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Author Houssa, M.; van den Broek, B.; Scalise, E.; Ealet, B.; Pourtois, G.; Chiappe, D.; Cinquanta, E.; Grazianetti, C.; Fanciulli, M.; Molle, A.; Afanas’ev, V.V.; Stesmans, A.;
  Title Theoretical aspects of graphene-like group IV semiconductors Type A1 Journal article
  Year 2014 Publication Applied surface science Abbreviated Journal Appl Surf Sci
  Volume 291 Issue Pages 98-103
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Silicene and germanene are the silicon and germanium counterparts of graphene, respectively. Recent experimental works have reported the growth of silicene on (1 1 1)Ag surfaces with different atomic configurations, depending on the growth temperature and surface coverage. We first theoretically study the structural and electronic properties of silicene on (1 1 1) Ag surfaces, focusing on the (4 x 4) silicene/Ag structure. Due to symmetry breaking in the silicene layer (nonequivalent number of top and bottom Si atoms), the corrugated silicene layer, with the Ag substrate removed, is predicted to be semiconducting, with a computed energy bandgap of about 0.3 eV. However, the hybridization between the Si 3p orbitals and the Ag 5s orbital in the silicene/(1 1 1)Ag slab model leads to an overall metallic system, with a distribution of local electronic density of states, which is related to the slightly disordered structure of the silicene layer on the (1 1 1)Ag surface. We next study the interaction of silicene and germanene with different hexagonal non-metallic substrates, namely ZnS and ZnSe. On reconstructed (0 0 0 1)ZnS or ZnSe surfaces, which should be more energetically stable for very thin layers, silicene and germanene are found to be semiconducting. Remarkably, the nature and magnitude of their energy bandgap can be controlled by an out-of-plane electric field, an important finding for the potential use of these materials in nanoelectronic devices. (C) 2013 Elsevier B. V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000329327700022 Publication Date 2013-09-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0169-4332; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.387 Times cited 20 Open Access
  Notes Approved Most recent IF: 3.387; 2014 IF: 2.711
  Call Number UA @ lucian @ c:irua:113765 Serial 3603
Permanent link to this record
 

 
Author Neyts, E.C.; Bogaerts, A.
  Title Understanding plasma catalysis through modelling and simulation : a review Type A1 Journal article
  Year 2014 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
  Volume 47 Issue 22 Pages 224010
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Plasma catalysis holds great promise for environmental applications, provided that the process viability can be maximized in terms of energy efficiency and product selectivity. This requires a fundamental understanding of the various processes taking place and especially the mutual interactions between plasma and catalyst. In this review, we therefore first examine the various effects of the plasma on the catalyst and of the catalyst on the plasma that have been described in the literature. Most of these studies are purely experimental. The urgently needed fundamental understanding of the mechanisms underpinning plasma catalysis, however, may also be obtained through modelling and simulation. Therefore, we also provide here an overview of the modelling efforts that have been developed already, on both the atomistic and the macroscale, and we identify the data that can be obtained with these models to illustrate how modelling and simulation may contribute to this field. Last but not least, we also identify future modelling opportunities to obtain a more complete understanding of the various underlying plasma catalytic effects, which is needed to provide a comprehensive picture of plasma catalysis.
  Address
  Corporate Author Thesis
  Publisher Iop publishing ltd Place of Publication Bristol Editor
  Language Wos 000336207900011 Publication Date 2014-05-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.588 Times cited 130 Open Access
  Notes Approved Most recent IF: 2.588; 2014 IF: 2.721
  Call Number UA @ lucian @ c:irua:116920 Serial 3803
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Author Dufour, T.; Minnebo, J.; Abou Rich, S.; Neyts, E.C.; Bogaerts, A.; Reniers, F.
  Title Understanding polyethylene surface functionalization by an atmospheric He/O2 plasma through combined experiments and simulations Type A1 Journal article
  Year 2014 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
  Volume 47 Issue 22 Pages 224007
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract High density polyethylene surfaces were exposed to the atmospheric post-discharge of a radiofrequency plasma torch supplied in helium and oxygen. Dynamic water contact angle measurements were performed to evaluate changes in surface hydrophilicity and angle resolved x-ray photoelectron spectroscopy was carried out to identify the functional groups responsible for wettability changes and to study their subsurface depth profiles, up to 9 nm in depth. The reactions leading to the formation of CO, C = O and OC = O groups were simulated by molecular dynamics. These simulations demonstrate that impinging oxygen atoms do not react immediately upon impact but rather remain at or close to the surface before eventually reacting. The simulations also explain the release of gaseous species in the ambient environment as well as the ejection of low molecular weight oxidized materials from the surface.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000336207900008 Publication Date 2014-05-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.588 Times cited 13 Open Access
  Notes Approved Most recent IF: 2.588; 2014 IF: 2.721
  Call Number UA @ lucian @ c:irua:116919 Serial 3804
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Author Scalise, E.; Cinquanta, E.; Houssa, M.; van den Broek, B.; Chiappe, D.; Grazianetti, C.; Pourtois, G.; Ealet, B.; Molle, A.; Fanciulli, M.; Afanas’ev, V.V.; Stesmans, A.;
  Title Vibrational properties of epitaxial silicene layers on (111) Ag Type A1 Journal article
  Year 2014 Publication Applied surface science Abbreviated Journal Appl Surf Sci
  Volume 291 Issue Pages 113-117
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The electronic and vibrational properties of three different reconstructions of silicene on Ag(1 1 1) are calculated and compared to experimental results. The 2D epitaxial silicon layers, namely the (4 x 4), (root 13 x root 13) and (2 root 3 x 2 root 3) phases, exhibit different electronic and vibrational properties. Few peaks in the experimental Raman spectrum are identified and attributed to the vibrational modes of the silicene layers. The position and behavior of the Raman peaks with respect to the excitation energy are shown to be a fundamental tool to investigate and discern different phases of silicene on Ag( 1 1 1). (C) 2013 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000329327700025 Publication Date 2013-09-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0169-4332; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.387 Times cited 36 Open Access
  Notes Approved Most recent IF: 3.387; 2014 IF: 2.711
  Call Number UA @ lucian @ c:irua:113767 Serial 3843
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Author Mees, M.J.; Pourtois, G.; Rosciano, F.; Put, B.; Vereecken, P.M.; Stesmans, A.
  Title First-principles material modeling of solid-state electrolytes with the spinel structure Type A1 Journal article
  Year 2014 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
  Volume Issue Pages
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Ionic diffusion through the novel (AlxMg1-2xLix)Al2O4 spinel electrolyte is investigated using first-principles calculations, combined with the Kinetic Monte Carlo algorithm. We observe that the ionic diffusion increases with the lithium content x. Furthermore, the structural parameters, formation enthalpies and electronic structures of (AlxMg1-2xLix)Al2O4 are calculated for various stoichiometries. The overall results indicate the (AlxMg1-2xLix)Al2O4 stoichiometries x = 0.2...0.3 as most promising. The (AlxMg1-2xLix)Al2O4 electrolyte is a potential candidate for the all-spinel solid-state battery stack, with the material epitaxially grown between well-known spinel electrodes, such as LiyMn2O4 and Li4+3yTi5O12 (y = 0...1). Due to their identical crystal structure, a good electrolyte-electrode interface is expected.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000332395700048 Publication Date 2014-02-07
  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 8 Open Access
  Notes Approved Most recent IF: 4.123; 2014 IF: 4.493
  Call Number UA @ lucian @ c:irua:128893 Serial 4520
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Author van den Broek, B.; Houssa, M.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A.
  Title Two-dimensional hexagonal tin : ab initio geometry, stability, electronic structure and functionalization Type A1 Journal article
  Year 2014 Publication 2D materials Abbreviated Journal 2D Mater
  Volume 1 Issue Pages 021004
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract We study the structural, mechanical and electronic properties of the two-dimensional (2D) allotrope of tin: tinene/stanene using first-principles calculation within density functional theory, implemented in a set of computer codes. Continuing the trend of the group-IV 2D materials graphene, silicene and germanene; tinene is predicted to have a honeycomb lattice with lattice parameter of a(0) = 4.62 angstrom and a buckling of d(0) = 0.92 angstrom. The electronic dispersion shows a Dirac cone with zero gap at the Fermi energy and a Fermi velocity of v(F) = 0.97 x 10(6) m s(-1); including spin-orbit coupling yields a bandgap of 0.10 eV. The monolayer is thermally stable up to 700 K, as indicated by first-principles molecular dynamics, and has a phonon dispersion without imaginary frequencies. We explore applied electric field and applied strain as functionalization mechanisms. Combining these two mechanisms allows for an induced bandgap up to 0.21 eV, whilst retaining the linear dispersion, albeit with degraded electronic transport parameters.
  Address
  Corporate Author Thesis
  Publisher IOP Publishing Place of Publication Bristol Editor
  Language Wos 000353650400004 Publication Date 2014-08-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.937 Times cited 58 Open Access
  Notes Approved Most recent IF: 6.937; 2014 IF: NA
  Call Number UA @ lucian @ c:irua:134432 Serial 4530
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Author Hellemans, K.; Vincke, A.; Cagno, S.; Herremans, D.; De Clercq, W.; Janssens, K.
  Title Composition and state of alteration of 18th-century glass finds found at the Cistercian nunnery of Clairefontaine, Belgium Type A1 Journal article
  Year 2014 Publication Journal of archaeological science Abbreviated Journal J Archaeol Sci
  Volume 47 Issue Pages 121-133
  Keywords (down) A1 Journal article; Philosophy; History; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract A hundred 18th-century glass fragments were recovered at the Clairefontaine monastery in the Belgian province of Luxembourg. They were analysed by a combination of SEM-EDX and LA-ICP-MS in order to determine their major composition as well as their trace element signature. Multivariate statistical methods such as hierarchical clustering and principal component analysis were used to divide the glass fragments into four main groups: potassium-rich glass, sodium-rich glass, potassium/lime-rich glass and high-lime-low-alkali glass. Within every group, not only a similarity in composition is observed, but also in colour, morphology and deterioration patterns. Potash glass fragments are the most abundant and show extensive deterioration; two classes of potash glass were identified: one similar to certain Central European glass compositions, while the other one, characterised by large variations in potash: lime ratio, may be attributed to local (regional) glass production. (C) 2014 Elsevier Ltd. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000339037300012 Publication Date 2014-04-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0305-4403 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.602 Times cited 12 Open Access
  Notes ; Archaeological fieldwork at Clairefontaine was directed by Prof. Dr. J. De Meulemeester (dagger) and financed by the Walloon Government. Post-excavation research is carried out within the framework of the PhD-project (FNR Luxembourg BFR06-80): “The material culture of Clairefontaine abbey”. This investigation was supported by the Interuniversity Attraction Poles Programme (Belgian Science Policy – IUAP VI/16) and by the HERCULES foundation. This work was partly supported by the Research Council of Norway through its Centres of Excellence funding scheme, project number 223268/F50. ; Approved Most recent IF: 2.602; 2014 IF: 2.196
  Call Number UA @ admin @ c:irua:118711 Serial 5536
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Author Cagno, S.; Cosyns, P.; Izmer, A.; Vanhaecke, F.; Nys, K.; Janssens, K.
  Title Deeply colored and black-appearing Roman glass : a continued research Type A1 Journal article
  Year 2014 Publication Journal of archaeological science Abbreviated Journal J Archaeol Sci
  Volume 42 Issue Pages 128-139
  Keywords (down) A1 Journal article; Philosophy; History; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract In the context of archaeological and historical assessment of Roman black-appearing glass, the chemical and physical characterization of a large collection of samples originating from various areas of the Roman Empire has been gathered over the past years to (i) verify whether a minor segment of the overall Roman glass production can help in determining possible diachronic changes in Roman imperial glass production (1st century AD – 5th century AD) and (ii) reveal regional compositional differences. In this paper, the latest results on the chemical composition of an additional 44 black-appearing Roman glass samples are presented, together with general conclusions based upon the entire compositional dataset of over 400 analyzed black glass samples. The results show that the Roman black glass is obtained through several glass compositions with a specific chronological, geographical and typological distribution. (C) 2013 Elsevier Ltd. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000332133100011 Publication Date 2013-11-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0305-4403 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.602 Times cited 18 Open Access
  Notes ; This research was supported by the Interuniversity Attraction Poles Programme – Belgian Science Policy (IUAP VI/16) and the Hercules fund, Brussels (grant A11/ 0387). The text also presents results of GOA “XANES meets ELNES” (Research Fund University of Antwerp, Belgium), FWO (Brussels, Belgium) projects no. G.0704.08 and G.01769.09, and VUB project OZR-BOF 1247. This work was partly supported by the Research Council of Norway through its Centres of Excellence funding scheme, project number 223268/F50. ; Approved Most recent IF: 2.602; 2014 IF: 2.196
  Call Number UA @ admin @ c:irua:115865 Serial 5567
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Author Abreu, Y.; Cruz, C.M.; Pinera, I.; Leyva, A.; Cabal, A.E.; van Espen, P.; Van Remortel, N.
  Title Hyperfine electric parameters calculation in Si samples implanted with 57Mn\rightarrow57Fe Type A1 Journal article
  Year 2014 Publication Physica: B : condensed matter Abbreviated Journal
  Volume 445 Issue Pages 1-4
  Keywords (down) A1 Journal article; Particle Physics Group; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract Nowadays the electronic structure calculations allow the study of complex systems determining the hyperfine parameters measured at a probe atom, including the presence of crystalline defects. The hyperfine electric parameters have been measured by Mossbauer spectroscopy in silicon materials implanted with Mn-57 ->,Fe-57 ions, observing four main contributions to the spectra. Nevertheless, some ambiguities still remain in the Fe-57 Mossbauer spectra interpretation in this case, regarding the damage configurations and its evolution with annealing. In the present work several implantation environments are evaluated and the Fe-57 hyperfine parameters are calculated. The observed correlation among the studied local environments and the experimental observations is presented, and a tentative microscopic description of the behavior and thermal evolution of the characteristic defects local environments of the probe atoms concerning the location of vacancies and interstitial Si in the neighborhood of Fe-57 ions in substitutional and interstitial sites is proposed. (C) 2014 Elsevier B.V. All rights reserved
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000336478700001 Publication Date 2014-03-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0921-4526; 1873-2135 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:117697 Serial 8046
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Author Deng, S.; Verbruggen, S.W.; Lenaerts, S.; Martens, J.A.; Van den Berghe, S.; Devloo-Casier, K.; Devulder, W.; Dendoover, J.; Deduytsche, D.; Detavernier, C.
  Title Controllable nitrogen doping in as deposited TiO2 film and its effect on post deposition annealing Type A1 Journal article
  Year 2014 Publication Journal of vacuum science and technology: A: vacuum surfaces and films Abbreviated Journal J Vac Sci Technol A
  Volume 32 Issue 1 Pages 01a123
  Keywords (down) A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract In order to narrow the band gap of TiO2, nitrogen doping by combining thermal atomic layer deposition (TALD) of TiO2 and plasma enhanced atomic layer deposition (PEALD) of TiN has been implemented. By altering the ratio between TALD TiO2 and PEALD TiN, the as synthesized TiOxNy films showed different band gaps (from 1.91 eV to 3.14 eV). In situ x-ray diffraction characterization showed that the crystallization behavior of these films changed after nitrogen doping. After annealing in helium, nitrogen doped TiO2 films crystallized into rutile phase while for the samples annealed in air a preferential growth of the anatase TiO2 along (001) orientation was observed. Photocatalytic tests of the degradation of stearic acid were done to evaluate the effect of N doping on the photocatalytic activity.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000335847600023 Publication Date 2013-12-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0734-2101 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.374 Times cited 10 Open Access
  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)/ERC grant agreement Nos. 239865-COCOON and 246791-COUNTATO. The authors also acknowledge the support from UGENT-GOA-01G01513 and IWT-SBO SOSLion. J.A.M. acknowledges the Flemish government for long-term structural funding (Methusalem). J.D. acknowledges the Flemisch FWO for a postdoctoral fellowship. ; Approved Most recent IF: 1.374; 2014 IF: 2.322
  Call Number UA @ admin @ c:irua:117296 Serial 5936
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Author Van Eynde, E.; Lenaerts, B.; Tytgat, T.; Verbruggen, S.W.; Hauchecorne, B.; Blust, R.; Lenaerts, S.
  Title Effect of pretreatment and temperature on the properties of Pinnularia biosilica frustules Type A1 Journal article
  Year 2014 Publication RSC advances Abbreviated Journal Rsc Adv
  Volume 4 Issue Pages 56200-56206
  Keywords (down) A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Diatoms are unicellular microalgae that self-assemble an intricate porous silica cell wall, called frustule. Diatom frustules possess a unique combination of physical and chemical properties (chemical inertness, high mechanical strength, large surface area, low density, good porosity and highly ordered features on the nano-to-micro scale) making diatom frustules suited for many nanotechnological applications. For most proposed applications the organic material covering the frustules needs to be removed. In this paper we investigate the effect of different frustule cleaning methods (drying, autoclavation, SDS/EDTA treatment, H2O2 treatment and HNO3 treatment) and subsequent heat treatment at different temperatures (105 °C, 350 °C, 550 °C and 750 °C) on the material characteristics of the diatom Pinnularia sp. Material characteristics under study are morphology, surface area, pore size, elemental composition and organic content. The cleaned Pinnularia frustules are subsequently investigated as adsorbents to remove methylene blue (MB) from aqueous solution.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000344997800060 Publication Date 2014-10-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2046-2069 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.108 Times cited 10 Open Access
  Notes ; ; Approved Most recent IF: 3.108; 2014 IF: 3.840
  Call Number UA @ admin @ c:irua:121377 Serial 5945
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Author De Baere, K.; Verstraelen, H.; Lemmens, L.; Lenaerts, S.; Dewil, R.; Van Ingelgem, Y.; Potters, G.
  Title A field study of the effectiveness of sacrificial anodes in ballast tanks of merchant ships Type A1 Journal article
  Year 2014 Publication Journal of marine science and technology Abbreviated Journal J Mar Sci Tech-Japan
  Volume 19 Issue 1 Pages 116-123
  Keywords (down) A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Sacrificial anodes have become a standard practice for the protection of ballast tanks of merchant vessels against corrosive damage. A well protected tank should extend the life span of a ship and consequently enhances its economic value. An in situ survey comprising more than 100 merchant vessels provided the opportunity to measure the impact of these anodes on the life expectancy of these vessels. Contrary to the general belief of these anodes beneficial effect, no significant difference was found in our observations in terms of corrosion occurrence between ship populations with and without sacrificial anodes, across all ship ages. This may be explained by the highly variable conditions and the complex geometry in a ballast tank severely impede optimal and straightforward installation of these anodes in these tanks. Also, poorly placed anodes in it may harm the integrity of the coating of the tank. We therefore plead for uniform and clear rules on anode installation and inspection.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000332693300008 Publication Date 2013-07-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0948-4280 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 0.838 Times cited 3 Open Access
  Notes ; This work was financed by a BOF Academisation grant of the University of Antwerp and the Antwerp Maritime Academy. ; Approved Most recent IF: 0.838; 2014 IF: 0.805
  Call Number UA @ admin @ c:irua:109348 Serial 5953
Permanent link to this record
 

 
Author Tytgat, T.; Smits, M.; Lenaerts, S.; Verbruggen, S.W.
  Title Immobilization of TiO2 into self-supporting photocatalytic foam : influence of calcination temperature Type A1 Journal article
  Year 2014 Publication International journal of applied ceramic technology Abbreviated Journal Int J Appl Ceram Tec
  Volume 11 Issue 4 Pages 714-722
  Keywords (down) A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Immobilization of photocatalytic powder is crucial to obtain industrially relevant purification processes. To achieve this goal, self-supporting TiO2 foams were manufactured by a polyacrylamide gel process. These gels were calcined at different temperatures to study the effect of the calcination temperature on foam characteristics (rigidity, crystallinity, and porosity) and its influence on photocatalytic activity. The results show that an optimal degradation is achieved for those foams calcined between 700 and 800°C. Calcination at higher temperatures results in a steep decrease in activity, explained by stability issues of the material due to formation of Na2SO4 phases and a larger rutile fraction.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000339051500012 Publication Date 2013-04-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1546-542x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.048 Times cited 2 Open Access
  Notes ; This work was supported by a PhD grant from the Institute of Innovation by Science and Technology in Flanders (IWT). ; Approved Most recent IF: 1.048; 2014 IF: 1.320
  Call Number UA @ admin @ c:irua:117295 Serial 5960
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Author Verbruggen, S.W.; Tytgat, T.; Van Passel, S.; Martens, J.A.; Lenaerts, S.
  Title Cost-effectiveness analysis to assess commercial TiO2 photocatalysts for acetaldehyde degradation in air Type A1 Journal article
  Year 2014 Publication Chemicke zvesti Abbreviated Journal Chem Pap
  Volume 68 Issue 9 Pages 1273-1278
  Keywords (down) A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract In the commercialisation of photocatalytic air purifiers, the performance as well as the cost of the catalytic material plays an important role. Where most comparative studies only regard the photocatalytic activity as a decisive parameter, in this study both activity and cost are taken into account. Using a cost-effectiveness analysis, six different commercially available TiO2-based catalysts are evaluated in terms of their activities in photocatalytic degradation of acetaldehyde as a model reaction for indoor air purification.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000336443400015 Publication Date 2014-02-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0366-6352 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.258 Times cited 10 Open Access
  Notes ; S. W. V. wishes to thank the Research Foundation Flanders (FWO) for the financial support received. The authors are grateful to the University of Antwerp for supporting and funding this research. Evonik is sincerely thanked for providing catalyst samples for our experiments free of charge. All companies are thanked for providing specific pricing data. ; Approved Most recent IF: 1.258; 2014 IF: 1.468
  Call Number UA @ admin @ c:irua:117297 Serial 6174
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Author Xu, X.; Vereecke, G.; Chen, C.; Pourtois, G.; Armini, S.; Verellen, N.; Tsai, W.K.; Kim, D.W.; Lee, E.; Lin, C.Y.; Van Dorpe, P.; Struyf, H.; Holsteyns, F.; Moshchalkov, V.; Indekeu, J.; De Gendt, S.;
  Title Capturing wetting states in nanopatterned silicon Type A1 Journal article
  Year 2014 Publication ACS nano Abbreviated Journal Acs Nano
  Volume 8 Issue 1 Pages 885-893
  Keywords (down) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Spectacular progress in developing advanced Si circuits with reduced size, along the track of Moore's law, has been relying on necessary developments in wet cleaning of nanopatterned Si wafers to provide contaminant free surfaces. The most efficient cleaning is achieved when complete wetting can be realized. In this work, ordered arrays of silicon nanopillars on a hitherto unexplored small scale have been used to study the wetting behavior on nanomodulated surfaces in a substantial range of surface treatments and geometrical parameters. With the use of optical reflectance measurements, the nanoscale water imbibition depths have been measured and the transition to the superhydrophobic Cassie-Baxter state has been accurately determined. For pillars of high aspect ratio (about 15), the transition occurs even when the surface is grafted with a hydrophilic functional group. We have found a striking consistent deviation between the contact angle measurements and the straightforward application of the classical wetting models. Molecular dynamics simulations show that these deviations can be attributed to the long overlooked atomic-scale surface perturbations that are introduced during the nanofabrication process. When the transition condition is approached, transient states of partial imbibition that characterize intermediate states between the Wenzel and Cassie-Baxter states are revealed in our experiments.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000330542900092 Publication Date 2013-12-31
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1936-0851;1936-086X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 13.942 Times cited 39 Open Access
  Notes Approved Most recent IF: 13.942; 2014 IF: 12.881
  Call Number UA @ lucian @ c:irua:114871 Serial 276
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Author Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A.
  Title First-principles study of strained 2D MoS2 Type A1 Journal article
  Year 2014 Publication Physica. E: Low-dimensional systems and nanostructures Abbreviated Journal Physica E
  Volume 56 Issue Pages 416-421
  Keywords (down) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The electronic and vibrational properties of 2D honeycomb structures of molybdenum disulfide (MoS2) subjected to strain have been investigated using first-principles calculations based on density functional theory. We have studied the evolution of the electronic properties of bulk and layered MoS2, going down from a few layers up to a mono-layer, and next investigated the effect of bi-axial strain on their electronic structure and vibrational frequencies. Both for tensile and compressive biaxial strains, the shrinking of the energy band-gap of MoS2 with increasing level of applied strain is observed and a transition limit of the system from semiconducting to metallic is predicted to occur for strains in the range of 8-10%. We also found a progressive downshift (upshift) of both the E-2g(1) and A(1g) Raman active modes with increasing level of applied tensile (compressive) strain. Interestingly, significant changes in the curvature of the conduction and valence band near their extrema upon the application of strain are also predicted, with correlated variations of the electron and hole effective masses. These changes present interesting possibilities for engineering the electronic properties of 2D structures of MoS2. (C) 2012 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher North-Holland Place of Publication Amsterdam Editor
  Language Wos 000330815800070 Publication Date 2012-08-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1386-9477; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.221 Times cited 72 Open Access
  Notes Approved Most recent IF: 2.221; 2014 IF: 2.000
  Call Number UA @ lucian @ c:irua:115761 Serial 1220
Permanent link to this record
 

 
Author Tinck, S.; Neyts, E.C.; Bogaerts, A.
  Title Fluorinesilicon surface reactions during cryogenic and near room temperature etching Type A1 Journal article
  Year 2014 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 118 Issue 51 Pages 30315-30324
  Keywords (down) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Cyrogenic etching of silicon is envisaged to enable better control over plasma processing in the microelectronics industry, albeit little is known about the fundamental differences compared to the room temperature process. We here present molecular dynamics simulations carried out to obtain sticking probabilities, thermal desorption rates, surface diffusion speeds, and sputter yields of F, F2, Si, SiF, SiF2, SiF3, SiF4, and the corresponding ions on Si(100) and on SiF13 surfaces, both at cryogenic and near room temperature. The different surface behavior during conventional etching and cryoetching is discussed. F2 is found to be relatively reactive compared to other species like SiF03. Thermal desorption occurs at a significantly lower rate under cryogenic conditions, which results in an accumulation of physisorbed species. Moreover, ion incorporation is often observed for ions with energies of 30400 eV, which results in a relatively low net sputter yield. The obtained results suggest that the actual etching of Si, under both cryogenic and near room temperature conditions, is based on the complete conversion of the Si surface to physisorbed SiF4, followed by subsequent sputtering of these molecules, instead of direct sputtering of the SiF03 surface.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000347360200101 Publication Date 2014-11-25
  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 11 Open Access
  Notes Approved Most recent IF: 4.536; 2014 IF: 4.772
  Call Number UA @ lucian @ c:irua:122957 Serial 1239
Permanent link to this record
 

 
Author Khalilov, U.; Bogaerts, A.; Neyts, E.C.
  Title Microscopic mechanisms of vertical graphene and carbon nanotube cap nucleation from hydrocarbon growth precursors Type A1 Journal article
  Year 2014 Publication Nanoscale Abbreviated Journal Nanoscale
  Volume 6 Issue 15 Pages 9206-9214
  Keywords (down) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Controlling and steering the growth of single walled carbon nanotubes is often believed to require controlling of the nucleation stage. Yet, little is known about the microscopic mechanisms governing the nucleation from hydrocarbon molecules. Specifically, we address here the dehydrogenation of hydrocarbon molecules and the formation of all-carbon graphitic islands on metallic nanoclusters from hydrocarbon molecules under conditions typical for carbon nanotube growth. Employing reactive molecular dynamics simulations, we demonstrate for the first time that the formation of a graphitic network occurs through the intermediate formation of vertically oriented, not fully dehydrogenated graphitic islands. Upon dehydrogenation of these vertical graphenes, the islands curve over the surface, thereby forming a carbon network covering the nanoparticle. The results indicate that controlling the extent of dehydrogenation offers an additional parameter to control the nucleation of carbon nanotubes.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000339861500103 Publication Date 2014-05-27
  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 21 Open Access
  Notes Approved Most recent IF: 7.367; 2014 IF: 7.394
  Call Number UA @ lucian @ c:irua:117950 Serial 2027
Permanent link to this record
 

 
Author Clima, S.; Govoreanu, B.; Jurczak, M.; Pourtois, G.
  Title HfOx as RRAM material : first principles insights on the working principles Type A1 Journal article
  Year 2014 Publication Microelectronic engineering Abbreviated Journal Microelectron Eng
  Volume 120 Issue Pages 13-18
  Keywords (down) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract First-principles simulations were employed to gain atomistic insights on the working principles of amorphous HfO2 based Resistive Random Access Memory stack: the nature of the defect responsible for the switching between the High and Low Resistive States has been unambiguously identified to be the substoichiometric Hf sites (commonly called oxygen vacancy-V-O) and the kinetics of the process have been investigated through the study of O diffusion. Also the role of each material layer in the TiN/HfO2/Hf/TiN RRAM stack and the impact of the deposition techniques have been examined: metallic Hf sputtering is needed to provide an oxygen exchange layer that plays the role of defect buffer. TiN shall be a good defect barrier for O but a bad defect buffer layer. A possible scenario to explain the device degradation (switching failure) mechanism has been proposed – the relaxation of the metastable amorphous phase towards crystalline structure leads to denser, more structured cluster that can increase the defect migration barriers. (C) 2013 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000336697300004 Publication Date 2013-08-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0167-9317; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.806 Times cited 22 Open Access
  Notes Approved Most recent IF: 1.806; 2014 IF: 1.197
  Call Number UA @ lucian @ c:irua:117767 Serial 3535
Permanent link to this record
 

 
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 (down) 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.
  Address
  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
Permanent link to this record
 

 
Author Pinera, I.; Cruz, C.M.; Leyva, A.; Abreu, Y.; Cabal, A.E.; van Espen, P.; Van Remortel, N.
  Title Improved calculation of displacements per atom cross section in solids by gamma and electron irradiation Type A1 Journal article
  Year 2014 Publication Interactions With Materials And Atoms Abbreviated Journal
  Volume 339 Issue Pages 1-7
  Keywords (down) A1 Journal article; Engineering sciences. Technology; Particle Physics Group; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract Several authors had estimated the displacements per atom cross sections under different approximations and models, including most of the main gamma- and electron-material interaction processes. These previous works used numerical approximation formulas which are applicable for limited energy ranges. We proposed the Monte Carlo assisted Classical Method (MCCM), which relates the established theories about atom displacements to the electron and positron secondary fluence distributions calculated from the Monte Carlo simulation. In this study the MCCM procedure is adapted in order to estimate the displacements per atom cross sections for gamma and electron irradiation. The results obtained through this procedure are compared with previous theoretical calculations. An improvement in about 10-90% for the gamma irradiation induced dpa cross section is observed in our results on regard to the previous evaluations for the studied incident energies. On the other hand, the dpa cross section values produced by irradiation with electrons are improved by our calculations in about 5-50% when compared with the theoretical approximations. When thin samples are irradiated with electrons, more precise results are obtained through the MCCM (in about 20-70%) with respect to the previous studies. (C) 2014 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000343785500001 Publication Date 2014-09-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0168-583x 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:121161 Serial 8069
Permanent link to this record
 

 
Author Daems, D.; De Wael, K.; Vissenberg, K.; Van Camp, G.; Nagels, L.
  Title Potentiometric sensors doped with biomolecules as a new approach to small molecule/biomolecule binding kinetics analysis Type A1 Journal article
  Year 2014 Publication Biosensors and bioelectronics Abbreviated Journal Biosens Bioelectron
  Volume 54 Issue Pages 515-520
  Keywords (down) A1 Journal article; Engineering sciences. Technology; Integrated Molecular Plant Physiology Research (IMPRES); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract The most successful binding kinetics analysis systems at this moment include surface plasmon resonance (SPR), quartz microcrystal balance (QMB) and surface acoustic wave (SAW). Although these are powerful methods, they generally are complex, expensive and require the use of monolayers. Here, we report on potentiometric sensors as an inexpensive and simple alternative to do binding kinetics analysis between small molecules in solution and biomolecules (covalently) attached in a biopolymer sensor coating layer. As an example, dopamine and an anti-dopamine aptamer were used as the small molecule and the biomolecule respectively. Binding between both follows a Langmuir adsorption type model and creates a surface potential. The system operates in Flow Injection Analysis mode (FIA). Besides being an interesting new binding kinetics tool, the approach allows systematic design of potentiometric biosensors (in the present study a dopamine sensor), and gives new insights into the functioning of ion-selective electrodes (ISEs).
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000333071500077 Publication Date 2013-11-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0956-5663 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.78 Times cited 10 Open Access
  Notes ; Financial support for this work was provided by the University of Antwerp by granting L.N. and G.V.C. a BOF interdisciplinary research project. ; Approved Most recent IF: 7.78; 2014 IF: 6.409
  Call Number UA @ admin @ c:irua:111678 Serial 5780
Permanent link to this record
 

 
Author Van Dael, M.; Marquez, N.; Reumerman, P.; Pelkmans, L.; Kuppens, T.; Van Passel, S.
  Title Development and techno-economic evaluation of a biorefinery based on biomass (waste) streams : case study in the Netherlands Type A1 Journal article
  Year 2014 Publication Biofuels Bioproducts & Biorefining-Biofpr Abbreviated Journal Biofuel Bioprod Bior
  Volume 8 Issue 5 Pages 635-644
  Keywords (down) A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
  Abstract In this paper, the technical and economic advantages of combining conversion technologies into a multi-dimensional plant primarily using regional biomass residues are investigated. The main objective is to show how locally available biomass can be used more efficiently as a source for renewable energy and bio-based products. Therefore, not only is the theoretical perspective considered, but also a reality check for the local situation is taken into account. Although industrial attitude toward biorefineries is positive, the efficient production of a portfolio of bio-based products has not yet been implemented. A biorefinery concept for Moerdijk (the Netherlands) was developed, focusing on grass refining, production of pyrolysis oil, biodiesel production, and bio-LNG production. Grass refining is the most experimental technique of all proposed conversion techniques. In terms of development, pyrolysis oil and bio-LNG production are in the demonstration phase. Anaerobic digestion and biodiesel production are proven techniques. It is shown that this concept allows for synergies with regard to the utilization of residue flows from internal processes. Furthermore, it is demonstrated that by integrating different conversion technologies, an economically feasible concept can be developed in which technologies, currently residing in a demonstration phase, can also be brought to the market. (c) 2013 Society of Chemical Industry and John Wiley & Sons, Ltd
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000342662200015 Publication Date 2013-11-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-104x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.694 Times cited 18 Open Access
  Notes ; We would like to thank the editor and the anonymous referees for their helpful suggestions and insightful comments that have significantly improved the paper. The Energy Conversion Parks (ECP) project is funded by the Interreg IVa – Flanders-Netherlands program from the European Fund for Regional Development that stimulates cross-border projects. Also the Dutch Ministry of Economic Affairs, the Flemish Government, the Provinces of Noord-Brabant (NL), Zeeland (NL), Limburg (BE) and the partners (VITO, Avans University of Applied Sciences, Wageningen University and Research, Hasselt University, and Zeeland University of Applied Sciences) themselves are co-financing the project. We also would like to express our gratitude toward the organization of the 2nd Iberoamerican Congress on Biorefineries in Jaen (Spain) for giving us the opportunity to present and thereby fine-tune our work. ; Approved Most recent IF: 3.694; 2014 IF: 4.214
  Call Number UA @ admin @ c:irua:127541 Serial 6180
Permanent link to this record
 

 
Author Maes, D.; Van Passel, S.
  Title Advantages and limitations of exergy indicators to assess sustainability of bioenergy and biobased materials Type A1 Journal article
  Year 2014 Publication Environmental Impact Assessment Review Abbreviated Journal Environ Impact Asses
  Volume 45 Issue Pages 19-29
  Keywords (down) A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
  Abstract Innovative bioenergy projects show a growing diversity in biomass pathways, transformation technologies and end-products, leading to complex new processes. Existing energy-based indicators are not designed to include multiple impacts and are too constrained to assess the sustainability of these processes. Alternatively, indicators based on exergy, a measure of “qualitative energy”, could allow a more holistic view. Exergy is increasingly applied in analyses of both technical and biological processes. But sustainability assessments including exergy calculations, are not very common and are not generally applicable to all types of impact. Hence it is important to frame the use of exergy for inclusion in a sustainability assessment. This paper reviews the potentials and the limitations of exergy calculations, and presents solutions for coherent aggregation with other metrics. The resulting approach is illustrated in a case study. Within the context of sustainability assessment of bioenergy, exergy is a suitable metric for the impacts that require an ecocentric interpretation, and it allows aggregation on a physical basis. The use of exergy is limited to a measurement of material and energy exchanges with the sun, biosphere and lithosphere. Exchanges involving services or human choices are to be measured in different metrics. This combination provides a more inclusive and objective sustainability assessment, especially compared to standard energy- or carbon-based indicators. Future applications of this approach in different situations are required to clarify the potential of exergy-based indicators in a sustainability context. (C) 2013 Elsevier Inc. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000331924600003 Publication Date 2013-12-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0195-9255 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.094 Times cited 18 Open Access
  Notes ; ; Approved Most recent IF: 3.094; 2014 IF: 2.400
  Call Number UA @ admin @ c:irua:127545 Serial 6147
Permanent link to this record
 

 
Author Deng, S.; Verbruggen, S.W.; He, Z.; Cott, D.J.; Vereecken, P.M.; Martens, J.A.; Bals, S.; Lenaerts, S.; Detavernier, C.
  Title Atomic layer deposition-based synthesis of photoactive TiO2 nanoparticle chains by using carbon nanotubes as sacrificial templates Type A1 Journal article
  Year 2014 Publication RSC advances Abbreviated Journal Rsc Adv
  Volume 4 Issue 23 Pages 11648-11653
  Keywords (down) A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Highly ordered and self supported anatase TiO2 nanoparticle chains were fabricated by calcining conformally TiO2 coated multi-walled carbon nanotubes (MWCNTs). During annealing, the thin tubular TiO2 coating that was deposited onto the MWCNTs by atomic layer deposition (ALD) was transformed into chains of TiO2 nanoparticles ([similar]12 nm diameter) with an ultrahigh surface area (137 cm2 per cm2 of substrate), while at the same time the carbon from the MWCNTs was removed. Photocatalytic tests on the degradation of acetaldehyde proved that these forests of TiO2 nanoparticle chains are highly photoactive under UV light because of their well crystallized anatase phase.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000332470000017 Publication Date 2014-02-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2046-2069; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.108 Times cited 45 Open Access Not_Open_Access
  Notes ; The authors wish to thank the Research Foundation – Flanders (FWO) and UGENT-GOA-01G01513 for financial support. The authors acknowledge the European Research Council for funding under the European Union's Seventh Framework Programme (FP7/2007-2013)/ERC grant agreement no. 239865-COCOON and no. 246791-COUNTATOMS. JAM acknowledges the Flemish government for long-term structural funding (Methusalem). ; Approved Most recent IF: 3.108; 2014 IF: 3.840
  Call Number UA @ lucian @ c:irua:117298 Serial 168
Permanent link to this record
 

 
Author Verbruggen, S.W.; Keulemans, M.; Filippousi, M.; Flahaut, D.; Van Tendeloo, G.; Lacombe, S.; Martens, J.A.; Lenaerts, S.
  Title Plasmonic goldsilver alloy on TiO2 photocatalysts with tunable visible light activity Type A1 Journal article
  Year 2014 Publication Applied catalysis : B : environmental Abbreviated Journal Appl Catal B-Environ
  Volume 156 Issue Pages 116-121
  Keywords (down) A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Adaptation of the photoresponse of anatase TiO2 to match the solar spectrum is an important scientific challenge. Modification of TiO2 with noble metal nanoparticles displaying surface plasmon resonance effects is one of the promising approaches. Surface plasmon resonance typically depends on chemical composition, size, shape and spatial organization of the metal nanoparticles in contact with TiO2. AuxAg(1 − x) alloy nanoparticles display strong composition-dependent surface plasmon resonance in the visible light region of the spectrum. In this work, a general strategy is presented to prepare plasmonic TiO2-based photocatalysts with a visible light response that can be accurately tuned over a broad range of the spectrum. The application as self-cleaning material toward the degradation of stearic acid is demonstrated for a plasmonic TiO2 photocatalyst displaying visible light photoactivity at the intensity maximum of solar light around 490 nm.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000336013200014 Publication Date 2014-03-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0926-3373; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.446 Times cited 84 Open Access
  Notes Flanders(FWO); Methusalem Approved Most recent IF: 9.446; 2014 IF: 7.435
  Call Number UA @ lucian @ c:irua:115552 Serial 2646
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Author Kurttepeli, M.; Deng, S.; Verbruggen, S.W.; Guzzinati, G.; Cott, D.J.; Lenaerts, S.; Verbeeck, J.; Van Tendeloo, G.; Detavernier, C.; Bals, S.
  Title Synthesis and characterization of photoreactive TiO2carbon nanosheet composites Type A1 Journal article
  Year 2014 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 118 Issue 36 Pages 21031-21037
  Keywords (down) A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL)
  Abstract We report the atomic layer deposition of titanium dioxide on carbon nanosheet templates and investigate the effects of postdeposition annealing in a helium environment using different characterization techniques. The crystallization of the titanium dioxide coating upon annealing is observed using in situ X-ray diffraction. The (micro)structural characterization of the films is carried out by scanning electron microscopy and advanced transmission electron microscopy techniques. Our study shows that the annealing of the atomic layer deposition processed and carbon nanosheets templated titanium dioxide layers in helium environment resulting in the formation of a porous, nanocrystalline and photocatalytically active titanium dioxide-carbon nanosheet composite film. Such composites are suitable for photocatalysis and dye-sensitized solar cells applications.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000341619500034 Publication Date 2014-08-23
  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 9 Open Access OpenAccess
  Notes This research was funded by the Flemish research foundation FWO-Vlaanderen, by the European Research Council (Starting Grant No. 239865) and by the Special Research Fund BOF of Ghent University (GOA-01G01513). G.G, M.K., J.V., S.B., and G.V.T. acknowledge funding from the European Research Council under the seventh Framework Program (FP7), ERC Starting Grant No. 278510 VORTEX and No. 335078 COLOURATOMS. ECASJO;; ECASSara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 4.536; 2014 IF: 4.772
  Call Number UA @ lucian @ c:irua:119085 Serial 3416
Permanent link to this record
 

 
Author van Oers, C.J.; Kurttepeli, M.; Mertens, M.; Bals, S.; Meynen, V.; Cool, P.
  Title Zeolite \beta nanoparticles based bimodal structures : mechanism and tuning of the porosity and zeolitic properties Type A1 Journal article
  Year 2014 Publication Microporous and mesoporous materials: zeolites, clays, carbons and related materials Abbreviated Journal Micropor Mesopor Mat
  Volume 185 Issue Pages 204-212
  Keywords (down) A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
  Abstract Despite great efforts in the research area of zeolite nanoparticles and their use in the synthesis of bimodal materials, still little is known about the impact of the synthesis conditions of the zeolite nanoparticles on its own characteristics, and on the properties and the formation mechanism of the final bimodal materials. A zeolite β nanoparticles solution is applied in a mesotemplate-free synthesis method, and the influence of the hydrothermal ageing temperature of the nanoparticles solution on both the zeolitic and porosity characteristics of the final bimodal material has been studied. Transmission electron microscopy in combination with 3-dimensional reconstructions obtained by electron tomography revealed that the zeolite β nanoparticles are connected by neck-like structures, thus creating a wormhole-like mesoporous material. Considering the zeolitic properties, a clear threshold is observed in the synthesis temperature series at 413 K. Below and at this threshold, the biporous materials show no apparent zeolitic characteristics, although these materials exhibit a more condensed and uniform SiOSi network in comparison to Al-MCF. Synthesis temperatures above the threshold lead to bimodal structures with defined zeolitic properties. Moreover, the dimensions of the nanoparticles are studied by TEM, revealing an increasing particle size with increasing temperature under the threshold of 413 K, which is in agreement with a sol-mechanism. This mechanism is disturbed after the threshold due to the start of the crystallisation process.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000330930400025 Publication Date 2013-11-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1387-1811; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.615 Times cited 10 Open Access OpenAccess
  Notes 262348 Esmi Approved Most recent IF: 3.615; 2014 IF: 3.453
  Call Number UA @ lucian @ c:irua:112501 Serial 3930
Permanent link to this record
 

 
Author Galván-Moya, J.E.; Altantzis, T.; Nelissen, K.; Peeters, F.M.; Grzelczak, M.; Liz-Marán, L.M.; Bals, S.; Van Tendeloo, G.
  Title Self-organization of highly symmetric nanoassemblies : a matter of competition Type A1 Journal article
  Year 2014 Publication ACS nano Abbreviated Journal Acs Nano
  Volume 8 Issue 4 Pages 3869-3875
  Keywords (down) A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
  Abstract The properties and applications of metallic nanoparticles are inseparably connected not only to their detailed morphology and composition but also to their structural configuration and mutual interactions. As a result, the assemblies often have superior properties as compared to individual nanoparticles. Although it has been reported that nanoparticles can form highly symmetric clusters, if the configuration can be predicted as a function of the synthesis parameters, more targeted and accurate synthesis will be possible. We present here a theoretical model that accurately predicts the structure and configuration of self-assembled gold nanoclusters. The validity of the model is verified using quantitative experimental data extracted from electron tomography 3D reconstructions of different assemblies. The present theoretical model is generic and can in principle be used for different types of nanoparticles, providing a very wide window of potential applications.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000334990600084 Publication Date 2014-03-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1936-0851;1936-086X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 13.942 Times cited 34 Open Access OpenAccess
  Notes FWO; Methusalem; 246791 COUNTATOMS; 335078 COLOURATOM; 262348 ESMI; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 13.942; 2014 IF: 12.881
  Call Number UA @ lucian @ c:irua:116955 Serial 2977
Permanent link to this record
 

 
Author Mueller, K.; Krause, F.F.; Béché, A.; Schowalter, M.; Galioit, V.; Loeffler, S.; Verbeeck, J.; Zweck, J.; Schattschneider, P.; Rosenauer, A.
  Title Atomic electric fields revealed by a quantum mechanical approach to electron picodiffraction Type A1 Journal article
  Year 2014 Publication Nature communications Abbreviated Journal Nat Commun
  Volume 5 Issue Pages 5653
  Keywords (down) A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract By focusing electrons on probes with a diameter of 50 pm, aberration-corrected scanning transmission electron microscopy (STEM) is currently crossing the border to probing subatomic details. A major challenge is the measurement of atomic electric fields using differential phase contrast (DPC) microscopy, traditionally exploiting the concept of a field- induced shift of diffraction patterns. Here we present a simplified quantum theoretical interpretation of DPC. This enables us to calculate the momentum transferred to the STEM probe from diffracted intensities recorded on a pixel array instead of conventional segmented bright- field detectors. The methodical development yielding atomic electric field, charge and electron density is performed using simulations for binary GaN as an ideal model system. We then present a detailed experimental study of SrTiO3 yielding atomic electric fields, validated by comprehensive simulations. With this interpretation and upgraded instrumentation, STEM is capable of quantifying atomic electric fields and high-contrast imaging of light atoms.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000347227700003 Publication Date 2014-12-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2041-1723; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 12.124 Times cited 197 Open Access
  Notes 246791 COUNTATOMS; 278510 VORTEX; Hercules; 312483 ESTEEM2; esteem2ta; ECASJO; Approved Most recent IF: 12.124; 2014 IF: 11.470
  Call Number UA @ lucian @ c:irua:122835UA @ admin @ c:irua:122835 Serial 166
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