabilizes the defect at the nanowire surface, as suggested by our density functional theory calculations. The latter can have important consequences for the opto-electronic properties of thin silicon nanowires, since the epoxide induces an electronic state within the band gap. Removing the epoxide defect by hydrogenation is expected to be possible but becomes increasingly difficult with a reduction of the diameter of the nanowires. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Cambridge | Editor | ||
| Language | Wos | 000323520600029 | Publication Date | 2013-07-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1463-9076;1463-9084; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.123 | Times cited | 3 | Open Access | |
| Notes | ; BS gratefully acknowledges financial support of the IWT, Institute for the Promotion of Innovation by Science and Technology in Flanders, via the SBO project “SilaSol”. 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 and the Universiteit Antwerpen. ; | Approved | Most recent IF: 4.123; 2013 IF: 4.198 | ||
| Call Number | UA @ lucian @ c:irua:110793 | Serial | 3130 | ||
| Permanent link to this record | |||||
| Author | Rodríguez-Fernández, D.; Altantzis, T.; Heidari, H.; Bals, S.; Liz-Marzan, L.M. | ||||
| Title | A protecting group approach toward synthesis of Au-silica Janus nanostars | Type | A1 Journal article | ||
| Year | 2014 | Publication | Chemical communications | Abbreviated Journal | Chem Commun |
| Volume | 50 | Issue | 1 | Pages | 79-81 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The concept of protecting groups, widely used in organic chemistry, has been applied for the synthesis of Au-silica Janus stars, in which gold branches protrude from one half of Au-silica Janus spheres. This configuration opens up new possibilities to apply the plasmonic properties of gold nanostars, as well as a variety of chemical functionalizations on the silica component. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | 000327606000017 | Publication Date | 2013-10-22 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1359-7345;1364-548X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.319 | Times cited | 26 | Open Access | OpenAccess |
| Notes | 262348 Esmi; 335078 Colouratom; 267867 Plasmaquo; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); | Approved | Most recent IF: 6.319; 2014 IF: 6.834 | ||
| Call Number | UA @ lucian @ c:irua:112774 | Serial | 2732 | ||
| Permanent link to this record | |||||
| Author | Turner, S.; Lu, Y.-G.; Janssens, S.D.; da Pieve, F.; Lamoen, D.; Verbeeck, J.; Haenen, K.; Wagner, P.; Van Tendeloo, G. | ||||
| Title | Local boron environment in B-doped nanocrystalline diamond films | Type | A1 Journal article | ||
| Year | 2012 | Publication | Nanoscale | Abbreviated Journal | Nanoscale |
| Volume | 4 | Issue | 19 | Pages | 5960-5964 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Thin films of heavily B-doped nanocrystalline diamond (B:NCD) have been investigated by a combination of high resolution annular dark field scanning transmission electron microscopy and spatially resolved electron energy-loss spectroscopy performed on a state-of-the-art aberration corrected instrument to determine the B concentration, distribution and the local B environment. Concentrations of [similar]1 to 3 at.% of boron are found to be embedded within individual grains. Even though most NCD grains are surrounded by a thin amorphous shell, elemental mapping of the B and C signal shows no preferential embedding of B in these amorphous shells or in grain boundaries between the NCD grains, in contrast with earlier work on more macroscopic superconducting polycrystalline B-doped diamond films. Detailed inspection of the fine structure of the boron K-edge and comparison with density functional theory calculated fine structure energy-loss near-edge structure signatures confirms that the B atoms present in the diamond grains are substitutional atoms embedded tetrahedrally into the diamond lattice. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Cambridge | Editor | ||
| Language | Wos | 000308705900026 | Publication Date | 2012-08-09 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2040-3364;2040-3372; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.367 | Times cited | 39 | Open Access | |
| Notes | FWO G056810N; GOA XANES meets ELNES; 246791 COUNTATOMS; Hercules; 262348 ESMI; Methusalem Nano | Approved | Most recent IF: 7.367; 2012 IF: 6.233 | ||
| Call Number | UA @ lucian @ c:irua:101227UA @ admin @ c:irua:101227 | Serial | 1825 | ||
| Permanent link to this record | |||||
| Author | Grodzinska, D.; Pietra, F.; van Huis, M.A.; Vanmaekelbergh, D.; de Mello Donegá, C. | ||||
| Title | Thermally induced atomic reconstruction of PbSe/CdSe core/shell quantum dots into PbSe/CdSe bi-hemisphere hetero-nanocrystals | Type | A1 Journal article | ||
| Year | 2011 | Publication | Journal of materials chemistry | Abbreviated Journal | J Mater Chem |
| Volume | 21 | Issue | 31 | Pages | 11556-11565 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The properties of hetero-nanocrystals (HNCs) depend strongly on the mutual arrangement of the nanoscale components. In this work we have investigated the structural and morphological evolution of colloidal PbSe/CdSe core/shell quantum dots upon annealing under vacuum. Prior to annealing the PbSe core has an approximately octahedral morphology with eight {111} facets, and the CdSe shell has zinc-blende crystal structure. Thermal annealing under vacuum at temperatures between 150 °C and 200 °C induces a structural and morphological reconstruction of the HNCs whereby the PbSe core and the CdSe shell are reorganized into two hemispheres joined by a common {111} Se plane. This thermally induced reconstruction leads to considerable changes in the optical properties of the colloidal PbSe/CdSe HNCs. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Cambridge | Editor | ||
| Language | Wos | 000293190200018 | Publication Date | 2011-04-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0959-9428;1364-5501; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 44 | Open Access | ||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ lucian @ c:irua:91945 | Serial | 3632 | ||
| Permanent link to this record | |||||
| Author | Bogaerts, A. | ||||
| Title | The afterglow mystery of pulsed glow discharges and the role of dissociative electron-ion recombination | Type | A1 Journal article | ||
| Year | 2007 | Publication | Journal of analytical atomic spectrometry | Abbreviated Journal | J Anal Atom Spectrom |
| Volume | 22 | Issue | Pages | 502-512 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | 000246889200012 | Publication Date | 2007-04-18 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0267-9477;1364-5544; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.379 | Times cited | 56 | Open Access | |
| Notes | Approved | Most recent IF: 3.379; 2007 IF: 3.269 | |||
| Call Number | UA @ lucian @ c:irua:63859 | Serial | 81 | ||
| Permanent link to this record | |||||
| Author | Piedigrosso, P.; Konya, Z.; Colomer, J.-F.; Fonseca, A.; Van Tendeloo, G.; Nagy, J.B. | ||||
| Title | Production of differently shaped multi-wall carbon nanotubes using various cobalt supported catalysts | Type | A1 Journal article | ||
| Year | 2000 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
| Volume | 2 | Issue | 1 | Pages | 163-170 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Catalytic synthesis and transmission electron microscopy (TEM) of multi-wall carbon nanotubes are presented. Silica, zeolite and alumina supported cobalt catalysts were prepared by different methods (impregnation and ion-adsorption precipitation) and were used to produce nanotubes. The synthesis was carried out in a fixed bed flow reactor and the process was optimized in order to produce carbon nanotubes on a gram scale. The influence of various parameters such as the method of catalyst preparation, the nature of the support, cobalt concentration and reaction conditions on the formation of nanotubes was investigated. The carbon deposits were measured and the quality of nanotubes was determined by low and high resolution TEM. Multi-wall straight and coiled nanotubes were found to be fairly regular with an average inner (outer) diameter of 4-7 nm (8-23 nm) and with lengths up to 0.1 mm. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Cambridge | Editor | ||
| Language | Wos | 000084333800025 | Publication Date | 2002-07-26 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1463-9076;1463-9084; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.123 | Times cited | 53 | Open Access | |
| Notes | Approved | Most recent IF: 4.123; 2000 IF: 1.653 | |||
| Call Number | UA @ lucian @ c:irua:102889 | Serial | 2723 | ||
| Permanent link to this record | |||||
| Author | Pramanik, G.; Kvakova, K.; Thottappali, M.A.; Rais, D.; Pfleger, J.; Greben, M.; El-Zoka, A.; Bals, S.; Dracinsky, M.; Valenta, J.; Cigler, P. | ||||
| Title | Inverse heavy-atom effect in near infrared photoluminescent gold nanoclusters | Type | A1 Journal Article | ||
| Year | 2021 | Publication | Nanoscale | Abbreviated Journal | Nanoscale |
| Volume | 13 | Issue | 23 | Pages | 10462-10467 |
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | Fluorophores functionalized with heavy elements show enhanced intersystem crossing due to increased spin–orbit coupling, which in turn shortens the fluorescence decay lifetime (<italic>τ</italic><sup>PL</sup>). This phenomenon is known as the heavy-atom effect (HAE). Here, we report the observation of increased<italic>τ</italic><sup>PL</sup>upon functionalisation of near-infrared photoluminescent gold nanoclusters with iodine. The heavy atom-mediated increase in<italic>τ</italic><sup>PL</sup>is in striking contrast with the HAE and referred to as inverse HAE. Femtosecond and nanosecond transient absorption spectroscopy revealed overcompensation of a slight decrease in lifetime of the transition associated with the Au core (ps) by a large increase in the long-lived triplet state lifetime associated with the Au shell, which contributed to the observed inverse HAE. This unique observation of inverse HAE in gold nanoclusters provides the means to enhance the triplet excited state lifetime. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2021-05-24 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2040-3364 | ISBN | Additional Links | ||
| Impact Factor | 7.367 | Times cited | 7 | Open Access | OpenAccess |
| Notes | The authors acknowledge support from GACR project Nr.18- 12533S. G. P. acknowledges support from EUSMI project No. E180200060; J.P. from the Ministry of Education, Youth and Sports of the Czech Republic – Program INTER-EXCELLENCE (LTAUSA19066). | Approved | Most recent IF: 7.367 | ||
| Call Number | EMAT @ emat @ | Serial | 6950 | ||
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| Author | Vervloessem, E.; Gorbanev, Y.; Nikiforov, A.; De Geyter, N.; Bogaerts, A. | ||||
| Title | Sustainable NOxproduction from air in pulsed plasma: elucidating the chemistry behind the low energy consumption | Type | A1 Journal article | ||
| Year | 2022 | Publication | Green Chemistry | Abbreviated Journal | Green Chem |
| Volume | 24 | Issue | 2 | Pages | 916-929 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | N-Based fertilisers are paramount to support our still-growing world population. Current industrial N<sub>2</sub>fixation is heavily fossil fuel-dependent, therefore, a lot of work is put into the development of fossil-free pathways. Plasma technology offers a fossil-free and flexible method for N<sub>2</sub>fixation that is compatible with renewable energy sources. We present here a pulsed plasma jet for direct NO<sub><italic>x</italic></sub>production from air. The pulsed power allows for a record-low energy consumption (EC) of 0.42 MJ (mol N)<sup>−1</sup>. This is the lowest reported EC in plasma-based N<sub>2</sub>fixation at atmospheric pressure thus far. We compare our experimental data with plasma chemistry modelling, and obtain very good agreement. Hence, we can use our model to explain the underlying mechanisms responsible for this low EC. The pulsed power and the corresponding pulsed gas temperature are the reason for the very low EC: they provide a strong vibrational–translational non-equilibrium and promote the non-thermal Zeldovich mechanism. This insight is important for the development of the next generation of plasma sources for energy-efficient NO<sub><italic>x</italic></sub>production. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000739578400001 | Publication Date | 2021-12-22 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1463-9262 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 9.8 | Times cited | Open Access | Not_Open_Access | |
| Notes | H2020 European Research Council, grant agreement no. 810182 – SCOPE ERC Synergy project ; Herculesstichting; Fonds Wetenschappelijk Onderzoek, EOS ID 30505023 FWO grant ID GoF9618n ; Universiteit Antwerpen; This research was supported by the Excellence of Science FWO-FNRS project (NITROPLASM, FWO grant ID GoF9618n, EOS ID 30505023), the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement no. 810182 – SCOPE ERC Synergy project), and through long-term structural funding (Methusalem). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (Department EWI) and the UAntwerpen. We thank E. H. Choi and coworkers from the Plasma Bioscience Research Center (Korea) for providing the Soft Jet plasma source, as well as K. van’t Veer and C. Verheyen for the fruitful discussion on the electron loss fraction calculations. The graphical abstract was designed using resources from Flaticon.com. | Approved | Most recent IF: 9.8 | ||
| Call Number | PLASMANT @ plasmant @c:irua:185450 | Serial | 6906 | ||
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| Author | Paria Sena, R.; Babaryk, A.A.; Khainakov, S.; Garcia-Granda, S.; Slobodyanik, N.S.; Van Tendeloo, G.; Abakumov, A.M.; Hadermann, J. | ||||
| Title | A pseudo-tetragonal tungsten bronze superstructure: a combined solution of the crystal structure of K6.4(Nb,Ta)36.3O94 with advanced transmission electron microscopy and neutron diffraction | Type | A1 Journal article | ||
| Year | 2016 | Publication | Journal of the Chemical Society : Dalton transactions | Abbreviated Journal | Dalton T |
| Volume | 45 | Issue | 45 | Pages | 973-979 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The crystal structure of the K6.4Nb28.2Ta8.1O94 pseudo-tetragonal tungsten bronze-type oxide was determined using a combination of X-ray powder diffraction, neutron diffraction and transmission electron microscopy techniques, including electron diffraction, high angle annular dark field scanning transmission electron microscopy (HAADF-STEM), annular bright field STEM (ABF-STEM) and energy-dispersive X-ray compositional mapping (STEM-EDX). The compound crystallizes in the space group Pbam with unit cell parameters a = 37.468(9) A, b = 12.493(3) A, c = 3.95333(15) A. The structure consists of corner sharing (Nb,Ta)O6 octahedra forming trigonal, tetragonal and pentagonal tunnels. All tetragonal tunnels are occupied by K(+) ions, while 1/3 of the pentagonal tunnels are preferentially occupied by Nb(5+)/Ta(5+) and 2/3 are occupied by K(+) in a regular pattern. A fractional substitution of K(+) in the pentagonal tunnels by Nb(5+)/Ta(5+) is suggested by the analysis of the HAADF-STEM images. In contrast to similar structures, such as K2Nb8O21, also parts of the trigonal tunnels are fractionally occupied by K(+) cations. | ||||
| Address | Electron Microscopy for Materials Research (EMAT), University of Antwerp, Groenenborgerlaan 171, B-2020, Antwerp, Belgium. joke.hadermann@uantwerpen.be babaryk@univ.kiev.ua | ||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | English | Wos | 000367614700018 | Publication Date | 2015-11-23 |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1477-9226 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.029 | Times cited | 6 | Open Access | |
| Notes | We thank Dr E. Suard and Dr O. Fabello for assistance in collecting the neutron diffraction data. R.P.S. acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC Grant No. 246791-COUNTATOMS. The titan microscope was partly funded by the Hercules fund from the Flemish Government. The authors acknowledge financial support from the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure Initiative. Reference No. 312483-ESTEEM2. AAB acknowledges the JSPDS ICDD Grant-in-Aid program (12-02).; esteem2jra1; esteem2jra2 | Approved | Most recent IF: 4.029 | ||
| Call Number | c:irua:130408 c:irua:130408 | Serial | 3998 | ||
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| Author | Peng, L.; Sun, J.; Liu, Y.; Dai, X.; Ni, B.-J. | ||||
| Title | Nitrous oxide production in a granule-based partial nitritation reactor : a model-based evaluation | Type | A1 Journal article | ||
| Year | 2017 | Publication | Scientific reports | Abbreviated Journal | |
| Volume | 7 | Issue | Pages | 45609 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Sustainable wastewater treatment has been attracting increasing attentions over the past decades. However, the production of nitrous oxide (N2O), a potent GHG, from the energy-efficient granule-based autotrophic nitrogen removal is largely unknown. This study applied a previously established N2O model, which incorporated two N2O production pathways by ammonia-oxidizing bacteria (AOB) (AOB denitrification and the hydroxylamine (NH2OH) oxidation). The two-pathway model was used to describe N2O production from a granule-based partial nitritation (PN) reactor and provide insights into the N2O distribution inside granules. The model was evaluated by comparing simulation results with N2O monitoring profiles as well as isotopic measurement data from the PN reactor. The model demonstrated its good predictive ability against N2O dynamics and provided useful information about the shift of N2O production pathways inside granules for the first time. The simulation results indicated that the increase of oxygen concentration and granule size would significantly enhance N2O production. The results further revealed a linear relationship between N2O production and ammonia oxidation rate (AOR) (R-2 = 0.99) under the conditions of varying oxygen levels and granule diameters, suggesting that bulk oxygen and granule size may exert an indirect effect on N2O production by causing a change in AOR. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000398238200001 | Publication Date | 2017-04-03 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2045-2322 | 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:142397 | Serial | 8311 | ||
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| Author | Jany, B.R.; Gauquelin, N.; Willhammar, T.; Nikiel, M.; van den Bos, K.H.W.; Janas, A.; Szajna, K.; Verbeeck, J.; Van Aert, S.; Van Tendeloo, G.; Krok, F. | ||||
| Title | Controlled growth of hexagonal gold nanostructures during thermally induced self-assembling on Ge(001) surface | Type | A1 Journal article | ||
| Year | 2017 | Publication | Scientific reports | Abbreviated Journal | Sci Rep-Uk |
| Volume | 7 | Issue | 7 | Pages | 42420 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Nano-sized gold has become an important material in various fields of science and technology, where control over the size and crystallography is desired to tailor the functionality. Gold crystallizes in the face-centered cubic (fcc) phase, and its hexagonal closed packed (hcp) structure is a very unusual and rare phase. Stable Au hcp phase has been reported to form in nanoparticles at the tips of some Ge nanowires. It has also recently been synthesized in the form of thin graphene-supported sheets which are unstable under electron beam irradiation. Here, we show that stable hcp Au 3D nanostructures with well-defined crystallographic orientation and size can be systematically created in a process of thermally induced self-assembly of thin Au layer on Ge(001) monocrystal. The Au hcp crystallite is present in each Au nanostructure and has been characterized by different electron microscopy techniques. We report that a careful heat treatment above the eutectic melting temperature and a controlled cooling is required to form the hcp phase of Au on a Ge single crystal. This new method gives scientific prospects to obtain stable Au hcp phase for future applications in a rather simple manner as well as redefine the phase diagram of Gold with Germanium. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000393940700001 | Publication Date | 2017-02-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2045-2322 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.259 | Times cited | 25 | Open Access | OpenAccess |
| Notes | The authors gratefully acknowledge the financial support from the Polish National Science Center, grant no. DEC-2012/07/B/ST5/00906. N.G., G.V.T. and J.V. acknowledge the European Union (EU) Council under the 7th Framework Program (FP7) ERC Starting Grant 278510 VORTEX for support. The Research Foundation Flanders is acknowledged through project fundings (G.0374.13N, G.0368.15N, G.0369.15N) and for a Ph.D. research grant to K.H.W.v.d.B. The microscope was partly funded by the Hercules Fund from the Flemish Government. T.W. acknowledges the Swedish Research Council for an international postdoc grant. The research leading to these results has received funding from the European Union Seventh Framework Programme under Grant Agreement 312483–ESTEEM2 (Integrated Infrastructure Initiative–I3). Part of the research was carried out with equipment purchased with financial support from the European Regional Development Fund in the framework of the Polish Innovation Economy Operational Program (Contract No. POIG.02.01.00-12-023/08). | Approved | Most recent IF: 4.259 | ||
| Call Number | EMAT @ emat @ c:irua:140846UA @ admin @ c:irua:140846 | Serial | 4423 | ||
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| Author | Van der Paal, J.; Verheyen, C.; Neyts, E.C.; Bogaerts, A. | ||||
| Title | Hampering Effect of Cholesterol on the Permeation of Reactive Oxygen Species through Phospholipids Bilayer: Possible Explanation for Plasma Cancer Selectivity | Type | A1 Journal article | ||
| Year | 2017 | Publication | Scientific reports | Abbreviated Journal | Sci Rep-Uk |
| Volume | 7 | Issue | 7 | Pages | 39526 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | In recent years, the ability of cold atmospheric pressure plasmas (CAPS) to selectively induce cell death in cancer cells has been widely established. This selectivity has been assigned to the reactive oxygen and nitrogen species (RONS) created in CAPs. To provide new insights in the search for an explanation for the observed selectivity, we calculate the transfer free energy of multiple ROS across membranes containing a varying amount of cholesterol. The cholesterol fraction is investigated as a selectivity parameter because membranes of cancer cells are known to contain lower fractions of cholesterol compared to healthy cells. We find that cholesterol has a significant effect on the permeation of reactive species across a membrane. Indeed, depending on the specific reactive species, an increasing cholesterol fraction can lead to (i) an increase of the transfer free energy barrier height and width, (ii) the formation of a local free energy minimum in the center of the membrane and (iii) the creation of extra free energy barriers due to the bulky sterol rings. In the context of plasma oncology, these observations suggest that the increased ingress of RONS in cancer cells can be explained by the decreased cholesterol fraction of their cell membrane. |
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000391306900001 | Publication Date | 2017-01-06 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2045-2322 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.259 | Times cited | 27 | Open Access | OpenAccess |
| Notes | The authors acknowledge financial support from the Fund for Scientific Research (FWO) Flanders, grant number 11U5416N. The calculations were performed in part using the Turing HPC infrastructure of 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. | Approved | Most recent IF: 4.259 | ||
| Call Number | PLASMANT @ plasmant @ c:irua:139512 | Serial | 4340 | ||
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