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Author Ma, Z.; Perreault, P.; Pelegrin, D.C.; Boffito, D.C.; Patience, G.S. pdf  doi
openurl 
  Title Thermodynamically unconstrained forced concentration cycling of methane catalytic partial oxidation over CeO2FeCralloy catalysts Type A1 Journal article
  Year 2020 Publication Chemical Engineering Journal Abbreviated Journal Chem Eng J  
  Volume 380 Issue Pages 122470-11  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Converting waste associated natural gas from oil fields is uneconomic with current gas-to-liquid technology. Micro Gas-to-Liquids technology ( GtL) combines process intensification and numbering up economics to reduce capital costs to convert flared and vented natural gas to value-added synthetic fuel: Milli-second contact times in the catalytic partial oxidation of methane (CPOX) integrated with a tandem Fischer-Tropsch (FT) step meets the economic constraints together with remote process control. FeCralloy knitted fibres with high thermal conductivity and low pressure drop, resist thermal and mechanical stresses in the high pressure CPOX step. The FeCralloy catalysts are free of pre-reduction treatments. We deposited Pt and/or CeO2 over the fibre surface via solution combustion synthesis. Methane conversion was higher at ambient pressure compared to 2 MPa while the Pt/CeO2 FeCralloy was relatively inert from 0.1 MPa to 2 MPa. However, both catalysts demonstrated high activity in quasi-chemical looping partial oxidation of methane: during the reduction step while feeding methane, an on-line mass spectrometer only detected H2 while in the oxidation step it detected predominantly CO. Kinetic modeling of the oxidation-reduction cycles suggests that the reaction follows a direct mechanism to produce CO and H2 rather than an indirect mechanism that first produces CO2 and H2O followed by reforming.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2019-08-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1385-8947; 1873-3212 ISBN Additional Links UA library record  
  Impact Factor 15.1 Times cited Open Access  
  Notes Approved Most recent IF: 15.1; 2020 IF: 6.216  
  Call Number UA @ admin @ c:irua:162119 Serial 8665  
Permanent link to this record
 

 
Author Spooren, J.; Kim, E.; Horckmans, L.; Broos, K.; Nielsen, P.; Quaghebeur, M. pdf  doi
openurl 
  Title In-situ chromium and vanadium recovery of landfilled ferrochromium and stainless steel slags Type A1 Journal article
  Year 2016 Publication Chemical engineering journal Abbreviated Journal  
  Volume 303 Issue Pages 359-368  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract A novel heap leaching method was investigated for selective removal of chromium (Cr) and-vanadium (V) from ferrochromium (FeCr) and stainless steel (SS) slags. In particular, alkaline oxidative heap leaching was simulated on lab-scale by batch and column leaching tests. The results show a selective leaching of Cr (11-19%) and V (7.0-7.5%) after 64 days of column leaching, with a very low dissolution (<2.2% (FeCr slag) and <0.15% (SS slag)) of matrix elements (e.g. Al, Fe, Si, Mg, Ca), when NaOCl is applied as oxidation agent and NaOH as alkaline agent. Furthermore, the used leaching liquor is reactive for a longer period of time, indicating that circulation of leaching liquor could be possible. Finally, the experimental results were fed into a first-order model which predicts that Cr will continue to leach from the tested slags for 4-5 years at a chosen infiltration rate of 73,000 l/(y m(2)). (C) 2016 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000383522800036 Publication Date 2016-05-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1385-8947; 1873-3212 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:137104 Serial 8074  
Permanent link to this record
 

 
Author Kim, E.; Spooren, J.; Broos, K.; Nielsen, P.; Horckmans, L.; Vrancken, K.C.; Quaghebeur, M. pdf  doi
openurl 
  Title New method for selective Cr recovery from stainless steel slag by NaOCl assisted alkaline leaching and consecutive BaCrO4 precipitation Type A1 Journal article
  Year 2016 Publication Chemical engineering journal Abbreviated Journal  
  Volume 295 Issue Pages 542-551  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract A new hydrometallurgical method was investigated for selective leaching of chromium from stainless steel slag (SS slag) consisting of temperature controlled extraction with NaOH in the presence of NaOCl, followed by water leaching. After parameter optimization of the NaOCl-NaOH extraction step, a selective Cr leaching of 68% was reached, while dissolution of matrix materials was low (Al 0.3%, Ca 2.0%, Si 0.4%). The optimum conditions for the investigated system are: 105 degrees C, 6 h, SS slag particle size <63 mu m, mass ratio of NaOH to SS slag 0.13, and 3.3 mmol NaOCl to 1 g SS slag. The described oxidative alkaline leaching process by hypochlorite enables selective recovery of Cr at a significantly lower temperature and required amount of alkaline agent than molten salt or alkaline roasting processes. BaCrO4 was precipitated to purify and concentrate Cr from the leachate in which also minor amounts of Mn and V were present. This method allowed for a 99.9% Cr recovery rate. The obtained leaching residue shows no alterations of the SS slag's mineralogy with respect to untreated material. Therefore, a known carbonation treatment of the slag can be applied to prepare novel construction materials with a lowered Cr content. (C) 2016 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000375507300059 Publication Date 2016-03-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1385-8947; 1873-3212 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:133632 Serial 8302  
Permanent link to this record
 

 
Author Smits, M.; Chan, C. kit; Tytgat, T.; Craeye, B.; Costarramone, N.; Lacombe, S.; Lenaerts, S. pdf  doi
openurl 
  Title Photocatalytic degradation of soot deposition : self-cleaning effect on titanium dioxide coated cementitious materials Type A1 Journal article
  Year 2013 Publication Chemical engineering journal Abbreviated Journal Chem Eng J  
  Volume 222 Issue Pages 411-418  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Diesel soot emissions deteriorate the appearance of architectural building materials by soot fouling. This soot deposition devalue the aesthetic value of the building. A solution to counteract this problem is applying titanium dioxide on building materials. TiO2 can provide air-purifying and self-cleaning properties due to its photocatalytic activity. In literature, photocatalytic soot oxidation is observed on glass or silicon substrates. However, degradation of soot by photocatalysis was not yet investigated on cementitious samples (mortar, concrete) although it is one of the most frequently used building materials. In this study, photocatalytic soot oxidation by means of TiO2 coated cementitious samples is addressed. The soot removal capacity of four types of TiO2 layers, coated on mortar samples, is evaluated by means of two detection methods. The first method is based on colorimetric measurements, while the second method uses digital image processing to calculate the area of soot coverage. The experimental data revealed that cementitious materials coated with commercially available TiO2 exhibited self-cleaning properties as it was found that all coated samples were able to remove soot. The P25 coating gave the best soot degradation performance, while the Eoxolit product showed the slowest soot degradation rate. In addition, gas chromatography measurements in a closed chamber experiment with P25 confirmed that complete mineralization of about 60% of the soot was obtained within 24 hours since CO2 was the sole observed oxidation product. Due to its realistic approach, this study proves that photocatalytic soot removal on TiO2 coated cementitious surfaces is possible in practice, which is an important step towards the practical application of self-cleaning building materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000319528900046 Publication Date 2013-03-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1385-8947; 1873-3212 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.216 Times cited 43 Open Access  
  Notes ; This work was supported by a PhD grant (M. Smits) from the University of Antwerp, a PhD grant (T. Tytgat) funded by the Institute of Innovation by Science and Technology in Flanders (IWT) and the exchange program Tournesol (Project T2012.05) financed by the Flemish government. ; Approved Most recent IF: 6.216; 2013 IF: 4.058  
  Call Number UA @ admin @ c:irua:106519 Serial 5979  
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Author Tytgat, T.; Hauchecorne, B.; Abakumov, A.M.; Smits, M.; Verbruggen, S.W.; Lenaerts, S. pdf  doi
openurl 
  Title Photocatalytic process optimisation for ethylene oxidation Type A1 Journal article
  Year 2012 Publication Chemical engineering journal Abbreviated Journal Chem Eng J  
  Volume 209 Issue Pages 494-500  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract When studying photocatalysis it is important to consider, beside the chemical approach, the engineering part related to process optimisation. To achieve this a fixed bed photocatalytic set-up consisting of different catalyst placings, in order to vary catalyst distribution, is studied. The use of a fixed quantity of catalyst placed packed or randomly distributed in the reactor, results in an almost double degradation for the distributed catalyst. Applying this knowledge leads to an improved performance with limited use of catalyst. A reactor only half filled with catalyst leads to higher degradation performance compared to a completely filled reactor. Taking into account this simple process optimisation by better distributing the catalyst a more sustainable photocatalytic air purification process is achieved. (C) 2012 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lausanne Editor  
  Language Wos 000311190500058 Publication Date 2012-08-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1385-8947; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.216 Times cited 12 Open Access  
  Notes ; We are grateful for the delivered photocatalyst by Evonik as well as for the PhD grant (T. Tytgat) given by the Institute of Innovation by Science and Technology in Flanders (IWT). ; Approved Most recent IF: 6.216; 2012 IF: 3.473  
  Call Number UA @ lucian @ c:irua:105185 Serial 2609  
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Author Smeulders, G.; van Oers, C.; Van Havenbergh, K.; Houthoofd, K.; Mertens, M.; Martens, J.A.; Bals, S.; Maes, B.U.W.; Meynen, V.; Cool, P. pdf  doi
openurl 
  Title Smart heating profiles for the synthesis of benzene bridged periodic mesoporous organosilicas Type A1 Journal article
  Year 2011 Publication Chemical engineering journal Abbreviated Journal Chem Eng J  
  Volume 175 Issue Pages 585-591  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Organic synthesis (ORSY)  
  Abstract In this study the effects of the heating rate and heating time on the formation of crystal-like benzene bridged periodic mesoporous organosilicas (PMOs) are investigated. The time needed to heat up an autoclave during the hydrothermal treatment has shown to be crucial in the synthesis of PMOs, while the total duration of heating gave rise to only minor differences. By choosing a smart heating profile, superior PMO materials can be obtained in a short time. Different heating profiles in a range from one minute to one hour are adopted by microwave equipment and compared with conventional heating methods. The heating rate has a large influence on the porosity characteristics and the uniformity of the obtained particles. Moreover, two new alternative synthetic strategies to adopt the smart heating profile are presented, in order to give some possible solutions for the expensive microwave equipment.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lausanne Editor  
  Language Wos 000297875900069 Publication Date 2011-10-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1385-8947; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.216 Times cited 7 Open Access  
  Notes Fwo; Goa-Bof Approved Most recent IF: 6.216; 2011 IF: 3.461  
  Call Number UA @ lucian @ c:irua:93630 Serial 3044  
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Author Verbruggen, S.W.; Ribbens, S.; Tytgat, T.; Hauchecorne, B.; Smits, M.; Meynen, V.; Cool, P.; Martens, J.A.; Lenaerts, S. pdf  doi
openurl 
  Title The benefit of glass bead supports for efficient gas phase photocatalysis : case study of a commercial and a synthesised photocatalyst Type A1 Journal article
  Year 2011 Publication Chemical engineering journal Abbreviated Journal Chem Eng J  
  Volume 174 Issue 1 Pages 318-325  
  Keywords A1 Journal article; Engineering sciences. Technology; Laboratory of adsorption and catalysis (LADCA); Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract In the field of photocatalytic air purification, the immobilisation of catalyst particles on support surfaces without loss of photon efficiency is an important challenge. Therefore, an immobilisation method involving a one-step suspension coating of pre-synthesised photocatalysts on glass beads was applied. The various benefits are exemplified in the gas phase photodegradation of ethylene. Coating of glass beads is easy, fast, cheap and offers a more efficient alternative to bulk catalyst pellets. Furthermore, this coating procedure allows to use porous, pre-synthesised catalysts to their full potential, as the surface area and morphology of the initial powder is barely altered after coating, in strong contrast to pelletising. With this technique it became possible to study the gas phase photocatalytic activity of commercial titanium dioxide, trititanate nanotubes and mixed phase anatase/trititanate nanotubes in a packed bed reactor towards the degradation of ethylene without changing the catalyst properties. Coating of glass beads with the photocatalyst revealed the superior activity of the as-prepared nanotubes, compared to TiO2 Aerolyst® 7710 in gaseous phase.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000296950300041 Publication Date 2011-09-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1385-8947; 1873-3212 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.216 Times cited 39 Open Access  
  Notes ; The author wishes to acknowledge the Research Foundation of Flanders (FWO) for the financial support. Evonik is greatly thanked for supplying the TiO<INF>2</ INF> Aerolyst (R) 7710 pellets. ; Approved Most recent IF: 6.216; 2011 IF: 3.461  
  Call Number UA @ admin @ c:irua:93364 Serial 5929  
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Author Benito, P.; Monti, M.; de Nolf, W.; Nuyts, G.; Janssens, K.; et al. pdf  doi
openurl 
  Title Improvement in the coating homogeneity in electrosynthesized Rh structured catalysts for the partial oxidation of methane Type A1 Journal article
  Year 2015 Publication Catalysis today Abbreviated Journal Catal Today  
  Volume 246 Issue Pages 154-164  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The precipitation of Rh/Mg/Al and Rh/Al hydroxides on the surface of FeCrAlloy foams by a base electrogeneration method was investigated to improve the properties of the deposited film (homogeneity and composition) and therefore the performances of the structured catalysts, obtained by calcination, in the Catalytic Partial Oxidation of CH4 to syngas. The work focussed on decreasing current gradients within open-cell foam cylinders by increasing the number of electrical contacts from 1 to 3 points to promote a more homogeneous precipitation of the hydroxides. Electrochemical and catalytic tests as well as SEM/EDS and mu-XRFIXRD analyses allowed to correlate the effect of the number of electrical contact points with materials properties. Lastly, syntheses were performed on Pt plates to study the effect of the electrical behaviour and shape of the support on the composition of the film. A more homogeneous coating of the foam surface was achieved by adopting a configuration with 3 contact points since the reduction of nitrates and water molecules that generates the basic media in the vicinity of the support was enhanced. Layer thicknesses up to 5-15 mu m were deposited; however, the sequential precipitation of a film with composition closer to the expected one and a layer enriched in Al and Rh (outer layer) was not avoided. The improvement in the coating gave rise to enhanced performances for a sample prepared at -1.1 V for 3000 s. Contrarily, the low adherence of the outer layer in a sample prepared at -1.2 V for 2000 s during both calcination and catalytic tests may be responsible of the unexpected decrease in catalytic performances. The same sequential precipitation was observed by performing the syntheses on Pt plates, showing that the electrical nature the support did not play a key role on this phenomenon. (C) 2014 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000349998300020 Publication Date 2014-10-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0920-5861 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.636 Times cited 14 Open Access  
  Notes ; The financial support from the Ministero per l'Istruzione, l'Universita e la Ricerca (MIUR, Roma, I) is gratefully acknowledged. The authors thank D. Grolimund and C.N. Borca for assisting the mu XRF/XRD conducted experiments at MicroXAS Beamline of SLS Thanks are due to Porvair for supplying FeCrAlloy foams. ; Approved Most recent IF: 4.636; 2015 IF: 3.893  
  Call Number UA @ admin @ c:irua:124616 Serial 5656  
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Author Smits, M.; Huygh, D.; Craeye, B.; Lenaerts, S. pdf  doi
openurl 
  Title Effect of process parameters on the photocatalytic soot degradation on self-cleaning cementitious materials Type A1 Journal article
  Year 2014 Publication Catalysis today Abbreviated Journal Catal Today  
  Volume 230 Issue Pages 250-255  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL); Energy and Materials in Infrastructure and Buildings (EMIB)  
  Abstract Soot deposition has the negative ability to devalue the aesthetic appearance of buildings. Titanium dioxide applied on the building material is one way to counteract this problem as it provides air-purifying and self-cleaning properties due to its photocatalytic activity. In literature, photocatalytic soot oxidation was described, but until now, little information was available about the influence of process parameters on the photocatalytic degradation efficiency. The influence of three process parameters was tested in this study, namely TiO2 concentration, soot concentration and water-to-cement ratio (WIC-ratio) of the mortar substrates. The results revealed 50 mu gTiO(2) cm(-2) is better to use on the cementitious materials than 250 mu gTiO(2) cm(-2). The soot concentrations occurring in real-world situations will not inhibit the photocatalyst to be activated by light. Furthermore, the photonic efficiency increases slightly for lower WIC-ratios. This can be of interest for structural building applications, since a lower WIC-ratio results in a lower porosity of the samples and consequently in an increase in mortar strength. (C) 2013 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000333800300039 Publication Date 2013-10-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0920-5861 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.636 Times cited 14 Open Access  
  Notes ; This work was supported by a PhD grant (M. Smits) from the University of Antwerp. We would like to thank T. Tytgat for the scientific discussion and Evonik for delivering the materials used in the experiments. ; Approved Most recent IF: 4.636; 2014 IF: 3.893  
  Call Number UA @ admin @ c:irua:117142 Serial 5946  
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Author Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Huygh, S.; Bal, K.M.; Neyts, E.C. pdf  doi
openurl 
  Title Temperature influence on the reactivity of plasma species on a nickel catalyst surface : an atomic scale study Type A1 Journal article
  Year 2013 Publication Catalysis today Abbreviated Journal Catal Today  
  Volume 211 Issue Pages 131-136  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In recent years, the potential use of hydrogen as a clean energy source has gained considerable attention. Especially H2 formation by Ni-catalyzed reforming of methane at elevated temperatures is an attractive process. However, a more fundamental knowledge at the atomic level is needed for a full comprehension of the reactions at the catalyst surface. In this contribution, we therefore investigate the H2 formation after CHx impacts on a Ni(1 1 1) surface in the temperature range 4001600 K, by means of reactive molecular dynamics (MD) simulations using the ReaxFF potential. While some H2 formation is already observed at the lower temperatures, substantial H2 formation is only obtained at elevated temperatures of 1400 K and above. At 1600 K, the H2 molecules are even the most frequently formed species. In direct correlation with the increasing dehydrogenation at elevated temperatures, an increased surface-to-subsurface C-diffusivity is observed as well. This study highlights the major importance of the temperature on the H2 formation.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000320697800020 Publication Date 2013-03-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0920-5861; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.636 Times cited 27 Open Access  
  Notes Approved Most recent IF: 4.636; 2013 IF: 3.309  
  Call Number UA @ lucian @ c:irua:108675 Serial 3500  
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Author Verbruggen, S.W.; Dirckx, J.J.J.; Martens, J.A.; Lenaerts, S. pdf  doi
openurl 
  Title Surface photovoltage measurements : a quick assessment of the photocatalytic activity? Type A1 Journal article
  Year 2013 Publication Catalysis today Abbreviated Journal Catal Today  
  Volume 209 Issue Pages 215-220  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Surface photovoltage (SPV) measurements can contribute to a better understanding of electronic properties of photocatalysts under illumination. Direct linking of SPV data to the actual photocatalytic activity remains troublesome. This work aims to discuss SPV measurements from a photocatalytic point of view. By means of several application-based scenarios we illustrate that the trend between SPV and photocatalysis strongly depends on parameters such as the crystal structure, surface modifications, morphology and humidity. This makes the interpretation far from straightforward.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000319498800035 Publication Date 2013-01-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0920-5861 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.636 Times cited 8 Open Access  
  Notes ; ; Approved Most recent IF: 4.636; 2013 IF: 3.309  
  Call Number UA @ admin @ c:irua:106520 Serial 5995  
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Author Van Noyen, J.; Middelkoop, V.; Buysse, C.; Kovalevsky, A.; Snijkers, F.; Buekenhoudt, A.; Mullens, S.; Luyten, J.; Kretzschmar, J.; Lenaerts, S. pdf  doi
openurl 
  Title Fabrication of perovskite capillary membranes for high temperature gas separation Type A1 Journal article
  Year 2012 Publication Catalysis today Abbreviated Journal Catal Today  
  Volume 193 Issue 1 Pages 172-178  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Oxygen-permeable perovskites with mixed ionic-electronic conducting properties can play an important role in carbon capture and storage techniques. Their ability to separate oxygen from air is needed, more specifically, in oxy-fuel and pre-combustion technologies. In this work, the first detailed comparative analysis and new results are reported on four types of Ba0.5Sr0.5Co0.8Fe0.2O3-delta (BSCF) capillary membranes: non-coated sulphur-containing; catalyst-coated sulphur-containing; non-coated sulphur-free and catalyst-coated sulphur-free. The fabrication of BSCF capillaries by a spinning technique based on phase inversion is further discussed and their oxygen separation performances are interpreted. The comparison of the performance of these different generations of BSCF capillaries of similar dimensions demonstrates a significant impact of the sulphur contamination on both the oxygen flux through the membrane and the activation energy of the overall oxygen transport mechanism. Careful attention is paid to the effect of activation layers on both sulphur-free and sulphur-containing types of capillaries. Additional long-term testing of the sulphur-free BSCF capillaries is presented, where partial decomposition of the membrane surface was observed due to kinetic demixing. (c) 2012 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000308675900025 Publication Date 2012-04-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0920-5861 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.636 Times cited 9 Open Access  
  Notes ; The authors want to express their thanks to the VITO personnel for their continuous support, especially B. Molenberghs, W. Doyen (Separation and Conversion Technology, VITO), R. Kemps, M. Mertens, I. Thijs, M. Schoeters, W. Bouwen and J. Cooymans (Materials Department, VITO). C. Buysse thankfully acknowledges a Ph.D. scholarship provided by VITO and the University of Antwerp. This work is performed in the framework of the German Helmholtz Alliance Project “MEM-BRAIN”, aiming at the development of gas separation membranes for zero-emission fossil fuel power plants. ; Approved Most recent IF: 4.636; 2012 IF: 2.980  
  Call Number UA @ admin @ c:irua:101797 Serial 5951  
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Author Martens, J.A.; Thybaut, J.W.; Denayer, J.F.M.; Sree, S.P.; Aerts, A.; Reyniers, M.-F.; van Speybroeck, V.; Waroquier, M.; Buekenhoudt, A.; Vankelecom, I.; Buijs, W.; Persoons, J.; Baron, G.V.; Bals, S.; Van Tendeloo, G.; Marin, G.B.; Jacobs, P.A.; Kirschhock, C.E.A. pdf  doi
openurl 
  Title Catalytic and molecular separation properties of Zeogrids and Zeotiles Type A1 Journal article
  Year 2011 Publication Catalysis today Abbreviated Journal Catal Today  
  Volume 168 Issue 1 Pages 17-27  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Zeogrids and Zeotiles are hierarchical materials built from assembled MFI zeolite precursor units. Permanent secondary porosity in these materials is obtained through self assembly of nanoparticles encountered in MFI zeolite synthesis in the presence of supramolecular templates. Hereon, the aggregated species are termed nanoslabs. Zeogrids are layered materials with lateral spacings between nanoslabs creating galleries qualifying as supermicropores. Zeotiles present a diversity of tridimensional nanoslab assemblies with mesopores. Zeotile-1, -4 and -6 are hexagonal mesostructures. Zeotile-1 has triangular and hexagonal channels; Zeotile-4 has hexagonal channels interconnected via slits. Zeotile-2 has a cubic structure with gyroid type mesoporosity. The behavior of Zeogrids and Zeotiles in adsorption, membrane and chromatographic separation and catalysis has been characterized and compared with zeolites and mesoporous materials derived from unstructured silica sources. Shape selectivity was detected via adsorption of n- and iso-alkanes. The mesoporosity of Zeotiles can be exploited in chromatographic separation of biomolecules. Zeotiles present attractive separation properties relevant to CO2 sequestration. Because of its facile synthesis procedure without hydrothermal steps Zeogrid is convenient for membrane synthesis. The performance of Zeogrid membrane in gas separation, nanofiltration and pervaporation is reported. In the Beckmann rearrangement of cyclohexanone oxime Zeogrids and Zeotiles display a catalytic activity characteristic of silicalite-1 zeolites. Introduction of acidity and redox catalytic activity can be achieved via incorporation of Al and Ti atoms in the nanoslabs during synthesis. Zeogrids are active in hydrocracking, catalytic cracking, alkylation and epoxidation reactions. Zeogrids and Zeotiles often behave differently from ordered mesoporous materials as well as from zeolites and present a valuable extension of the family of hierarchical silicate based materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000291033300003 Publication Date 2011-03-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0920-5861; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.636 Times cited 13 Open Access  
  Notes Fwo; Iap Sbo Approved Most recent IF: 4.636; 2011 IF: 3.407  
  Call Number UA @ lucian @ c:irua:88647 Serial 290  
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Author Peng, L.; Philippaerts, A.; Ke, X.; van Noyen, J.; de Cleppel, F.; Van Tendeloo, G.; Jacobs, P.A.; Sels, B.F. doi  openurl
  Title Preparation of sulfonated ordered mesoporous carbon and its use for the esterification of fatty acids Type A1 Journal article
  Year 2010 Publication Catalysis today Abbreviated Journal Catal Today  
  Volume 150 Issue 1/2 Pages 140-146  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Mesoporous carbon, which can be replicated from mesoporous silica and whose surface is hydrophobic, can be an ideal catalyst for the esterification of fatty acids. Here we report an easy and low cost way to prepare sulfonic acid group-functionalized mesoporous carbon. A sample of calcined mesoporous silica SBA-15 was added to an aqueous sucrose solution followed by drying and calcination at different temperatures. In contrast to existing procedures, the obtained hybrid Si/C material was then first sulfonated in H2SO4, before the final removal of the silica template in order to stabilize the porous structure towards the liquid phase sulfonation treatment. Thus the silicacarbon composites, instead of the mesoporous carbon, were successfully sulfonated to introduce SO3H groups, while keeping the ordered mesoporous structure intact. The influence of carbonization temperature was investigated, suggesting an optimum temperature of 873 K. The SO3H group-functionalized mesoporous carbon, denoted as CMK-3-873-SO3H, was characterized by means of XRD, N2 physisorption, SEM, FT-IR, elemental analysis and TEM. It followed that a uniform mesoporous carbon was obtained with an average pore size of 3.89 nm, a specific surface of 807 m2/g and a SO3H group loading of 0.39 meq/g of dry material. Compared with other solid acid catalysts, the resulting material shows enhanced activity in the acid-catalyzed esterification of oleic acid with methanol, and can be used repeatedly. The increased catalytic performance is attributed to the hydrophobic surface and larger pore size of the new catalyst. It can effectively accommodate long chain fatty acids and reject formed water, making the active sites easily accessible.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000275566700024 Publication Date 2009-09-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0920-5861; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.636 Times cited 132 Open Access  
  Notes Approved Most recent IF: 4.636; 2010 IF: 2.993  
  Call Number UA @ lucian @ c:irua:81739 Serial 2706  
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Author Paul, J.S.; Groothaert, M.H.; Kirschhock, C.E.A.; Lebedev, O.I.; Jacobs, P.A.; Maier, W.F. pdf  doi
openurl 
  Title Novel MoVSbOx-type catalysts for selective isobutane oxidation Type A1 Journal article
  Year 2004 Publication Catalysis today T2 – 7th European Workshop Meeting on Selective Oxidation, AUG 31-SEP 04, 2003, Innsbruck, AUSTRIA Abbreviated Journal Catal Today  
  Volume 91-2 Issue Pages 265-269  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A new sol-gel synthesis procedure is proposed for the preparation of MoVSbOx catalysts for the selective oxidation of isobutane. Physico-chemical characterization of the materials calcined at 400 degreesC, showed essentially amorphous catalysts, with long-range order. Increase of calcination temperature, however, resulted in the formation of small crystalline regions, confirmed through TEM. EPR measurements on the calcined samples pointed to the presence of isolated and magnetically interacting V(IV) species. The reported catalysts proved to be much more selective for partial oxidation compared to a literature reference catalyst. Furthermore, it is shown that this versatile synthesis recipe forms an excellent start for high-throughput and combinatorial studies. (C) 2004 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000222691000049 Publication Date 2004-05-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0920-5861; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.636 Times cited 12 Open Access  
  Notes Approved Most recent IF: 4.636; 2004 IF: 3.108  
  Call Number UA @ lucian @ c:irua:102761 Serial 2383  
Permanent link to this record
 

 
Author Komulainen, S.; Verlackt, C.; Pursiainen, J.; Lajunen, M. pdf  doi
openurl 
  Title Oxidation and degradation of native wheat starch by acidic bromate in water at room temperature Type A1 Journal article
  Year 2013 Publication Carbohydrate Polymers Abbreviated Journal Carbohyd Polym  
  Volume 93 Issue 1 Pages 73-80  
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);  
  Abstract Native wheat starch was oxidized by benign acidic bromate in water at room temperature. HPLC-ELSD study indicated that starch degraded in the course of oxidation but it still had a polymeric structure characterized by H-1, C-13, HSQC and HMBC NMR measurements. Products were generally water-soluble fragments but the use of a short reaction time and dilute reaction mixture yielded water-insoluble products. Titration of the products showed, that the increase of the starch content and reaction time increased the content of carbonyl and carboxyl groups in the range of 0.5-2.5% and 1.7-17.2%, respectively, in the product fragments. A mechanism for the oxidation reaction was proposed. (C) 2012 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000316512900011 Publication Date 2012-06-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0144-8617; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.811 Times cited 32 Open Access  
  Notes Approved Most recent IF: 4.811; 2013 IF: 3.916  
  Call Number UA @ lucian @ c:irua:108288 Serial 2537  
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Author Marazzi, E.; Ghojavand, A.; Pirard, J.; Petretto, G.; Charlier, J.-C.; Rignanese, G.-M. pdf  doi
openurl 
  Title Modeling symmetric and defect-free carbon schwarzites into various zeolite templates Type A1 Journal article
  Year 2023 Publication Carbon Abbreviated Journal  
  Volume 215 Issue Pages 118385-118389  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Recently, a process has been proposed for generating negatively-curved carbon schwarzites via zeolite-templating (Braun et al., 2018). However, the proposed process leads to atomistic models which are not very symmetric and often rather defective. In the present work, an improved generation approach is developed, by imposing symmetry constraints, which systematically leads to defect-free, hence more stable, schwarzites. The stability of the newly predicted symmetric schwarzites is also compared to that of other carbon nanostructures (in particular carbon nanotubes – CNTs), which could also be accommodated within the same templates. Our results suggest that only a few of these (such as FAU, SBT and SBS) can fit schwarzites more stable than CNTs. Our predictions could help experimentalists in the crucial choice of the template for the challenging synthesis of schwarzites. Furthermore, being highly symmetric and stable phases, the models could also be synthesized by means of other experimental procedures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001078649800001 Publication Date 2023-09-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0008-6223 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 10.9 Times cited Open Access  
  Notes Approved Most recent IF: 10.9; 2023 IF: 6.337  
  Call Number UA @ admin @ c:irua:200314 Serial 9057  
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Author Mirzakhani, M.; Myoung, N.; Peeters, F.M.; Park, H.C. pdf  doi
openurl 
  Title Electronic Mach-Zehnder interference in a bipolar hybrid monolayer-bilayer graphene junction Type A1 Journal article
  Year 2023 Publication Carbon Abbreviated Journal  
  Volume 201 Issue Pages 734-744  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Graphene matter in a strong magnetic field, realizing one-dimensional quantum Hall channels, provides a unique platform for studying electron interference. Here, using the Landauer-Buttiker formalism along with the tightbinding model, we investigate the quantum Hall (QH) effects in unipolar and bipolar monolayer-bilayer graphene (MLG-BLG) junctions. We find that a Hall bar made of an armchair MLG-BLG junction in the bipolar regime results in valley-polarized edgechannel interferences and can operate a fully tunable Mach-Zehnder (MZ) interferometer device. Investigation of the bar-width and magnetic-field dependence of the conductance oscillations shows that the MZ interference in such structures can be drastically affected by the type of (zigzag) edge termination of the second layer in the BLG region [composed of vertical dimer or non-dimer atoms]. Our findings reveal that both interfaces exhibit a double set of Aharonov-Bohm interferences, with the one between two oppositely valley-polarized edge channels dominating and causing a large amplitude conductance oscillation ranging from 0 to 2e2/h. We explain and analyze our findings by analytically solving the Dirac-Weyl equation for a gated semi-infinite MLG-BLG junction.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000868911500004 Publication Date 2022-09-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0008-6223 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 10.9 Times cited 3 Open Access Not_Open_Access  
  Notes Approved Most recent IF: 10.9; 2023 IF: 6.337  
  Call Number UA @ admin @ c:irua:191516 Serial 7302  
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Author Dehdast, M.; Valiollahi, Z.; Neek-Amal, M.; Van Duppen, B.; Peeters, F.M.; Pourfath, M. pdf  doi
openurl 
  Title Tunable natural terahertz and mid-infrared hyperbolic plasmons in carbon phosphide Type A1 Journal article
  Year 2021 Publication Carbon Abbreviated Journal Carbon  
  Volume 178 Issue Pages 625-631  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Hyperbolic polaritons in ultra thin materials such as few layers of van derWaals heterostructures provide a unique control over light-matter interaction at the nanoscale and with various applications in flat optics. Natural hyperbolic surface plasmons have been observed on thin films of WTe2 in the light wavelength range of 16-23 mu m (similar or equal to 13-18 THz) [Nat. Commun. 11, 1158 (2020)]. Using time-dependent density functional theory, it is found that carbon doped monolayer phosphorene (beta-allotrope of carbon phosphide monolayer) exhibits natural hyperbolic plasmons at frequencies above similar or equal to 5 THz which is not observed in its parent materials, i.e. monolayer of black phosphorous and graphene. Furthermore, we found that by electrostatic doping the plasmonic frequency range can be extended to the mid-infrared. (C) 2021 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000648729800057 Publication Date 2021-03-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0008-6223 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.337 Times cited 11 Open Access Not_Open_Access  
  Notes Approved Most recent IF: 6.337  
  Call Number UA @ admin @ c:irua:179033 Serial 7039  
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Author Bafekry, A.; Yagmurcukardes, M.; Shahrokhi, M.; Ghergherehchi, M. pdf  doi
openurl 
  Title Electro-optical properties of monolayer and bilayer boron-doped C₃N: Tunable electronic structure via strain engineering and electric field Type A1 Journal article
  Year 2020 Publication Carbon Abbreviated Journal Carbon  
  Volume 168 Issue Pages 220-229  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In this work, the structural, electronic and optical properties of monolayer and bilayer of boron doped C3N are investigated by means of density functional theory-based first-principles calculations. Our results show that with increasing the B dopant concentration from 3.1% to 12.5% in the hexagonal pattern, an indirect-to-direct band gap (0.8 eV) transition occurs. Furthermore, we study the effect of electric field and strain on the B doped C3N bilayer (B-C3N@2L). It is shown that by increasing E-field strength from 0.1 to 0.6V/angstrom, the band gap displays almost a linear decreasing trend, while for the > 0.6V/angstrom, we find dual narrow band gap with of 50 meV (in parallel E-field) and 0.4 eV (in antiparallel E-field). Our results reveal that in-plane and out-of-plane strains can modulate the band gap and band edge positions of the B-C3N@2L. Overall, we predict that B-C3N@2L is a new platform for the study of novel physical properties in layered two-dimensional materials (2DM) which may provide new opportunities to realize high-speed low-dissipation devices. (C) 2020 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000565900900008 Publication Date 2020-07-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0008-6223 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 10.9 Times cited 21 Open Access  
  Notes ; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government(MSIT) (NRF-2017R1A2B2011989). M. Yagmurcukardes acknowledges Flemish Science Foundation (FWO-VI) by a postdoctoral fellowship. ; Approved Most recent IF: 10.9; 2020 IF: 6.337  
  Call Number UA @ admin @ c:irua:171914 Serial 6500  
Permanent link to this record
 

 
Author Li, L.; Kong, X.; Peeters, F.M. pdf  doi
openurl 
  Title New nanoporous graphyne monolayer as nodal line semimetal : double Dirac points with an ultrahigh Fermi velocity Type A1 Journal article
  Year 2019 Publication Carbon Abbreviated Journal Carbon  
  Volume 141 Issue 141 Pages 712-718  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Two-dimensional (2D) carbon materials play an important role in nanomaterials. We propose a new carbon monolayer, named hexagonal-4,4,4-graphyne (H-4,H-4,H-4-graphyne), which is a nanoporous structure composed of rectangular carbon rings and triple bonds of carbon. Using first-principles calculations, we systematically studied the structure, stability, and band structure of this new material. We found that its total energy is lower than that of experimentally synthesized beta-graphdiyne and it is stable at least up to 1500 K. In contrast to the single Dirac point band structure of other 2D carbon monolayers, the band structure of H-4,H-4,H-4-graphyne exhibits double Dirac points along the high-symmetry points and the corresponding Fermi velocities (1.04-1.27 x 10(6) m/s) are asymmetric and higher than that of graphene. The origin of these double Dirac points is traced back to the nodal line states, which can be well explained by a tight-binding model. The H-4,H-4,H-4-graphyne forms a moire superstructure when placed on top of a hexagonal boron nitride substrate. These properties make H-4,H-4,H-4-graphyne a promising semimetal material for applications in high-speed electronic devices. (C) 2018 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000450312600072 Publication Date 2018-10-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0008-6223 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.337 Times cited 43 Open Access  
  Notes ; This work was supported by the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl), and the FLAG-ERA project TRANS2DTMD. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government -department EWI. ; Approved Most recent IF: 6.337  
  Call Number UA @ admin @ c:irua:155364 Serial 5222  
Permanent link to this record
 

 
Author Li, L.; Kong, X.; Leenaerts, O.; Chen, X.; Sanyal, B.; Peeters, F.M. pdf  doi
openurl 
  Title Carbon-rich carbon nitride monolayers with Dirac cones : Dumbbell C4N Type A1 Journal article
  Year 2017 Publication Carbon Abbreviated Journal Carbon  
  Volume 118 Issue 118 Pages 285-290  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Two-dimensional (2D) carbon nitride materials play an important role in energy-harvesting, energy-storage and environmental applications. Recently, a new carbon nitride, 2D polyaniline (C3N) was proposed [PNAS 113 (2016) 7414-7419]. Based on the structure model of this C3N monolayer, we propose two new carbon nitride monolayers, named dumbbell (DB) C4N-I and C4N-II. Using first-principles calculations, we systematically study the structure, stability, and band structure of these two materials. In contrast to other carbon nitride monolayers, the orbital hybridization of the C/N atoms in the DB C4N monolayers is sp(3). Remarkably, the band structures of the two DB C4N monolayers have a Dirac cone at the K point and their Fermi velocities (2.6/2.4 x 10(5) m/s) are comparable to that of graphene. This makes them promising materials for applications in high-speed electronic devices. Using a tight-binding model, we explain the origin of the Dirac cone. (C) 2017 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000401120800033 Publication Date 2017-03-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0008-6223 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.337 Times cited 36 Open Access  
  Notes Approved Most recent IF: 6.337  
  Call Number UA @ lucian @ c:irua:143726 Serial 4588  
Permanent link to this record
 

 
Author Lu, Y.-G.; Turner, S.; Ekimov, E.A.; Verbeeck, J.; Van Tendeloo, G. pdf  doi
openurl 
  Title Boron-rich inclusions and boron distribution in HPHT polycrystalline superconducting diamond Type A1 Journal article
  Year 2015 Publication Carbon Abbreviated Journal Carbon  
  Volume 86 Issue 86 Pages 156-162  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Polycrystalline boron-doped superconducting diamond, synthesized at high pressure and high temperature (HPHT) via a reaction of a single piece of crystalline boron with monolithic graphite, has been investigated by analytical transmission electron microscopy. The local boron distribution and boron environment have been studied by a combination of (scanning) transmission electron microscopy ((S)TEM) and spatially resolved electron energy-loss spectroscopy (EELS). High resolution TEM imaging and EELS elemental mapping have established, for the first time, the presence of largely crystalline diamond-diamond grain boundaries within the material and have evidenced the presence of substitutional boron dopants within individual diamond grains. Confirmation of the presence of substitutional B dopants has been obtained through comparison of acquired boron K-edge EELS fine structures with known references. This confirmation is important to understand the origin of superconductivity in polycrystalline B-doped diamond. In addition to the substitutional boron doping, boron-rich inclusions and triple-points, both amorphous and crystalline, with chemical compositions close to boron carbide B4C, are evidenced. (C) 2015 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000352922700019 Publication Date 2015-01-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.337 Times cited 20 Open Access  
  Notes FWO; 246791 COUNTATOMS; 278510 VORTEX; Hercules ECASJO_; Approved Most recent IF: 6.337; 2015 IF: 6.196  
  Call Number c:irua:125994UA @ admin @ c:irua:125994 Serial 250  
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Author Xu, P.; Qi, D.; Schoelz, J.K.; Thompson, J.; Thibado, P.M.; Wheeler, V.D.; Nyakiti, L.O.; Myers-Ward, R.L.; Eddy, C.R.; Gaskill, D.K.; Neek-Amal, M.; Peeters, F.M.; doi  openurl
  Title Multilayer graphene, Moire patterns, grain boundaries and defects identified by scanning tunneling microscopy on the m-plane, non-polar surface of SiC Type A1 Journal article
  Year 2014 Publication Carbon Abbreviated Journal Carbon  
  Volume 80 Issue Pages 75-81  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Epitaxial graphene is grown on a non-polar n(+) 6H-SiC m-plane substrate and studied using atomic scale scanning tunneling microscopy. Multilayer graphene is found throughout the surface and exhibits rotational disorder. Moire patterns of different spatial periodicities are found, and we found that as the wavelength increases, so does the amplitude of the modulations. This relationship reveals information about the interplay between the energy required to bend graphene and the interaction energy, i.e. van der Waals energy, with the graphene layer below. Our experiments are supported by theoretical calculations which predict that the membrane topographical amplitude scales with the Moire pattern wavelength, L as L-1 + alpha L-2. (C) 2014 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000344132400009 Publication Date 2014-08-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.337 Times cited 14 Open Access  
  Notes ; P.X. and P.M.T. gratefully acknowledge the financial support of ONR under grant N00014-10-1-0181 and NSF under grant DMR-0855358. L.O.N. acknowledges the support of American Society for Engineering Education and Naval Research Laboratory Postdoctoral Fellow Program. Work at the U.S. Naval Research Laboratory is supported by the Office of Naval Research. This work was supported by the Flemish Science Foundation (FWO-Vl), the Methusalem Foundation of the Flemish Government, and the EUROgraphene project CONGRAN. M.N.-A was supported by the EU-Marie Curie IIF postdoc Fellowship 299855. ; Approved Most recent IF: 6.337; 2014 IF: 6.196  
  Call Number UA @ lucian @ c:irua:121194 Serial 2221  
Permanent link to this record
 

 
Author da Costa, D.R.; Zarenia, M.; Chaves, A.; Farias, G.A.; Peeters, F.M. pdf  doi
openurl 
  Title Analytical study of the energy levels in bilayer graphene quantum dots Type A1 Journal article
  Year 2014 Publication Carbon Abbreviated Journal Carbon  
  Volume 78 Issue Pages 392-400  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using the four-band continuum model we derive a general expression for the infinite-mass boundary condition in bilayer graphene. Applying this new boundary condition we analytically calculate the confined states and the corresponding wave functions in a bilayer graphene quantum dot in the absence and presence of a perpendicular magnetic field. Our results for the energy spectrum show an energy gap between the electron and hole states at small magnetic fields. Furthermore the electron (e) and hole (h) energy levels corresponding to the K and K' valleys exhibit the E-K(e(h)) (m) = E-K'(e(h)) (m) symmetry, where m is the angular momentum quantum number. (C) 2014 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000341463900042 Publication Date 2014-07-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.337 Times cited 35 Open Access  
  Notes ; This work was financially supported by CNPq, under contract NanoBioEstruturas 555183/2005-0, PRONEX/FUNCAP, CAPES Foundation under the process number BEX 7178/13-1, the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES program Euro-GRAPHENE (project CONGRAN), the Bilateral programme between CNPq and FWO-Vl, and the Brazilian Program Science Without Borders (CsF). We thank M. Ramezani Masir and M. Grujic for helpful comments and discussions. ; Approved Most recent IF: 6.337; 2014 IF: 6.196  
  Call Number UA @ lucian @ c:irua:119280 Serial 109  
Permanent link to this record
 

 
Author Neyts, E.C.; Bogaerts, A. doi  openurl
  Title Ion irradiation for improved graphene network formation in carbon nanotube growth Type A1 Journal article
  Year 2014 Publication Carbon Abbreviated Journal Carbon  
  Volume 77 Issue Pages 790-795  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Ion irradiation of carbon nanotubes very often leads to defect formation. However, we have recently shown that Ar ion irradiation in a limited energy window of 1025 eV may enhance the initial cap nucleation process, when the carbon network is in contact with the metal nanocatalyst. Here, we employ reactive molecular dynamics simulations to demonstrate that ion irradiation in a higher energy window of 1035 eV may also heal network defects after the nucleation stage through a non-metal-mediated mechanism, when the carbon network is no longer in contact with the metal nanocatalyst. The results demonstrate the possibility of beneficially utilizing ions in e.g. plasma-enhanced chemical vapour deposition of carbon nanotubes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000340689400083 Publication Date 2014-06-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.337 Times cited 7 Open Access  
  Notes Approved Most recent IF: 6.337; 2014 IF: 6.196  
  Call Number UA @ lucian @ c:irua:118062 Serial 1745  
Permanent link to this record
 

 
Author Shariat, M.; Hosseini, S.I.; Shokri, B.; Neyts, E.C. doi  openurl
  Title Plasma enhanced growth of single walled carbon nanotubes at low temperature : a reactive molecular dynamics simulation Type A1 Journal article
  Year 2013 Publication Carbon Abbreviated Journal Carbon  
  Volume 65 Issue Pages 269-276  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Low-temperature growth of carbon nanotubes (CNTs) has been claimed to provide a route towards chiral-selective growth, enabling a host of applications. In this contribution, we employ reactive molecular dynamics simulations to demonstrate how plasma-based deposition allows such low-temperature growth. We first show how ion bombardment during the growth affects the carbon dissolution and precipitation process. We then continue to demonstrate how a narrow ion energy window allows CNT growth at 500 K. Finally, we also show how CNTs in contrast cannot be grown in thermal CVD at this low temperature, but only at high temperature, in agreement with experimental data. (C) 2013 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000326773200031 Publication Date 2013-08-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.337 Times cited 21 Open Access  
  Notes Approved Most recent IF: 6.337; 2013 IF: 6.160  
  Call Number UA @ lucian @ c:irua:112697 Serial 2635  
Permanent link to this record
 

 
Author He, Z.; Ke, X.; Bals, S.; Van Tendeloo, G. pdf  doi
openurl 
  Title Direct evidence for the existence of multi-walled carbon nanotubes with hexagonal cross-sections Type A1 Journal article
  Year 2012 Publication Carbon Abbreviated Journal Carbon  
  Volume 50 Issue 7 Pages 2524-2529  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Carbon nanotubes (CNTs) with a polygonal cross-section have been paid increasing attention since their three-dimensional structure is related to specific physical properties, which are found to be different in comparison to CNTs with a circular cross-section. Here, we report the existence of novel multi-walled CNTs yielding walls with a rounded-hexagonal configuration. This structure was directly confirmed for the first time by both cross-sectional transmission electron microscopy and electron tomography. The morphology of the Fe catalytic particle also exhibits hexagonal characteristics, and is proposed as the origin of the formation of the rounded-hexagonal walls of the CNT. This observation is of great importance with respect to the design of polygonal (such as pentagonal or hexagonal) cross-sectional CNTs. By controlling the morphology of the catalytic nanoparticles it will be possible to grow CNTs with desired electronic and mechanical properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000303038400015 Publication Date 2012-02-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.337 Times cited 8 Open Access  
  Notes Fwo Approved Most recent IF: 6.337; 2012 IF: 5.868  
  Call Number UA @ lucian @ c:irua:96956 Serial 711  
Permanent link to this record
 

 
Author Corthals, S.; van Noyen, J.; Geboers, J.; Vosch, T.; Liang, D.; Ke, X.; Hofkens, J.; Van Tendeloo, G.; Jacobs, P.; Sels, B. pdf  doi
openurl 
  Title The beneficial effect of CO2 in the low temperature synthesis of high quality carbon nanofibers and thin multiwalled carbon nanotubes from CH_{4} over Ni catalysts Type A1 Journal article
  Year 2012 Publication Carbon Abbreviated Journal Carbon  
  Volume 50 Issue 2 Pages 372-384  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A low temperature chemical vapor deposition method is described for converting CH4 into high-quality carbon nanofibers (CNFs) using a Ni catalyst supported on either spinel or perovskite oxides in the presence of CO2. The addition of CO2 has a significant influence on CNF purity and stability, while the CNF diameter distribution is significantly narrowed. Ultimately, the addition of CO2 changes the CNF structure from fishbone fibers to thin multiwalled carbon nanotubes. A new in situ cooling principle taking into account dry reforming chemistry and thermodynamics is introduced to account for the structural effects of CO2.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000297397700004 Publication Date 2011-09-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.337 Times cited 26 Open Access  
  Notes Iwt; Iap Approved Most recent IF: 6.337; 2012 IF: 5.868  
  Call Number UA @ lucian @ c:irua:93626 Serial 228  
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Author He, Z.; Lee, C.S.; Maurice, J.-L.; Pribat, D.; Haghi-Ashtiani, P.; Cojocaru, C.S. pdf  doi
openurl 
  Title Vertically oriented nickel nanorod/carbon nanofiber core/shell structures synthesized by plasma-enhanced chemical vapor deposition Type A1 Journal article
  Year 2011 Publication Carbon Abbreviated Journal Carbon  
  Volume 49 Issue 14 Pages 4710-4718  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Plasma-enhanced chemical vapor deposition, without a nickel-containing gaseous precursor, was used to synthesize continuous nickel (Ni) nanorods inside the hollow cavity of carbon nanofibers (CNFs), thus forming vertically aligned Ni/CNF core/shell structures. Scanning and transmission electron microscopic images indicate that the elongated Ni nanorods originate from the catalyst particles at the tips of the CNFs and that their formation is due to the effect of extrusion induced by the compressive force of the graphene layers during growth. Different from previous work, each vertically-aligned core/shell structure reported is totally isolated from its neighbors. Continuous Ni nanorods are found to separate into smaller ones with increasing growth time, which was ascribed to (i) the limited amount of Ni available in the tip of the CNF, (ii) the polycrystalline nature of the Ni nanorods and (iii) the combined effects of the compressive stresses on the side of the Ni nanorods and of the tensile stress along their axis.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000295308300010 Publication Date 2011-06-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.337 Times cited 16 Open Access  
  Notes Approved Most recent IF: 6.337; 2011 IF: 5.378  
  Call Number UA @ lucian @ c:irua:92782 Serial 3841  
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