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Author Adelmann, C.; Sankaran, K.; Dutta, S.; Gupta, A.; Kundu, S.; Jamieson, G.; Moors, K.; Pinna, N.; Ciofi, I.; Van Elshocht, S.; Bommels, J.; Boccardi, G.; Wilson, C.J.; Pourtois, G.; Tokei, Z. pdf  doi
openurl 
  Title (up) Alternative Metals: from ab initio Screening to Calibrated Narrow Line Models Type P1 Proceeding
  Year 2018 Publication Proceedings of the IEEE ... International Interconnect Technology Conference T2 – IEEE International Interconnect Technology Conference (IITC), JUN 04-07, 2018, Santa Clara, CA Abbreviated Journal  
  Volume Issue Pages 154-156  
  Keywords P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract We discuss the selection and assessment of alternative metals by a combination of ab initio computation of electronic properties, experimental resistivity assessments, and calibrated line resistance models. Pt-group metals as well as Nb are identified as the most promising elements, with Ru showing the best combination of material properties and process maturity. An experimental assessment of the resistivity of Ru, Ir, and Co lines down to similar to 30 nm(2) is then used to devise compact models for line and via resistance that can be compared to Cu predictions. The main advantage of alternative metals originates from the possibility for barrierless metallization.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000468672900051 Publication Date 2018-09-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 978-1-5386-4337-2; 978-1-5386-4337-2 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:160473 Serial 7436  
Permanent link to this record
 

 
Author Velazco Torrejón, A. url  openurl
  Title (up) Alternative scan strategies for high resolution STEM imaging Type Doctoral thesis
  Year 2021 Publication Abbreviated Journal  
  Volume Issue Pages 131 p.  
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)  
  Abstract Currently, a large variety of materials are studied by transmission electron microscopy (TEM) as it offers the possibility to perform structural and elemental analysis at a local scale. Relatively recent advances in aberration correctors and electron sources allow the instrument to achieve atomic resolution. Along with these advances, a state-of-the-art technology has been reached in TEM. However, the instrument is far from being perfect and imperfections or external sources can make the interpretation of information troublesome. Environmental factors such as acoustic and mechanical vibrations, temperature fluctuations, etc., can induce sample drift and create image distortions. These distortions are enhanced in scanning operation because of the serial acquisition of the information, which are more apparent at atomic resolution as small field of views are imaged. In addition, scanning distortions are induced due to the finite time response of the scan coils. These types of distortions would reduce precision in atomic-scale strain analysis, for instance, in semiconductors. Most of the efforts to correct these distortions are focused on data processing techniques post-acquisition. Another limitation in TEM is beam damage effects. Beam damage arises because of the energy transferred to the sample in electron-sample interactions. In scanning TEM, at atomic resolution, the increased electron charge density (electron dose) carried on a sub-Å size electron probe may aggravate beam damage effects. Soft materials such as zeolites, organic, biological materials, etc., can be destroyed under irradiation limiting the amount of information that can be acquired. Current efforts to circumvent beam damage are mostly based on low electron dose acquisitions and data processing methods to maximize the signal at low dose conditions. In this thesis, a different approach is given to address drift and scanning distortions, as well as beam damage effects. Novel scan strategies are proposed for that purpose, which are shown to substantially overcome these issues compared to the standard scan method in TEM.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:180973 Serial 6852  
Permanent link to this record
 

 
Author Akgenc, B.; Sarikurt, S.; Yagmurcukardes, M.; Ersan, F. pdf  url
doi  openurl
  Title (up) Aluminum and lithium sulfur batteries : a review of recent progress and future directions Type A1 Journal article
  Year 2021 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat  
  Volume 33 Issue 25 Pages 253002  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Advanced materials with various micro-/nanostructures have attracted plenty of attention for decades in energy storage devices such as rechargeable batteries (ion- or sulfur based batteries) and supercapacitors. To improve the electrochemical performance of batteries, it is uttermost important to develop advanced electrode materials. Moreover, the cathode material is also important that it restricts the efficiency and practical application of aluminum-ion batteries. Among the potential cathode materials, sulfur has become an important candidate material for aluminum-ion batteries cause of its considerable specific capacity. Two-dimensional materials are currently potential candidates as electrodes from lab-scale experiments to possible pragmatic theoretical studies. In this review, the fundamental principles, historical progress, latest developments, and major problems in Li-S and Al-S batteries are reviewed. Finally, future directions in terms of the experimental and theoretical applications have prospected.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000655281200001 Publication Date 2021-04-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 2.649  
  Call Number UA @ admin @ c:irua:179034 Serial 6971  
Permanent link to this record
 

 
Author Collart, O.; Cool, P.; van der Voort, P.; Meynen, V.; Vansant, E.F.; Houthoofd, K.J.; Grobet, P.J.; Lebedev, O.I.; Van Tendeloo, G. pdf  doi
openurl 
  Title (up) Aluminum incorporation into MCM-48 toward the creation of Brønsted acidity Type A1 Journal article
  Year 2004 Publication The journal of physical chemistry : B : condensed matter, materials, surfaces, interfaces and biophysical Abbreviated Journal J Phys Chem B  
  Volume 108 Issue Pages 13905-13912  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000224164000003 Publication Date 2004-09-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1520-6106;1520-5207; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.177 Times cited 13 Open Access  
  Notes Fwo; Iuap P5/01 Approved Most recent IF: 3.177; 2004 IF: 3.834  
  Call Number UA @ lucian @ c:irua:49014 Serial 92  
Permanent link to this record
 

 
Author Skaggs, C.M.; Kang, C.-J.; Perez, C.J.; Hadermann, J.; Emge, T.J.; Frank, C.E.; Pak, C.; Lapidus, S.H.; Walker, D.; Kotliar, G.; Kauzlarich, S.M.; Tan, X.; Greenblatt, M. pdf  url
doi  openurl
  Title (up) Ambient and high pressure CuNiSb₂ : metal-ordered and metal-disordered NiAs-type derivative pnictides Type A1 Journal article
  Year 2020 Publication Inorganic Chemistry Abbreviated Journal Inorg Chem  
  Volume 59 Issue 19 Pages 14058-14069  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The mineral Zlatogorite, CuNiSb2, was synthesized in the laboratory for the first time by annealing elements at ambient pressure (CuNiSb2-AP). Rietveld refinement of synchrotron powder X-ray diffraction data indicates that CuNiSb2-AP crystallizes in the NiAs-derived structure (P (3) over bar m1, #164) with Cu and Ni ordering. The structure consists of alternate NiSb6 and CuSb6 octahedral layers via face-sharing. The formation of such structure instead of metal disordered NiAs-type structure (P6(3)/mmc, #194) is validated by the lower energy of the ordered phase by first-principle calculations. Interatomic crystal orbital Hamilton population, electron localization function, and charge density analysis reveal strong Ni-Sb, Cu-Sb, and Cu-Ni bonding and long weak Sb-Sb interactions in CuNiSb2-AP. The magnetic measurement indicates that CuNiSb2-AP is Pauli paramagnetic. First-principle calculations and experimental electrical resistivity measurements reveal that CuNiSb2-AP is a metal. The low Seebeck coefficient and large thermal conductivity suggest that CuNiSb2 is not a potential thermoelectric material. Single crystals were grown by chemical vapor transport. The high pressure sample (CuNiSb2-8 GPa) was prepared by pressing CuNiSb2-AP at 700 degrees C and 8 GPa. However, the structures of single crystal and CuNiSb2-8 GPa are best fit with a disordered metal structure in the P (3) over bar m1 space group, corroborated by transmission electron microscopy.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000580381700028 Publication Date 2020-09-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 4.6 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 4.6; 2020 IF: 4.857  
  Call Number UA @ admin @ c:irua:174331 Serial 6714  
Permanent link to this record
 

 
Author Andersen, Ja.; van 't Veer, K.; Christensen, Jm.; Østberg, M.; Bogaerts, A.; Jensen, Ad. url  doi
openurl 
  Title (up) Ammonia decomposition in a dielectric barrier discharge plasma: Insights from experiments and kinetic modeling Type A1 Journal article
  Year 2023 Publication Chemical engineering science Abbreviated Journal  
  Volume 271 Issue Pages 118550  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Utilizing ammonia as a storage medium for hydrogen is currently receiving increased attention. A possible method to retrieve the hydrogen is by plasma-catalytic decomposition. In this work, we combined an experimental study, using a dielectric barrier discharge plasma reactor, with a plasma kinetic model, to get insights into the decomposition mechanism. The experimental results revealed a similar effect on the ammonia conversion when changing the flow rate and power, where increasing the specific energy input (higher power or lower flow rate) gave an increased conversion. A conversion as high as 82 % was achieved at a specific energy input of 18 kJ/Nl. Furthermore, when changing the discharge volume from 31 to 10 cm3, a change in the plasma distribution factor from 0.2 to 0.1 was needed in the model to best describe the conversions of the experiments. This means that a smaller plasma volume caused a higher transfer of energy through micro-discharges (non-uniform plasma), which was found to promote the decomposition of ammonia. These results indicate that it is the collisions between NH3 and the high-energy electrons that initiate the decomposition. Moreover, the rate of ammonia destruction was found by the model to be in the order of 1022 molecules/(cm3 s) during the micro-discharges, which is 5 to 6 orders of magnitude higher than in the afterglows. A considerable re-formation of ammonia was found to take place in the afterglows, limiting the overall conversion. In addition, the model revealed that implementation of packing material in the plasma introduced high concentrations of surface-bound hydrogen atoms, which introduced an additional ammonia re-formation pathway through an Eley-Rideal reaction with gas phase NH2. Furthermore, a more uniform plasma is predicted in the presence of MgAl2O4, which leads to a lower average electron energy during micro-discharges and a lower conversion (37 %) at a comparable residence time for the plasma alone (51 %).  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000946293200001 Publication Date 2023-02-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2509 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.7 Times cited Open Access OpenAccess  
  Notes We thank Topsoe A/S for providing the packing material used, the research group PLASMANT (UAntwerpen) for sharing their plasma kinetic model and allowing us to perform the calculations on their clusters, and the Department of Chemical and Biochemical Engineering, Technical University of Denmark, for funding this project. Approved Most recent IF: 4.7; 2023 IF: 2.895  
  Call Number PLASMANT @ plasmant @c:irua:195204 Serial 7237  
Permanent link to this record
 

 
Author Faust, V.; van Alen, T.A.; Op den Camp, H.J.M.; Vlaeminck, S.E.; Ganigué, R.; Boon, N.; Udert, K.M. url  doi
openurl 
  Title (up) Ammonia oxidation by novel “Candidatus Nitrosacidococcus urinae” is sensitive to process disturbances at low pH and to iron limitation at neutral pH Type A1 Journal article
  Year 2022 Publication Water Research X Abbreviated Journal  
  Volume 17 Issue Pages 100157-11  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Acid-tolerant ammonia-oxidizing bacteria (AOB) can open the door to new applications, such as partial nitritation at low pH. However, they can also be problematic because chemical nitrite oxidation occurs at low pH, leading to the release of harmful nitrogen oxide gases. In this publication, the role of acid-tolerant AOB in urine treatment was explored. On the one hand, the technical feasibility of ammonia oxidation under acidic conditions for source-separated urine with total nitrogen concentrations up to 3.5 g-N L−1 was investigated. On the other hand, the abundance and growth of acid-tolerant AOB at more neutral pH was explored. Under acidic conditions (pH of 5), ammonia oxidation rates of 500 mg-N L−1 d−1 and 10 g-N g-VSS-1 d-1 were observed, despite high concentrations of 15 mg-N L−1 of the AOB-inhibiting compound nitrous acid and low concentration of 0.04 mg-N L−1 of the substrate ammonia. However, ammonia oxidation under acidic conditions was very sensitive to process disturbances. Even short periods of less than 12 h without oxygen or without influent resulted in a complete cessation of ammonia oxidation with a recovery time of up to two months, which is a problem for low maintenance applications such as decentralized treatment. Furthermore, undesirable nitrogen losses of about 10% were observed. Under acidic conditions, a novel AOB strain was enriched with a relative abundance of up to 80%, for which the name “Candidatus (Ca.) Nitrosacidococcus urinae” is proposed. While Nitrosacidococcus members were present only to a small extent (0.004%) in urine nitrification reactors operated at pH values between 5.8 and 7, acid-tolerant AOB were always enriched during long periods without influent, resulting in an uncontrolled drop in pH to as low as 2.5. Long-term experiments at different pH values showed that the activity of “Ca. Nitrosacidococcus urinae” decreased strongly at a pH of 7, where they were also outcompeted by the acid-sensitive AOB Nitrosomonas halophila. The experiment results showed that the decreased activity of “Ca. Nitrosacidococcus urinae” correlated with the limited availability of dissolved iron at neutral pH.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000877925500001 Publication Date 2022-10-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2589-9147 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:190944 Serial 7124  
Permanent link to this record
 

 
Author Vingerhoets, R.; Brienza, C.; Sigurnjak, I.; Buysse, J.; Vlaeminck, S.E.; Spiller, M.; Meers, E. pdf  doi
openurl 
  Title (up) Ammonia stripping and scrubbing followed by nitrification and denitrification saves costs for manure treatment based on a calibrated model approach Type A1 Journal article
  Year 2023 Publication Chemical engineering journal Abbreviated Journal  
  Volume 477 Issue Pages 146984-14  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Resource-efficient nitrogen management is of high environmental and economic interest, and manure represents the major nutrient flow in livestock-intensive regions. Ammonia stripping/scrubbing (SS) is an appealing nitrogen recovery route from manure, yet its real-life implementation has been limited thus far. In nutrient surplus regions like Flanders, treatment of the liquid fraction (LF) of (co–)digested manure typically consists of nitrification/denitrification (NDN) removing most N as nitrogen gas. Integrating SS before NDN in existing plants would expand treatment capacity and recover N while maintaining low N effluent values, yet cost estimations of this novel approach after process optimisation are not yet available. A programming model was developed and calibrated to minimise the treatment costs of this approach and find the balance between N recovery versus N removal. Four crucial operational parameters (CO2 stripping time, NH3 stripping time, temperature and NaOH addition) were optimised for 18 scenarios which were different in terms of technical set-up, influent characteristics and scrubber acid. The model shows that SS before NDN can decrease the costs by 1 to 56% under optimal conditions compared to treatment with NDN only, with 1 to 8% reduction for the LF of manure (22–29% recovered of N treated), and 11 to 56% reduction for the LF of co-digested manure (42–67% recovered of N treated), primarily dependent on resource pricing. This study shows the power of modelling for minimum-cost design and operation of manure treatment yielding savings while producing useful N recovery products with SS followed by NDN.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001108935900001 Publication Date 2023-10-28  
  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  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:200649 Serial 9003  
Permanent link to this record
 

 
Author Shah, J.; Wang, W.; Bogaerts, A.; Carreon, M.L. pdf  url
doi  openurl
  Title (up) Ammonia Synthesis by Radio Frequency Plasma Catalysis: Revealing the Underlying Mechanisms Type A1 Journal article
  Year 2018 Publication ACS applied energy materials Abbreviated Journal ACS Appl. Energy Mater.  
  Volume 1 Issue 9 Pages 4824-4839  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Nonthermal plasma is a promising alternative for ammonia synthesis at gentle conditions. Metal meshes of Fe, Cu, Pd, Ag, and Au were employed as catalysts in radio frequency plasma for ammonia synthesis. The energy yield for all these transition metal catalysts ranged between 0.12 and 0.19 g-NH3/kWh at 300 W and, thus, needs further improvement. In addition, a semimetal, pure gallium, was used for the first time as catalyst for ammonia synthesis, with energy yield of 0.22 g-NH3/kWh and with a maximum yield of ∼10% at 150 W. The emission spectra, as well as computer simulations, revealed hydrogen recombination as a primary governing parameter, which depends on the concentration or flux of H atoms in the plasma and on the catalyst surface. The simulations helped to elucidate the underlying mechanism, implicating the dominance of surface reactions and surface adsorbed species. The rate limiting step appears to be NH2 formation on the surface of the reactor wall and on the catalyst surface, which is different from classical catalysis.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000458706500048 Publication Date 2018-09-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2574-0962 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access Not_Open_Access  
  Notes M.L.C. acknowledges financial support from The University of Tulsa Faculty Startup Funds and The University of Tulsa Faculty Development Summer Fellowship Grant (FDSF). A.B. acknowledges financial support from the Excellence of Science program of the Fund for Scientific Research (FWO-FNRS; Grant no. G0F91618N; EOS ID 30505023). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. Approved Most recent IF: NA  
  Call Number PLASMANT @ plasmant @c:irua:153804 Serial 5051  
Permanent link to this record
 

 
Author Rahemi, V.; Trashin, S.; Hafideddine, Z.; Van Doorslaer, S.; Meynen, V.; Gorton, L.; De Wael, K. url  doi
openurl 
  Title (up) Amperometric flow-injection analysis of phenols induced by reactive oxygen species generated under daylight irradiation of titania impregnated with horseradish peroxidase Type A1 Journal article
  Year 2020 Publication Analytical Chemistry Abbreviated Journal Anal Chem  
  Volume 92 Issue 92 Pages 3643-3649  
  Keywords A1 Journal article; Laboratory of adsorption and catalysis (LADCA); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Titanium dioxide (TiO2) is a unique material for biosensing applications due to its capability of hosting enzymes. For the first time, we show that TiO2 can accumulate reactive oxygen species (ROS) under daylight irradiation and can support the catalytic cycle of horseradish peroxidase (HRP) without the need of H2O2 to be present in the solution. Phenolic compounds, such as hydroquinone (HQ) and 4-aminophenol (4-AP), were detected amperometrically in flow-injection analysis (FIA) mode via the use of an electrode modified with TiO2 impregnated with HRP. In contrast to the conventional detection scheme, no H2O2 was added to the analyte solution. Basically, the inherited ability of TiO2 to generate reactive oxygen species is used as a strategy to avoid adding H2O2 in the solution during the detection of phenolic compounds. Electron paramagnetic resonance (EPR) spectroscopy indicates the presence of ROS on titania which, in interaction with HRP, initiate the electrocatalysis toward phenolic compounds. The amperometric response to 4-AP was linear in the concentration range between 0.05 and 2 μM. The sensitivity was 0.51 A M–1 cm–2, and the limit of detection (LOD) 26 nM. The proposed sensor design opens new opportunities for the detection of phenolic traces by HRP-based electrochemical biosensors, yet in a more straightforward and sensitive way following green chemistry principles of avoiding the use of reactive and harmful chemical, such as H2O2.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000518234700023 Publication Date 2020-01-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.4 Times cited 3 Open Access  
  Notes ; The authors thank Scientific Reseatch-Flanders (F-WO) (grant 12T4219N) for funding. ; Approved Most recent IF: 7.4; 2020 IF: 6.32  
  Call Number UA @ admin @ c:irua:166241 Serial 5463  
Permanent link to this record
 

 
Author Taylor, P.R.; Martin, J.M.L.; François, J.P.; Gijbels, R. openurl 
  Title (up) An ab initio study of the C3+ cation using multireference methods Type A1 Journal article
  Year 1991 Publication The journal of chemical physics Abbreviated Journal J Chem Phys  
  Volume 95 Issue Pages 6530-6534  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9606 ISBN Additional Links UA library record  
  Impact Factor 2.952 Times cited Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:720 Serial 39  
Permanent link to this record
 

 
Author Schoeters, B. openurl 
  Title (up) An ab initio study of the properties of doped semiconducting nanwires Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:128354 Serial 4133  
Permanent link to this record
 

 
Author Lobato Hoyos, I.P.; van Dyck, D. url  doi
openurl 
  Title (up) An accurate parameterization for scattering factors, electron densities and electrostatic potentials for neutral atoms that obey all physical constraints Type A1 Journal article
  Year 2014 Publication Acta crystallographica: section A: foundations of crystallography Abbreviated Journal Acta Crystallogr A  
  Volume 70 Issue 6 Pages 636-649  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab  
  Abstract An efficient procedure and computer program are outlined for fitting numerical X-ray and electron scattering factors with the correct inclusion of all physical constraints. The numerical electron scattering factors have been parameterized using five analytic non-relativistic hydrogen electron scattering factors as basis functions for 103 neutral atoms of the periodic table. The inclusion of the correct physical constraints in the electron scattering factor and its derived quantities allows the use of the new parameterization in different fields. In terms of quality of the fit, the proposed parameterization of the electron scattering factor is one order of magnitude better than the previous analytic fittings.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Copenhagen Editor  
  Language Wos 000344599300012 Publication Date 2014-10-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2053-2733; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.725 Times cited 19 Open Access  
  Notes Approved Most recent IF: 5.725; 2014 IF: NA  
  Call Number UA @ lucian @ c:irua:122103 Serial 93  
Permanent link to this record
 

 
Author Rahemi, V.; Trashin, S.; Meynen, V.; De Wael, K. pdf  url
doi  openurl
  Title (up) An adhesive conducting electrode material based on commercial mesoporous titanium dioxide as a support for Horseradish peroxidase for bioelectrochemical applications Type A1 Journal article
  Year 2016 Publication Talanta : the international journal of pure and applied analytical chemistry Abbreviated Journal Talanta  
  Volume 146 Issue Pages 689-693  
  Keywords A1 Journal article; Laboratory of adsorption and catalysis (LADCA); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract An adhesive conducting electrode material containing of graphite, biocompatible ion exchange polymer nafion® and commercial mesoporous TiO2 impregnated with horseradish peroxidase (HRP) is prepared and characterized by amperometric, UVvis and N2 sorption methods. The factors influencing the performance of the resulting biosensor are studied in detail. The optimal electrode material consists of 45% graphite, 50% impregnated HRPTiO2 and 5% nafion®. The optimum conditions for H2O2 reduction are an applied potential of 0.3 V and 0.1 mM hydroquinone. Sensitivity and limit of detection in the optimum conditions are 1 A M−1 cm−2 and 1 µM correspondingly. The N2 sorption results show that the pore volume of TiO2 decreases sharply upon adsorption of HRP. The preparation process of the proposed enzyme electrode is straightforward and potentially can be used for preparation of carbon paste electrodes for bioelectrochemical detections.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000363815600093 Publication Date 2015-06-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0039-9140; 1873-3573 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.162 Times cited 7 Open Access  
  Notes ; The authors thank the Fund for Scientific Research – Flanders (FWO) (Grant G.0687.13), the GOA-BOF UA 2013-2016 (project-ID 28312) for funding and Ward Huybrechts of the University of Antwerp, Laboratory of Adsorption and Catalysis (LADCA) for help with the N<INF>2</INF> sorption. ; Approved Most recent IF: 4.162  
  Call Number UA @ admin @ c:irua:126495 Serial 5458  
Permanent link to this record
 

 
Author Yao, X. url  openurl
  Title (up) An advanced TEM study on quantification of Ni4Ti3 precipitates in low temperature aged Ni-Ti shape memory alloy Type Doctoral thesis
  Year 2019 Publication Abbreviated Journal  
  Volume Issue Pages 149 p.  
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:164987 Serial 6284  
Permanent link to this record
 

 
Author Maes, D.; Van Passel, S. pdf  doi
openurl 
  Title (up) An agent-based model of farmer behaviour to explain the limited adaptability of Flemish agriculture Type A1 Journal article
  Year 2017 Publication Environmental Innovation and Societal Transitions Abbreviated Journal  
  Volume 22 Issue Pages 63-77  
  Keywords A1 Journal article; Engineering Management (ENM)  
  Abstract Transition projects have been implemented for Flemish agriculture since 2003, but these did not enable a transformation of the agricultural sector. This paper looks at pre-transition scenarios that have been collectively designed by stakeholders of the agricultural sector in 2002. These foresaw decreases in the regional animal stocks in Flanders. However, the real evolution of the sector did not reveal such a decrease. It is assumed that the individual adaptive behaviour of farmers can explain the unexpected stability of the Flemish agricultural sector. A detailed agent-based model has been built to replicate the past evolution, accounting for structural diversity of farmers, heterogeneity in behaviour, and natural resource constraints. The results indicate that different forms of rigidity in the individual behaviour of farmers slow down the adaptation of the agricultural sector. Future transition scenarios should account for these elements in order not to overestimate the speed of change in the sector. (C) 2016 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000400269900006 Publication Date 2016-07-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2210-4224 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 1 Open Access  
  Notes ; This project was financed by the Impuls-project of the Transnational University Limburg (TUL, Belgium and theNetherlands). A prior version of the results was presented in September 2014 at the 10th annual meeting of the European Social Simulation Association (ESSA) in Barcelona; the remarks from participants improved this manuscript. Thecomputational resources and services in support of this study were provided by the Hercules Foundation and the Flemish Government-department EWI. Prof. Steven Van Passel thanks DG Agriculture (European Commission) for access to theFarm Accountancy Data Network (FADN). All remaining errors are the sole responsibility of the authors. ; Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:143721 Serial 6150  
Permanent link to this record
 

 
Author Ang, F.; Van Passel, S.; Mathijs, E. doi  openurl
  Title (up) An aggregate resource efficiency perspective on sustainability : a sustainable value application to the EU-15 countries Type A1 Journal article
  Year 2011 Publication Ecological Economics Abbreviated Journal Ecol Econ  
  Volume 71 Issue Pages 99-110  
  Keywords A1 Journal article; Economics  
  Abstract The Sustainable Value approach integrates the efficiency with regard to environmental, social and economic resources into a monetary indicator. It gained significant popularity as evidenced by diverse applications at the corporate level. However, its introduction as a measure adhering to the strong sustainability paradigm sparked an ardent debate. This study explores its validity as a macroeconomic strong sustainability measure by applying the Sustainable Value approach to the EU-15 countries. Concretely, we assessed environmental, social and economic resources in combination with the GDP for all EU-15 countries from 1995 to 2006 for three benchmark alternatives. The results show that several countries manage to adequately delink resource use from GDP growth. Furthermore, the remarkable difference in outcome between the national and EU-15 benchmark indicates a possible inefficiency of the current allocation of national resource ceilings imposed by the European institutions. Additionally, by using an effects model we argue that the service degree of the economy and governmental expenditures on social protection and research and development are important determinants of overall resource efficiency. Finally, we sketch out three necessary conditions to link the Sustainable Value approach to the strong sustainability paradigm. (C) 2011 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000297396700011 Publication Date 2011-09-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-8009; 1873-6106 ISBN Additional Links UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles  
  Impact Factor 2.965 Times cited 12 Open Access  
  Notes ; ; Approved Most recent IF: 2.965; 2011 IF: 2.713  
  Call Number UA @ admin @ c:irua:127560 Serial 6151  
Permanent link to this record
 

 
Author Zanaga, D.; Altantzis, T.; Sanctorum, J.; Freitag, B.; Bals, S. pdf  url
doi  openurl
  Title (up) An alternative approach for \zeta-factor measurement using pure element nanoparticles Type A1 Journal article
  Year 2016 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 164 Issue Pages 11-16  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract It is very challenging to measure the chemical composition of hetero nanostructures in a reliable and quantitative manner. Here, we propose a novel and straightforward approach that can be used to quantify energy dispersive X-ray spectra acquired in a transmission electron microscope. Our method is based on a combination of electron tomography and the so-called zeta-factor technique. We will demonstrate the reliability of our approach as well as its applicability by investigating Au-Ag and Au-Pt hetero nanostructures. Given its simplicity, we expect that the method could become a new standard in the field of chemical characterization using electron microscopy. (C) 2016 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000373526200002 Publication Date 2016-03-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.843 Times cited 19 Open Access OpenAccess  
  Notes ; The authors acknowledge financial support from the European Research Council (ERC Starting Grant # 335078-COLOURATOMS) and the European Union under the FP7 (Integrated Infrastructure Initiative N. 312483 – ESTEEM2). ; ecas_Sara Approved Most recent IF: 2.843  
  Call Number UA @ lucian @ c:irua:133259 Serial 4439  
Permanent link to this record
 

 
Author Zanaga, D.; Altantzis, T.; Sanctorum, J.; Freitag, B.; Bals, S. pdf  url
doi  openurl
  Title (up) An alternative approach for ζ-factor measurement using pure element nanoparticles Type A1 Journal article
  Year 2016 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 164 Issue 164 Pages 11-16  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract It is very challenging to measure the chemical composition of hetero nanostructures in a reliable and quantitative manner. Here, we propose a novel and straightforward approach that can be used to quantify energy dispersive X-ray spectra acquired in a transmission electron microscope. Our method is based on a combination of electron tomography and the so-called ζ-factor technique. We will demonstrate the reliability of our approach as well as its applicability by investigating Au-Ag and Au-Pt hetero nanostructures. Given its simplicity, we expect that the method could become a new standard in the field of chemical characterization using electron microscopy.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000373526200002 Publication Date 2016-03-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.843 Times cited 19 Open Access OpenAccess  
  Notes The authors acknowledge financial support from the European Research Council (ERC Starting Grant # 335078-COLOURATOMS) and the European Union under the FP7 (Integrated Infrastructure Initiative N. 312483 – ESTEEM2). The authors would also like to thank Luis M. Liz-Marzán, Ana Sánchez-Iglesias, Stefanos Mourdikoudis and Cristina Fernández-López for sample provision and useful discussions.; esteem2jra4; ECASSara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); Approved Most recent IF: 2.843  
  Call Number EMAT @ emat @ Serial 4019  
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Author Wang, A.; Turner, S.; Van Aert, S.; van Dyck, D. pdf  url
doi  openurl
  Title (up) An alternative approach to determine attainable resolution directly from HREM images Type A1 Journal article
  Year 2013 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 133 Issue Pages 50-61  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab  
  Abstract The concept of resolution in high-resolution electron microscopy (HREM) is the power to resolve neighboring atoms. Since the resolution is related to the width of the point spread function of the microscope, it could in principle be determined from the image of a point object. However, in electron microscopy there are no ideal point objects. The smallest object is an individual atom. If the width of an atom is much smaller than the resolution of the microscope, this atom can still be considered as a point object. As the resolution of the microscope enters the sub-Å regime, information about the microscope is strongly entangled with the information about the atoms in HREM images. Therefore, we need to find an alternative method to determine the resolution in an object-independent way. In this work we propose to use the image wave of a crystalline object in zone axis orientation. Under this condition, the atoms of a column act as small lenses so that the electron beam channels through the atom column periodically. Because of this focusing, the image wave of the column can be much more peaked than the constituting atoms and can thus be a much more sensitive probe to measure the resolution. Our approach is to use the peakiness of the image wave of the atom column to determine the resolution. We will show that the resolution can be directly linked to the total curvature of the atom column wave. Moreover, we can then directly obtain the resolution of the microscope given that the contribution from the object is known, which is related to the bounding energy of the atom. The method is applied on an experimental CaTiO3 image wave.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000324471800007 Publication Date 2013-05-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991; ISBN Additional Links UA library record; WoS full record  
  Impact Factor 2.843 Times cited Open Access  
  Notes FWO; Hercules; Esteem2; esteem2_jra2 Approved Most recent IF: 2.843; 2013 IF: 2.745  
  Call Number UA @ lucian @ c:irua:109919 Serial 90  
Permanent link to this record
 

 
Author Lawson, N.C.; Janyavula, S.; Çakir, D.; Burgess, J.O. pdf  doi
openurl 
  Title (up) An analysis of the physiologic parameters of intraoral wear: a review Type A1 Journal article
  Year 2013 Publication Journal Of Physics D-Applied Physics Abbreviated Journal J Phys D Appl Phys  
  Volume 46 Issue 40 Pages Unsp 404007  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract This paper reviews the conditions of in vivo mastication and describes a novel method of measuring in vitro wear. Methods: parameters of intraoral wear are reviewed in this analysis, including chewing force, tooth sliding distance, food abrasivity, saliva lubrication, and antagonist properties. Results: clinical measurement of mastication forces indicates a range of normal forces between 20 and 140 N for a single molar. During the sliding phase of mastication, horizontal movement has been measured between 0.9 and 2.86 mm. In vivo wear occurs by three-body abrasion when food particles are interposed between teeth and by two-body abrasion after food clearance. Analysis of food particles used in wear testing reveals that food particles are softer than enamel and large enough to separate enamel and restoration surfaces and act as a solid lubricant. In two-body wear, saliva acts as a boundary lubricant with a viscosity of 3 cP. Enamel is the most relevant antagonist material for wear testing. The shape of a palatal cusp has been estimated as a 0.6 mm diameter ball and the hardest region of a tooth is its enamel surface. pH values and temperatures have been shown to range between 2-7 and 5-55 degrees C in intraoral fluids, respectively. These intraoral parameters have been used to modify the Alabama wear testing method.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos Publication Date 2013-09-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited Open Access  
  Notes Approved Most recent IF: 2.588; 2013 IF: 2.521  
  Call Number UA @ lucian @ c:irua:128322 Serial 4585  
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Author Ren, P.; Zhang, T.; Jain, N.; Ching, H.Y.V.; Jaworski, A.; Barcaro, G.; Monti, S.; Silvestre-Albero, J.; Celorrio, V.; Chouhan, L.; Rokicinska, A.; Debroye, E.; Kustrowski, P.; Van Doorslaer, S.; Van Aert, S.; Bals, S.; Das, S. pdf  doi
openurl 
  Title (up) An atomically dispersed Mn-photocatalyst for generating hydrogen peroxide from seawater via the Water Oxidation Reaction (WOR) Type A1 Journal article
  Year 2023 Publication Journal of the American Chemical Society Abbreviated Journal  
  Volume 145 Issue 30 Pages 16584-16596  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Organic synthesis (ORSY); Theory and Spectroscopy of Molecules and Materials (TSM²)  
  Abstract In this work, we have fabricatedan aryl amino-substitutedgraphiticcarbon nitride (g-C3N4) catalyst with atomicallydispersed Mn capable of generating hydrogen peroxide (H2O2) directly from seawater. This new catalyst exhibitedexcellent reactivity, obtaining up to 2230 & mu;M H2O2 in 7 h from alkaline water and up to 1800 & mu;Mfrom seawater under identical conditions. More importantly, the catalystwas quickly recovered for subsequent reuse without appreciable lossin performance. Interestingly, unlike the usual two-electron oxygenreduction reaction pathway, the generation of H2O2 was through a less common two-electron water oxidation reaction(WOR) process in which both the direct and indirect WOR processesoccurred; namely, photoinduced h(+) directly oxidized H2O to H2O2 via a one-step 2e(-) WOR, and photoinduced h(+) first oxidized a hydroxide (OH-) ion to generate a hydroxy radical ((OH)-O-& BULL;), and H2O2 was formed indirectly by thecombination of two (OH)-O-& BULL;. We have characterized thematerial, at the catalytic sites, at the atomic level using electronparamagnetic resonance, X-ray absorption near edge structure, extendedX-ray absorption fine structure, high-resolution transmission electronmicroscopy, X-ray photoelectron spectroscopy, magic-angle spinningsolid-state NMR spectroscopy, and multiscale molecular modeling, combiningclassical reactive molecular dynamics simulations and quantum chemistrycalculations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001034983300001 Publication Date 2023-07-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0002-7863 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 15 Times cited 21 Open Access Not_Open_Access  
  Notes S.D. thanks the IOF grant and Francqui start up grant from the University of Antwerp, Belgium, for the financial support. P.R. thanks CSC and T.Z. thanks FWO for their financial assistance to finish this work. E.D. would like to thank the KU Leuven Research Fund for financial support through STG/21/010. J.S.A. acknowledges financial support from MCIN/AEI/10.13039/501100011033 and EU NextGeneration/PRTR (Project PCI2020-111968/3D-Photocat) and Diamond Synchrotron (rapid access proposal SP32609). This work was supported by the European Research Council (grant 770887-PICOMETRICS to S.V.A. and Grant 815128-REALNANO to S.B.). S.B. and S.V.A. acknowledge financial support from the Research Foundation Flanders (FWO, Belgium, project G.0346.21 N). We also thank Mr. Jian Zhu and Mr. Shahid Ullah Khan from the University of Antwerp, Belgium, for helpful discussions. Approved Most recent IF: 15; 2023 IF: 13.858  
  Call Number UA @ admin @ c:irua:198426 Serial 8831  
Permanent link to this record
 

 
Author Ghorbani, A.; Mousazadeh, H.; Taheri, F.; Ehteshammajd, S.; Azadi, H.; Yazdanpanah, M.; Khajehshahkohi, A.; Tanaskovik, V.; Van Passel, S. pdf  doi
openurl 
  Title (up) An attempt to develop ecotourism in an unknown area : the case of Nehbandan County, South Khorasan Province, Iran Type A1 Journal article
  Year 2021 Publication Environment, development and sustainability Abbreviated Journal  
  Volume 23 Issue 8 Pages 11792-11817  
  Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)  
  Abstract This study is an attempt to develop ecotourism in Nehbandan County, in the South Khorasan Province, Iran, by representing unknown areas that have tourism potential. The most important obstacle in the development of tourism industry is the lack of strong marketing plans, tourism management, accommodations for overnight and long stays, and medical and health clinic in the desert. This is a qualitative, exploratory case study investigating the status of environmental, sociocultural, and economic impacts of ecotourism development on the native people's livelihood in Nehbandan County in Iran. The methodology is based on field observations, secondary data sources, and field survey. It is an interpretive approach that avoids numbers but focuses on issues linked to culture and nature. In the present study, the grounded theory was used to perform data analysis. Based on the findings, ecotourism has undoubtedly proven to be an effective environmental conservation tool in the study site and enables local people to increase their livelihood security through employment in activities relating to ecotourism and the development of rural livelihood.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000604534700011 Publication Date 2021-01-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1387-585x ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:174994 Serial 6914  
Permanent link to this record
 

 
Author Zhong, R.; Peng, L.; de Clippel, F.; Gommes, C.; Goderis, B.; Ke, X.; Van Tendeloo, G.; Jacobs, P.A.; Sels, B.F. pdf  doi
openurl 
  Title (up) An eco-friendly soft template synthesis of mesostructured silica-carbon nanocomposites for acid catalysis Type A1 Journal article
  Year 2015 Publication ChemCatChem Abbreviated Journal Chemcatchem  
  Volume 7 Issue 7 Pages 3047-3058  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The synthesis of ordered mesoporous silica-carbon composites was explored by employing TEOS and sucrose as the silica and carbon precursor respectively, and the triblock copolymer F127 as a structure-directing agent via an evaporation-induced self-assembly (EISA) process. It is demonstrated that the synthesis procedures allow for control of the textural properties and final composition of these silica-carbon nanocomposites via adjustment of the effective SiO2/C weight ratio. Characterization by SAXS, N-2 physisorption, HRTEM, TGA, and C-13 and Si-29 solid-state MAS NMR show a 2D hexagonal mesostructure with uniform large pore size ranging from 5.2 to 7.6nm, comprising of separate carbon phases in a continuous silica phase. Ordered mesoporous silica and non-ordered porous carbon can be obtained by combustion of the pyrolyzed nanocomposites in air or etching with HF solution, respectively. Sulfonic acid groups can be readily introduced to such kind of silica-carbon nanocomposites by a standard sulfonation procedure with concentrated sulfuric acid. Excellent acid-catalytic activities and selectivities for the dimerization of styrene to produce 1,3-diphenyl-1-butene and dimerization of -methylstyrene to unsaturated dimers were demonstrated with the sulfonated materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000361189400037 Publication Date 2015-09-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1867-3880; 1867-3899 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.803 Times cited 13 Open Access  
  Notes Approved Most recent IF: 4.803; 2015 IF: 4.556  
  Call Number UA @ lucian @ c:irua:127836 Serial 4138  
Permanent link to this record
 

 
Author Palacios, J.J.; Peeters, F.M.; Baelus, B.J. doi  openurl
  Title (up) An effective lowest Landau level treatment of demagnetization in superconducting mesoscopic disks Type A1 Journal article
  Year 2001 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 64 Issue Pages 134514  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000171426700097 Publication Date 2002-07-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 4 Open Access  
  Notes Approved Most recent IF: 3.836; 2001 IF: NA  
  Call Number UA @ lucian @ c:irua:37283 Serial 852  
Permanent link to this record
 

 
Author Neira, I.S.; Kolen'ko, Y.V.; Lebedev, O.I.; Van Tendeloo, G.; Gupta, H.S.; Guitián, F.; Yoshimura, M. pdf  doi
openurl 
  Title (up) An effective morphology control of hydroxyapatite crystals via hydrothermal synthesis Type A1 Journal article
  Year 2009 Publication Crystal growth & design Abbreviated Journal Cryst Growth Des  
  Volume 9 Issue 1 Pages 466-474  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A facile urea-assisted hydrothermal synthesis and systematic characterization of hydroxyapatite (HA) with calcium nitrate tetrahydrate and diammonium hydrogen phosphate as precursors are reported. The advantage of the proposed technique over previously reported synthetic approaches is the simple but precise control of the HA crystals morphology, which is achieved by employing an intensive, stepwise, and slow thermal decomposition of urea as well as varying initial concentrations of starting reagents. Whereas the plate-, hexagonal prism- and needle-like HA particles preferentially growth along the c-axis, the smaller and fine-plate-like HA crystals demonstrate crystal growth along the (102) and (211) directions, uncommon for HA. Furthermore, it was established that the hydrothermally derived powdered products are phase-pure HA containing CO32− anions in the crystal lattice, that is, AB-type carbonated hydroxyapatite. Transmission electron microscopy (TEM) and electron diffraction (ED) of selected samples reveal that the as-prepared HA crystals are single-crystalline and exhibit a nearly defect-free microstructure. The hardness and elastic modulus of the hexagonal prism-like HA crystals have been investigated on a nanoscale using the nanoindentation technique; the observed trends are discussed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000262332700073 Publication Date 2008-11-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1528-7483;1528-7505; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.055 Times cited 183 Open Access  
  Notes Esteem 026019 Approved Most recent IF: 4.055; 2009 IF: 4.162  
  Call Number UA @ lucian @ c:irua:75740 Serial 853  
Permanent link to this record
 

 
Author Arsoski, V.V.; Čukarić, N.A.; Tadic, M.Z.; Peeters, F.M. pdf  url
doi  openurl
  Title (up) An efficient finite-difference scheme for computation of electron states in free-standing and core-shell quantum wires Type A1 Journal article
  Year 2015 Publication Computer physics communications Abbreviated Journal Comput Phys Commun  
  Volume 197 Issue 197 Pages 17-26  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The electron states in axially symmetric quantum wires are computed by means of the effective-mass Schrodinger equation, which is written in cylindrical coordinates phi, rho, and z. We show that a direct discretization of the Schrodinger equation by central finite differences leads to a non-symmetric Hamiltonian matrix. Because diagonalization of such matrices is more complex it is advantageous to transform it in a symmetric form. This can be done by the Liouville-like transformation proposed by Rizea et al. (2008), which replaces the wave function psi(rho) with the function F(rho) = psi(rho)root rho and transforms the Hamiltonian accordingly. Even though a symmetric Hamiltonian matrix is produced by this procedure, the computed wave functions are found to be inaccurate near the origin, and the accuracy of the energy levels is not very high. In order to improve on this, we devised a finite-difference scheme which discretizes the Schrodinger equation in the first step, and then applies the Liouville-like transformation to the difference equation. Such a procedure gives a symmetric Hamiltonian matrix, resulting in an accuracy comparable to the one obtained with the finite element method. The superior efficiency of the new finite-difference scheme (FDM) is demonstrated for a few p-dependent one-dimensional potentials which are usually employed to model the electron states in free-standing and core shell quantum wires. The new scheme is compared with the other FDM schemes for solving the effective-mass Schrodinger equation, and is found to deliver energy levels with much smaller numerical error for all the analyzed potentials. It also gives more accurate results than the scheme of Rizea et al., except for the ground state of an infinite rectangular potential in freestanding quantum wires. Moreover, the PT symmetry is invoked to explain similarities and differences between the considered FDM schemes. (C) 2015 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000362919500003 Publication Date 2015-08-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0010-4655 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.936 Times cited 4 Open Access  
  Notes ; This work was supported by the Ministry of Education, Science, and Technological Development of Serbia (project III 45003) and the Fonds Wetenschappelijk Onderzoek (Belgium). ; Approved Most recent IF: 3.936; 2015 IF: 3.112  
  Call Number UA @ lucian @ c:irua:129412 Serial 4139  
Permanent link to this record
 

 
Author Croitoru, M.D.; van Dyck, D.; Van Aert, S.; Bals, S.; Verbeeck, J. pdf  doi
openurl 
  Title (up) An efficient way of including thermal diffuse scattering in simulation of scanning transmission electron microscopic images Type A1 Journal article
  Year 2006 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 106 Issue 10 Pages 933-940  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Vision lab  
  Abstract We propose an improved image simulation procedure for atomic-resolution annular dark-field scanning transmission electron microscopy (STEM) based on the multislice formulation, which takes thermal diffuse scattering fully into account. The improvement with regard to the classical frozen phonon approach is realized by separating the lattice configuration statistics from the dynamical scattering so as to avoid repetitive calculations. As an example, the influence of phonon scattering on the image contrast is calculated and investigated. STEM image simulation of crystals can be applied with reasonable computing times to problems involving a large number of atoms and thick or large supercells.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000240397200006 Publication Date 2006-05-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.843 Times cited 18 Open Access  
  Notes Fwo; Fwo-V Approved Most recent IF: 2.843; 2006 IF: 1.706  
  Call Number UA @ lucian @ c:irua:87604UA @ admin @ c:irua:87604 Serial 876  
Permanent link to this record
 

 
Author Houssa, M.; van den Broek, B.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. pdf  doi
openurl 
  Title (up) An electric field tunable energy band gap at silicene/(0001) ZnS interfaces Type A1 Journal article
  Year 2013 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys  
  Volume 15 Issue 11 Pages 3702-3705  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The interaction of silicene, the silicon counterpart of graphene, with (0001) ZnS surfaces is investigated theoretically, using first-principles simulations. The charge transfer occurring at the silicene/(0001) ZnS interface leads to the opening of an indirect energy band gap of about 0.7 eV in silicene. Remarkably, the nature (indirect or direct) and magnitude of the energy band gap of silicene can be controlled by an external electric field: the energy gap is predicted to become direct for electric fields larger than about 0.5 V angstrom(-1), and the direct energy gap decreases approximately linearly with the applied electric field. The predicted electric field tunable energy band gap of the silicene/(0001) ZnS interface is very promising for its potential use in nanoelectronic devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000315165100002 Publication Date 2013-01-29  
  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 74 Open Access  
  Notes Approved Most recent IF: 4.123; 2013 IF: 4.198  
  Call Number UA @ lucian @ c:irua:107702 Serial 94  
Permanent link to this record
 

 
Author Pilehvar, S.; Dierckx, T.; Blust, R.; Breugelmans, T.; De Wael, K. url  doi
openurl 
  Title (up) An electrochemical impedimetric aptasensing platform for sensitive and selective detection of small molecules such as chloramphenicol Type A1 Journal article
  Year 2014 Publication Sensors Abbreviated Journal Sensors-Basel  
  Volume 14 Issue 7 Pages 12059-12069  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Applied Electrochemistry & Catalysis (ELCAT)  
  Abstract We report on the aptadetection of chloramphenicol (CAP) using electrochemical impedance spectroscopy. The detection principle is based on the changes of the interfacial properties of the electrode after the interaction of the ssDNA aptamers with the target molecules. The electrode surface is partially blocked due to the formation of the aptamer-CAP complex, resulting in an increase of the interfacial electron-transfer resistance of the redox probe detected by electrochemical impedance spectroscopy or cyclic voltammetry. We observed that the ratio of polarization resistance had a linear relationship with the concentrations of CAP in the range of 1.76127 nM, and a detection limit of 1.76 nM was obtained. The covalent binding of CAP-aptamer on the electrode surface combined with the unique properties of aptamers and impedimetric transduction leads to the development of a stable and sensitive electrochemical aptasensor for CAP.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000340035700041 Publication Date 2014-07-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1424-8220 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.677 Times cited 34 Open Access  
  Notes ; We are thankful to UA-DOCPRO and UA-BOFACA for financial support. ; Approved Most recent IF: 2.677; 2014 IF: 2.245  
  Call Number UA @ admin @ c:irua:117845 Serial 5592  
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