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Author De Paepe, J.; Lindeboom, R.E.F.; Vanoppen, M.; De Paepe, K.; Demey, D.; Coessens, W.; Lamaze, B.; Verliefde, A.R.D.; Clauwaert, P.; Vlaeminck, S.E.
  Title Refinery and concentration of nutrients from urine with electrodialysis enabled by upstream precipitation and nitrification Type A1 Journal article
  Year 2018 Publication Water research Abbreviated Journal
  Volume (down) 144 Issue Pages 76-86
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Human urine is a valuable resource for nutrient recovery, given its high levels of nitrogen, phosphorus and potassium, but the compositional complexity of urine presents a challenge for an energy-efficient concentration and refinery of nutrients. In this study, a pilot installation combining precipitation, nitrification and electrodialysis (ED), designed for one person equivalent (1.2 L-urine d(-l)), was continuously operated for similar to 7 months. First, NaOH addition yielded calcium and magnesium precipitation, preventing scaling in ED. Second, a moving bed biofilm reactor oxidized organics, preventing downstream biofouling, and yielded complete nitrification on diluted urine (20-40%, i.e. dilution factors 5 and 2.5) at an average loading rate of 215 mg N L-1 d(-1). Batch tests demonstrated the halotolerance of the nitrifying community, with nitrification rates not affected up to an electrical conductivity of 40 mS cm(-1) and gradually decreasing, yet ongoing, activity up to 96 mS cm(-1) at 18% of the maximum rate. Next-generation 16S rRNA gene amplicon sequencing revealed that switching from a synthetic influent to real urine induced a profound shift in microbial community and that the AOB community was dominated by halophilic species closely related to Nitrosomonas aestuarii and Nitrosomonas marina. Third, nitrate, phosphate and potassium in the filtered (0.1 mu m) bioreactor effluent were concentrated by factors 43, 2.6 and 4.6, respectively, with ED. Doubling the urine concentration from 20% to 40% further increased the ED recovery efficiency by similar to 10%. Batch experiments at pH 6, 7 and 8 indicated a more efficient phosphate transport to the concentrate at pH 7. The newly proposed three-stage strategy opens up opportunities for energy- and chemical-efficient nutrient recovery from urine. Precipitation and nitrification enabled the long-term continuous operation of ED on fresh urine requiring minimal maintenance, which has, to the best of our knowledge, never been achieved before. (C) 2018 Elsevier Ltd. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000447569300008 Publication Date 2018-07-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0043-1354; 1879-2448 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:152907 Serial 8468
Permanent link to this record
 

 
Author Mobaraki, A.; Kandemir, A.; Yapicioglu, H.; Gulseren, O.; Sevik, C.
  Title Validation of inter-atomic potential for WS2 and WSe2 crystals through assessment of thermal transport properties Type A1 Journal article
  Year 2018 Publication Computational materials science Abbreviated Journal
  Volume (down) 144 Issue Pages 92-98
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract In recent years, transition metal dichalcogenides (TMDs) displaying astonishing properties are emerged as a new class of two-dimensional layered materials. The understanding and characterization of thermal transport in these materials are crucial for efficient engineering of 2D TMD materials for applications such as thermoelectric devices or overcoming general overheating issues. In this work, we obtain accurate Stillinger-Weber type empirical potential parameter sets for single-layer WS2 and WSe2 crystals by utilizing particle swarm optimization, a stochastic search algorithm. For both systems, our results are quite consistent with first-principles calculations in terms of bond distances, lattice parameters, elastic constants and vibrational properties. Using the generated potentials, we investigate the effect of temperature on phonon energies and phonon linewidth by employing spectral energy density analysis. We compare the calculated frequency shift with respect to temperature with corresponding experimental data, clearly demonstrating the accuracy of the generated inter-atomic potentials in this study. Also, we evaluate the lattice thermal conductivities of these materials by means of classical molecular dynamics simulations. The predicted thermal properties are in very good agreement with the ones calculated from first-principles. (C) 2017 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000424902300013 Publication Date 2017-12-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0927-0256 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:193774 Serial 8729
Permanent link to this record
 

 
Author Goessens, C.; Schryvers, D.; van Dyck, D.; van Landuyt, J.; de Keyzer, R.
  Title Electron-diffraction evidence for ordering of interstitial silver ions in silver bromide microcrystals Type A1 Journal article
  Year 1994 Publication Physica status solidi: A Abbreviated Journal
  Volume (down) 143 Issue 2 Pages 277-287
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
  Abstract The occurrence and origin of diffuse intensity contours in electron micrographs of AgBr crystals are investigated. The observations are interpreted in terms of a model, which attributes diffuse scattering to the presence of predominant atom or vacancy clusters of a particular polyhedral type. It is shown that irrespective of the crystal morphology, interstitial Ag ions order in AgBr material in clusters of finite size along 001 type planes. A different geometry of the diffuse intensity locus observed for triangular and hexagonal tabular grains is explained in terms of the different twin plane morphology of these grains.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Berlin Editor
  Language Wos A1994NW15300010 Publication Date 2007-01-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-8965;1521-396X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 7 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:99870 Serial 919
Permanent link to this record
 

 
Author Imran, M.; Peng, L.; Pianetti, A.; Pinchetti, V.; Ramade, J.; Zito, J.; Di Stasio, F.; Buha, J.; Toso, S.; Song, J.; Infante, I.; Bals, S.; Brovelli, S.; Manna, L.
  Title Halide perovskite-lead chalcohalide nanocrystal heterostructures Type A1 Journal article
  Year 2021 Publication Journal Of The American Chemical Society Abbreviated Journal J Am Chem Soc
  Volume (down) 143 Issue 3 Pages 1435-1446
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract We report the synthesis of colloidal CsPbX3-Pb4S3Br2 (X = Cl, Br, I) nanocrystal heterostructures, providing an example of a sharp and atomically resolved epitaxial interface between a metal halide perovskite and a non-perovskite lattice. The CsPbBr3-Pb4S3Br2 nanocrystals are prepared by a two-step direct synthesis using preformed subnanometer CsPbBr3 clusters. Density functional theory calculations indicate the creation of a quasi-type II alignment at the heterointerface as well as the formation of localized trap states, promoting ultrafast separation of photogenerated excitons and carrier trapping, as confirmed by spectroscopic experiments. Postsynthesis reaction with either Cl- or I- ions delivers the corresponding CsPbCI3-Pb4S3Br2 and CsPbI3-Pb4S3Br2 heterostructures, thus enabling anion exchange only in the perovskite domain. An increased structural rigidity is conferred to the perovskite lattice when it is interfaced with the chalcohalide lattice. This is attested by the improved stability of the metastable gamma phase (or “black” phase) of CsPbI3 in the CsPbI3-Pb4S3Br2 heterostructure.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000614064400024 Publication Date 2021-01-15
  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 13.858 Times cited 54 Open Access OpenAccess
  Notes This work was performed on the Dutch national e-infrastructure with the support of SURF Cooperative. L.P. and J.S. are thankful for the support by the National Key R&D Program of China (2018YFC0910600) and the National Natural Science Foundation of China (61775145). F.D.S. and S.B. acknowledge support by the European Research Council via the ERC-StG “NANOLED” (851794) and the ERC-Cog “REALNANO” (815128). The authors acknowledge financial support from the European Commission under the Horizon 2020 Programme through Grant Agreement No. 731019 (EUSMI). S.B., A.P., and V.P. gratefully acknowledge the financial support from the Italian Ministry of University and Research (MIUR) through grant “Dipartimenti di Eccellenza2017 Materials For Energy”.; sygma Approved Most recent IF: 13.858
  Call Number UA @ admin @ c:irua:176584 Serial 6726
Permanent link to this record
 

 
Author Bhaskar, G.; Gvozdetskyi, V.; Batuk, M.; Wiaderek, K.M.; Sun, Y.; Wang, R.; Zhang, C.; Carnahan, S.L.; Wu, X.; Ribeiro, R.A.; Bud'ko, S.L.; Canfield, P.C.; Huang, W.; Rossini, A.J.; Wang, C.-Z.; Ho, K.-M.; Hadermann, J.; Zaikina, J., V
  Title Topochemical deintercalation of Li from layered LiNiB : toward 2D MBene Type A1 Journal article
  Year 2021 Publication Journal Of The American Chemical Society Abbreviated Journal J Am Chem Soc
  Volume (down) 143 Issue 11 Pages 4213-4223
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The pursuit of two-dimensional (2D) borides, MBenes, has proven to be challenging, not the least because of the lack of a suitable precursor prone to the deintercalation. Here, we studied room-temperature topochemical deintercalation of lithium from the layered polymorphs of the LiNiB compound with a considerable amount of Li stored in between [NiB] layers (33 at. % Li). Deintercalation of Li leads to novel metastable borides (Li similar to 0.5NiB) with unique crystal structures. Partial removal of Li is accomplished by exposing the parent phases to air, water, or dilute HCl under ambient conditions. Scanning transmission electron microscopy and solid-state Li-7 and B-1(1) NMR spectroscopy, combined with X-ray pair distribution function (PDF) analysis and DFT calculations, were utilized to elucidate the novel structures of (Li similar to 0.5NiB) and the mechanism of Li-deintercalation. We have shown that the deintercalation of Li proceeds via a “zip-lock” mechanism, leading to the condensation of single [NiB] layers into double or triple layers bound via covalent bonds, resulting in structural fragments with Li[NiB](2) and Li[NiB](3) compositions. The crystal structure of Li similar to 0.5NiB is best described as an intergrowth of the ordered single [NiB], double [NiB](2), or triple [NiB](3) layers alternating with single Li layers; this explains its structural complexity. The formation of double or triple [NiB] layers induces a change in the magnetic behavior from temperature-independent paramagnets in the parent LiNiB compounds to the spin-glassiness in the deintercalated Li similar to 0.5NiB counterparts. LiNiB compounds showcase the potential to access a plethora of unique materials, including 2D MBenes (NiB).
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000634761500021 Publication Date 2021-03-15
  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 13.858 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 13.858
  Call Number UA @ admin @ c:irua:177697 Serial 6790
Permanent link to this record
 

 
Author Gonzalez-Nelson, A.; Mula, S.; Simenas, M.; Balciunas, S.; Altenhof, A.R.; Vojvodin, C.S.; Canossa, S.; Banys, J.; Schurko, R.W.; Coudert, F.-X.; van der Veen, M.A.
  Title Emergence of coupled rotor dynamics in metal-organic frameworks via tuned steric interactions Type A1 Journal article
  Year 2021 Publication Journal Of The American Chemical Society Abbreviated Journal J Am Chem Soc
  Volume (down) 143 Issue 31 Pages 12053-12062
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The organic components in metal-organic frameworks (MOFs) are unique: they are embedded in a crystalline lattice, yet, as they are separated from each other by tunable free space, a large variety of dynamic behavior can emerge. These rotational dynamics of the organic linkers are especially important due to their influence over properties such as gas adsorption and kinetics of guest release. To fully exploit linker rotation, such as in the form of molecular machines, it is necessary to engineer correlated linker dynamics to achieve their cooperative functional motion. Here, we show that for MIL-53, a topology with closely spaced rotors, the phenylene functionalization allows researchers to tune the rotors' steric environment, shifting linker rotation from completely static to rapid motions at frequencies above 100 MHz. For steric interactions that start to inhibit independent rotor motion, we identify for the first time the emergence of coupled rotation modes in linker dynamics. These findings pave the way for function-specific engineering of gear-like cooperative motion in MOFs.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000684581100022 Publication Date 2021-07-29
  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 13.858 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 13.858
  Call Number UA @ admin @ c:irua:180504 Serial 6867
Permanent link to this record
 

 
Author Srivastava, A.; Van Passel, S.; Valkering, P.; Laes, E.J.W.
  Title Power outages and bill savings : a choice experiment on residential demand response acceptability in Delhi Type A1 Journal article
  Year 2021 Publication Renewable & Sustainable Energy Reviews Abbreviated Journal Renew Sust Energ Rev
  Volume (down) 143 Issue Pages 110904
  Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
  Abstract This paper conducts a discrete choice experiment among 167 households in the Delhi region in India, to study the acceptability of demand response (DR) programs among upper-income households. Attributes include rate types, rate bands, reductions in power outages, and expected monthly savings. Results indicate a preference for time-of-use pricing over real-time pricing, and a preference for three rate slabs per day over two. Respondents prioritize reductions in power outages and minimizing potential expenses, reflecting the financial sensitivity and energy poverty relative to other countries. Respondents' ages and incomes further affect the value that they attach to reductions in power outages. The paper proposes various structures of DR programs that could achieve high predicted enrollment and concludes by estimating the potential benefits of implementing such programs. Overall, the analysis indicates that a DR program could be feasible in a developing country context, particularly if it is designed keeping in mind local socio-economic considerations. This may be supported through further confirmatory research.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000637710200016 Publication Date 2021-03-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1364-0321; 1879-0690 ISBN Additional Links UA library record; WoS full record
  Impact Factor 8.05 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 8.05
  Call Number UA @ admin @ c:irua:178188 Serial 6938
Permanent link to this record
 

 
Author Shi, X.; Ronsse, F.; Roegiers, J.; Pieters, J.G.
  Title 3D Eulerian-Eulerian modeling of a screw reactor for biomass thermochemical conversion. Part 1: solids flow dynamics and back-mixing Type A1 Journal article
  Year 2019 Publication Renewable energy Abbreviated Journal
  Volume (down) 143 Issue Pages 1465-1476
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Three-dimensional (3D) computational fluid dynamics (CFD) simulations were performed to study solids flow dynamics and solids back-mixing behavior in a screw reactor (designed for thermal conversion of dry biomass particles) based on the Eulerian-Eulerian method. Simulation results were compared against experimental data with respect to filling degree and mean residence time of particles. The mean deviations for filling degree and for mean residence time between simulation and experiment were about 0.01 and 11.4 s, respectively, which shows that the model is reasonably accurate in predicting solids flow behavior in the screw reactor. The solids flow dynamics inside the reactor were discussed. The solids residence time distribution (RTD) was calculated and the degree of solids back-mixing in the forward transportation direction of the reactor was analyzed. It was found that solids being flung over the shaft and solids back-leakage, resulting from the low solids forward transportation velocity at the clearance between the flight and the bottom shell of the screw reactor, were responsible for solids back-mixing. The degree of solids back-mixing can be reduced at higher screw rotating speeds when keeping inlet mass flow rate of solids constant. (C) 2019 Elsevier Ltd. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000482686100039 Publication Date 2019-05-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0960-1481 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:162757 Serial 7384
Permanent link to this record
 

 
Author Van Grieken, R.
  Title Preconcentration methods for the analysis of water by X-ray spectrometric techniques Type A1 Journal article
  Year 1982 Publication Analytica chimica acta Abbreviated Journal
  Volume (down) 143 Issue Pages 3-34
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract All published procedures for multi-element preconcentration of trace elements, prior to x-ray fluorescence analysis of water, are reviewed and critically evaluated. Most preconcentration methods applied to the determination of single elements in water are also listed.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos A1982PT27300002 Publication Date 2002-10-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-2670; 1873-4324 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:116441 Serial 8401
Permanent link to this record
 

 
Author Zhang, Q.; Vlaeminck, S.E.; DeBarbadillo, C.; Su, C.; Al-Omari, A.; Wett, B.; Pümpel, T.; Shaw, A.; Chandran, K.; Murthy, S.; De Clippeleir, H.
  Title Supernatant organics from anaerobic digestion after thermal hydrolysis cause direct and/or diffusional activity loss for nitritation and anammox Type A1 Journal article
  Year 2018 Publication Water research Abbreviated Journal
  Volume (down) 143 Issue Pages 270-281
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Treatment of sewage sludge with a thermal hydrolysis process (THP) followed by anaerobic digestion (AD) enables to boost biogas production and minimize residual sludge volumes. However, the reject water can cause inhibition to aerobic and anoxic ammonium-oxidizing bacteria (AerAOB & AnAOB), the two key microbial groups involved in the deammonification process. Firstly, a detailed investigation elucidated the impact of different organic fractions present in THP-AD return liquor on AerAOB and AnAOB activity. For AnAOB, soluble compounds linked to THP conditions and AD performance caused the main inhibition. Direct inhibition by dissolved organics was also observed for AerAOB, but could be overcome by treating the filtrate with extended aerobic or anaerobic incubation or with activated carbon. AerAOB additionally suffered from particulate and colloidal organics limiting the diffusion of substrates. This was resolved by improving the dewatering process through an optimized flocculant polymer dose and/or addition of coagulant polymer to better capture the large colloidal fraction, especially in case of unstable AD performance. Secondly, a new inhibition model for AerAOB included diffusion-limiting compounds based on the porter-equation, and achieved the best fit with the experimental data, highlighting that AerAOB were highly sensitive to large colloids. Overall, this paper for the first time provides separate identification of organic fractions within THP-AD filtrate causing differential types of inhibition. Moreover, it highlights the combined effect of the performance of THP, AD and dewatering on the downstream autotrophic nitrogen removal kinetics. (C) 2018 Elsevier Ltd. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000443664000027 Publication Date 2018-06-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0043-1354; 1879-2448 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:152911 Serial 8623
Permanent link to this record
 

 
Author Abakumov, A.M.; Hadermann, J.; Van Tendeloo, G.; Shpanchenko, R.V.; Oleinikov, P.N.; Antipov, E.V.
  Title Anion ordering in fluorinated La2CuO4 Type A1 Journal article
  Year 1999 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume (down) 142 Issue Pages 311-322
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000078597400024 Publication Date 2002-10-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 20 Open Access
  Notes Approved Most recent IF: 2.299; 1999 IF: 1.547
  Call Number UA @ lucian @ c:irua:29277 Serial 121
Permanent link to this record
 

 
Author Jalkanen, P.; Tuboltsev, V.; Virtanen, A.; Arutyunov, K.; Räisänen, J.; Lebedev, O.; Van Tendeloo, G.
  Title Critical temperature modification of low dimensional superconductors by spin doping Type A1 Journal article
  Year 2007 Publication Solid state communications Abbreviated Journal Solid State Commun
  Volume (down) 142 Issue 7 Pages 407-411
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000246815800010 Publication Date 2007-03-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0038-1098; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.554 Times cited 7 Open Access
  Notes Approved Most recent IF: 1.554; 2007 IF: 1.535
  Call Number UA @ lucian @ c:irua:64746 Serial 546
Permanent link to this record
 

 
Author Euan-Diaz, E.; Herrera-Velarde, S.; Misko, V.R.; Peeters, F.M.; Castaneda-Priego, R.
  Title Structural transitions and long-time self-diffusion of interacting colloids confined by a parabolic potential Type A1 Journal article
  Year 2015 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
  Volume (down) 142 Issue 142 Pages 024902
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We report on the ordering and dynamics of interacting colloidal particles confined by a parabolic potential. By means of Brownian dynamics simulations, we find that by varying the magnitude of the trap stiffness, it is possible to control the dimension of the system and, thus, explore both the structural transitions and the long-time self-diffusion coefficient as a function of the degree of confinement. We particularly study the structural ordering in the directions perpendicular and parallel to the confinement. Further analysis of the local distribution of the first-neighbors layer allows us to identify the different structural phases induced by the parabolic potential. These results are summarized in a structural state diagram that describes the way in which the colloidal suspension undergoes a structural re-ordering while increasing the confinement. To fully understand the particle dynamics, we take into account hydrodynamic interactions between colloids; the parabolic potential constricts the available space for the colloids, but it does not act on the solvent. Our findings show a non-linear behavior of the long-time self-diffusion coefficient that is associated to the structural transitions induced by the external field. (C) 2015 AIP Publishing LLC.
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000348129700053 Publication Date 2015-01-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-9606;1089-7690; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.965 Times cited 7 Open Access
  Notes ; This work was partially supported by the “Odysseus” Program of the Flemish Government, the Flemish Science Foundation (FWO-Vl), PIFI 3.4 – PROMEP, and CONACyT (Grant Nos. 61418/2007, 102339/2008, Ph.D. scholarship 230171/2010). R.C.-P. also acknowledges financial support provided by the Marcos Moshinsky fellowship 2013-2014. The authors also thank to the General Coordination of Information and Communications Technologies (CGSTIC) at Cinvestav for providing HPC resources on the Hybrid Cluster Super-computer Xiuhcoatl, which have contributed partially to the research results reported in this paper. ; Approved Most recent IF: 2.965; 2015 IF: 2.952
  Call Number c:irua:123832 Serial 3267
Permanent link to this record
 

 
Author Radi, A.; Khalil-Allafi, J.; Etminanfar, M.R.; Pourbabak, S.; Schryvers, D.; Amin-Ahmadi, B.
  Title Influence of stress aging process on variants of nano-N4Ti3precipitates and martensitic transformation temperatures in NiTi shape memory alloy Type A1 Journal article
  Year 2018 Publication Materials & design Abbreviated Journal Mater Design
  Volume (down) 262 Issue 262 Pages 74-81
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract In this study, the effect of a stress aging process on the microstructure and martensitic phase transformation of NiTi shape memory alloy has been investigated. NiTi samples were aged at 450 degrees C for 1 h and 5 h under different levels of external tensile stress of 15, 60 and 150 MPa. Transmission electron microscopy (TEM) was used to characterize different variants and morphology of precipitates. The results show that application of all stress levels restricts the formation of precipitates variants in the microstructure after I h stress aging process. However, all variants can be detected by prolonging aging time to 5 h at 15 MPa stress level and the variants formation is again restricted by increasing the stress level. Moreover, the stress aging process resulted in changing the shape of precipitates in comparison with that of the stress-free aged samples. Coffee-bean shaped morphologies were detected for precipitates in all stress levels. According to the Differential Scanning Calorimetry (DSC) results, the martensite start temperature (M-s) on cooling shifts to higher temperatures with increasing the tensile stress during the aging process. This can be related to the change ofaustenite to martensite interface energy due to the different volume fractions and variants of precipitates. (c) 2018 Elsevier Ltd. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date 2018-01-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0264-1275 ISBN Additional Links UA library record; ; WoS full record; WoS citing articles
  Impact Factor 4.364 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 4.364
  Call Number UA @ lucian @ c:irua:149854 Serial 4938
Permanent link to this record
 

 
Author Bottari, F.; Daems, E.; de Vries, A.-M.; Van Wielendaele, P.; Trashin, S.; Blust, R.; Sobott, F.; Madder, A.; Martins, J.C.; De Wael, K.
  Title Do aptamers always bind? The need for a multifaceted analytical approach when demonstrating binding affinity between aptamer and low molecular weight compounds Type A1 Journal article
  Year 2020 Publication Journal Of The American Chemical Society Abbreviated Journal J Am Chem Soc
  Volume (down) 142 Issue 46 Pages jacs.0c08691-19630
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Medical Biochemistry
  Abstract In this manuscript, we compare different analytical methodologies to validate or disprove the binding capabilities of aptamer sequences. This was prompted by the lack of a universally accepted and robust quality control protocol for the characterization of aptamer performances coupled with the observation of independent yet inconsistent data sets in the literature. As an example, we chose three aptamers with a reported affinity in the nanomolar range for ampicillin, a β-lactam antibiotic, used as biorecognition elements in several detection strategies described in the literature. Application of a well-known colorimetric assay based on aggregation of gold nanoparticles (AuNPs) yielded conflicting results with respect to the original report. Therefore, ampicillin binding was evaluated in solution using isothermal titration calorimetry (ITC), native nano-electrospray ionization mass spectrometry (native nESI-MS), and 1H-nuclear magnetic resonance spectroscopy (1H NMR). By coupling the thermodynamic data obtained with ITC with the structural information on the binding event given by native nESI-MS and 1H NMR we could verify that none of the ampicillin aptamers show any specific binding with their intended target. The effect of AuNPs on the binding event was studied by both ITC and 1H NMR, again without providing positive evidence of ampicillin binding. To validate the performance of our analytical approach, we investigated two well-characterized aptamers for cocaine/quinine (MN4), chosen for its nanomolar range affinity, and l-argininamide (1OLD) to show the versatility of our approach. The results clearly indicate the need for a multifaceted analytical approach, to unequivocally establish the actual detection potential and performance of aptamers aimed at small organic molecules.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000592911000024 Publication Date 2020-11-09
  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 Open Access
  Notes Approved Most recent IF: 15; 2020 IF: 13.858
  Call Number UA @ admin @ c:irua:173136 Serial 6488
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Author Toso, S.; Akkerman, Q.A.; Martin-Garcia, B.; Prato, M.; Zito, J.; Infante, I.; Dang, Z.; Moliterni, A.; Giannini, C.; Bladt, E.; Lobato, I.; Ramade, J.; Bals, S.; Buha, J.; Spirito, D.; Mugnaioli, E.; Gemmi, M.; Manna, L.
  Title Nanocrystals of lead chalcohalides : a series of kinetically trapped metastable nanostructures Type A1 Journal article
  Year 2020 Publication Journal Of The American Chemical Society Abbreviated Journal J Am Chem Soc
  Volume (down) 142 Issue 22 Pages 10198-10211
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract We report the colloidal synthesis of a series of surfactant-stabilized lead chalcohalide nanocrystals. Our work is mainly focused on Pb4S3Br2, a chalcohalide phase unknown to date that does not belong to the ambient-pressure PbS-PbBr2 phase diagram. The Pb4S3Br2 nanocrystals herein feature a remarkably narrow size distribution (with a size dispersion as low as 5%), a good size tunability (from 7 to similar to 30 nm), an indirect bandgap, photoconductivity (responsivity = 4 +/- 1 mA/W), and stability for months in air. A crystal structure is proposed for this new material by combining the information from 3D electron diffraction and electron tomography of a single nanocrystal, X-ray powder diffraction, and density functional theory calculations. Such a structure is closely related to that of the recently discovered high-pressure chalcohalide Pb4S3I2 phase, and indeed we were able to extend our synthesis scheme to Pb4S3I2 colloidal nanocrystals, whose structure matches the one that has been published for the bulk. Finally, we could also prepare nanocrystals of Pb3S2Cl2, which proved to be a structural analogue of the recently reported bulk Pb3Se2Br2 phase. It is remarkable that one high-pressure structure (for Pb4S3I2) and two metastable structures that had not yet been reported (for Pb4S3Br2 and Pb3S2Cl2) can be prepared on the nanoscale by wet-chemical approaches. This highlights the important role of colloidal chemistry in the discovery of new materials and motivates further exploration into metal chalcohalide nanocrystals.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000538526500035 Publication Date 2020-05-06
  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 32 Open Access OpenAccess
  Notes ; We would like to thank Dr. A. Toma for the access to the IIT clean room facilities' SEM/FIB and evaporators, the Smart Materials group (IIT) for the access to the ATR-FTIR equipment, S. Marras for the support during XRPD measurements, G. Pugliese for help with the TGA measurements, M. Campolucci for help with the experiments on NC growth kinetics, S. Lauciello for help with the SEM-EDX analyses, and D. Baranov and R. Brescia for the helpful discussions. We also acknowledge funding from the Programme for Research and Innovation Horizon 2020 (2014-2020) under the Marie Sklodowska-Curie Grant Agreement COMPASS No. 691185. I.I. acknowledges the Dutch NWO for financial support under the Vidi scheme (Grant No. 723.013.002). S.B. acknowledges support by means of the ERC Consolidator Grant No. 815128 REALNANO. E. M. and M.G acknowledge the Regione Toscana for funding the purchase of the Timepix detector through the FELIX project (Por CREO FESR 2014-2020 action). ; sygma Approved Most recent IF: 15; 2020 IF: 13.858
  Call Number UA @ admin @ c:irua:170218 Serial 6566
Permanent link to this record
 

 
Author Han, Y.; Zeng, Y.; Hendrickx, M.; Hadermann, J.; Stephens, P.W.; Zhu, C.; Grams, C.P.; Hemberger, J.; Frank, C.; Li, S.; Wu, M.X.; Retuerto, M.; Croft, M.; Walker, D.; Yao, D.-X.; Greenblatt, M.; Li, M.-R.
  Title Universal a-cation splitting in LiNbO₃-type structure driven by intrapositional multivalent coupling Type A1 Journal article
  Year 2020 Publication Journal Of The American Chemical Society Abbreviated Journal J Am Chem Soc
  Volume (down) 142 Issue 15 Pages 7168-7178
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Understanding the electric dipole switching in multiferroic materials requires deep insight of the atomic-scale local structure evolution to reveal the ferroelectric mechanism, which remains unclear and lacks a solid experimental indicator in high-pressure prepared LiNbO3-type polar magnets. Here, we report the discovery of Zn-ion splitting in LiNbO3-type Zn2FeNbO6 established by multiple diffraction techniques. The coexistence of a high-temperature paraelectric-like phase in the polar Zn2FeNbO6 lattice motivated us to revisit other high-pressure prepared LiNbO3-type A(2)BB'O-6 compounds. The A-site atomic splitting (similar to 1.0-1.2 angstrom between the split-atom pair) in B/B'-mixed Zn2FeTaO6 and O/N-mixed ZnTaO2N is verified by both powder X-ray diffraction structural refinements and high angle annular dark field scanning transmission electron microscopy images, but is absent in single-B-site ZnSnO3. Theoretical calculations are in good agreement with experimental results and suggest that this kind of A-site splitting also exists in the B-site mixed Mn-analogues, Mn2FeMO6 (M = Nb, Ta) and anion-mixed MnTaO2N, where the smaller A-site splitting (similar to 0.2 angstrom atomic displacement) is attributed to magnetic interactions and bonding between A and B cations. These findings reveal universal A-site splitting in LiNbO3-type structures with mixed multivalent B/B', or anionic sites, and the splitting-atomic displacement can be strongly suppressed by magnetic interactions and/or hybridization of valence bands between d electrons of the A- and B-site cations.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000526300600046 Publication Date 2020-03-27
  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 1 Open Access Not_Open_Access
  Notes ; This work was supported by the National Science Foundation of China (NSFC-21875287), the Program for Guangdong Introducing Innovative and Entrepreneurial Teams (2017ZT07C069), and an NSF-DMR-1507252 grant (U.S.). Use of the NSLS, Brookhaven National Laboratory, was supported by the DOE BES (DE-AC02-98CH10886). M.R. is thankful for the Spanish Juan de la Cierva grant FPDI-2013-17582. Y.Z. and D.-X.Y. are supported by NKRDPC-2018YFA0306001, NKRDPC-2017YFA0206203, NSFC-11974432, NSFG-2019A1515011337, the National Supercomputer Center in Guangzhou, and the Leading Talent Program of Guangdong Special Projects. Work on IOP, CAS, was supported by NSFC and MOST grants. A portion of this research at ORNL's Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. J.H. and M.H. thank the FWO for support for the electron microscopy studies through grant G035619N. We thank beamline BL14B1 (Shanghai Synchrotron Radiation Facility) for providing beam time and help during the experiments. ; Approved Most recent IF: 15; 2020 IF: 13.858
  Call Number UA @ admin @ c:irua:170294 Serial 6646
Permanent link to this record
 

 
Author Daems, E.; Moro, G.; Campos, R.; De Wael, K.
  Title Mapping the gaps in chemical analysis for the characterisation of aptamer-target interactions Type A1 Journal article
  Year 2021 Publication Trac-Trends In Analytical Chemistry Abbreviated Journal Trac-Trend Anal Chem
  Volume (down) 142 Issue Pages 116311
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract Aptamers are promising biorecognition elements with a wide applicability from therapeutics to bio-sensing. However, to successfully use these biomolecules, a complete characterisation of their bindingperformance in the presence of the target is crucial. Several multi-analytical approaches have been re-ported including techniques to describe kinetic and thermodynamic aspects of the aptamer-targetinteraction, and techniques which allow an in-depth understanding of the aptamer-target structures.Recent literature shows the need of a critical data interpretation, a combination of characterisationtechniques and suggests the key role of the characterisation protocol design. Indeed, thefinal applicationof the aptamer should be considered before choosing the characterisation method. All the limitations andcapabilities of the analytical tools in use for aptamer characterisation should be taken into account. Here,we present a critical overview of the current methods and multi-analytical approaches to study aptamer-target binding, aiming to provide researchers with guidelines for the design of characterisation protocols.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000682179000010 Publication Date 2021-04-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0165-9936; 1879-3142 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.442 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 8.442
  Call Number UA @ admin @ c:irua:179407 Serial 8203
Permanent link to this record
 

 
Author Baly, L.; Quesada, I.; Murray, A.S.; Martin, G.; van Espen, P.; Arteche, R.; Jain, M.
  Title Modeling the charge deposition in quartz grains during natural irradiation and its influence on the optically stimulated luminescence signal Type A1 Journal article
  Year 2021 Publication Radiation Measurements Abbreviated Journal Radiat Meas
  Volume (down) 142 Issue Pages 106564
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract The rate of charge deposition in quartz grains irradiated in natural conditions is computed by radiation transport modeling. Quartz luminescence models are modified with the addition of the resulting charge deposition term, and the influence of this process on the optically stimulated luminescence (OSL) signal is analyzed. The results indicate that the charge deposition occurring in the quartz grain during the time of residence within rock could lead to the depletion of trapped holes in the recombination centres. For the two different quartz models investigated here, complete depletion is expected to occur for rock ages between 500 Ma and 1100 Ma. It is predicted that for sedimentary quartz derived from such rocks, the OSL signal is dominated by the slow component. It was also found that the shape and saturation level of the natural sensitivity-corrected dose response curve (DRC) of quartz is affected by the charge deposition; specifically, a linear reduction of the saturation level with the age of the rock is observed.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000639160300003 Publication Date 2021-03-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1350-4487 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.442 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 1.442
  Call Number UA @ admin @ c:irua:178307 Serial 8265
Permanent link to this record
 

 
Author Carniato, L.; Schoups, G.; Seuntjens, P.; Van Nooten, T.; Simons, Q.; Bastiaens, L.
  Title Predicting longevity of iron permeable reactive barriers using multiple iron deactivation models Type A1 Journal article
  Year 2012 Publication Journal of contaminant hydrology Abbreviated Journal
  Volume (down) 142 Issue Pages 93-108
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract In this study we investigate the model uncertainties involved in predicting long-term permeable reactive barrier (PRB) remediation efficiency based on a lab-scale column experiment under accelerated flow conditions. A PRB consisting of 20% iron and 80% sand was simulated in a laboratory-scale column and contaminated groundwater was pumped into the column for approximately 1 year at an average groundwater velocity of 3.7E – 1 m d(-1). Dissolved contaminants (PCE. TCE, cis-DCE, trans-DCE and VC) and inorganic (Ca2+, Fe2+, TIC and pH) concentrations were measured in groundwater sampled at different times and at eight different distances along the column. These measurements were used to calibrate a multi-component reactive transport model, which subsequently provided predictions of long-term PRB efficiency under reduced flow conditions (i.e., groundwater velocity of 1.4E -3 m d(-1)), representative of a field site of interest in this study. Iron reactive surface reduction due to mineral precipitation and iron dissolution was simulated using four different models. All models were able to reasonably well reproduce the column experiment measurements, whereas the extrapolated long-term efficiency under different flow rates was significantly different between the different models. These results highlight significant model uncertainties associated with extrapolating long-term PRB performance based on lab-scale column experiments. These uncertainties should be accounted for at the PRB design phase, and may be reduced by independent experiments and field observations aimed at a better understanding of reactive surface deactivation mechanisms in iron PRBs. (C) 2012 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000312753000009 Publication Date 2012-09-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0169-7722 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:106010 Serial 8402
Permanent link to this record
 

 
Author Dingenen, F.; Verbruggen, S.W.
  Title Tapping hydrogen fuel from the ocean : a review on photocatalytic, photoelectrochemical and electrolytic splitting of seawater Type A1 Journal article
  Year 2021 Publication Renewable & Sustainable Energy Reviews Abbreviated Journal Renew Sust Energ Rev
  Volume (down) 142 Issue Pages 110866
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Direct splitting of earth-abundant seawater provides an eco-friendly route for the production of clean H2, but is hampered by selectivity and stability issues. Direct seawater electrolysis is the most established technology, attaining high current densities in the order of 1–2 A cm−2. Alternatively, light-driven processes such as photocatalytic and photoelectrochemical seawater splitting are particularly promising as well, as they rely on renewable solar power. Solar-to-Hydrogen efficiencies have increased over the past decade from negligible values to about 2%. Especially the absence of large local pH changes (in the order of several tenths of a pH unit compared to up to 9 pH units for electrolysis) is a strong asset for pure photocatalysis. This may lead to less adverse side-reactions such as Cl2 and ClO− formation, (acid or base induced) corrosion and scaling. Besides, additional requirements for electrolytic cells, e.g. membranes and electricity input, are not needed in pure photocatalysis systems. In this review, the state-of-the-art technologies in light-driven seawater splitting are compared to electrochemical approaches with a focus on sustainability and stability. Promising advances are identified at the level of the catalyst as well as the process, and insight is provided in solutions crossing different fields.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000632316600003 Publication Date 2021-03-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1364-0321; 1879-0690 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.05 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 8.05
  Call Number UA @ admin @ c:irua:175701 Serial 8642
Permanent link to this record
 

 
Author Corthals, S.; van Noyen, J.; Liang, D.; Ke, X.; Van Tendeloo, G.; Jacobs, P.; Sels, B.
  Title A cyclic catalyst pretreatment in CO2 for high yield production of Carbon nanofibers with narrow diameter distribution Type A1 Journal article
  Year 2011 Publication Catalysis letters Abbreviated Journal Catal Lett
  Volume (down) 141 Issue 11 Pages 1621-1624
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract This paper presents a cyclic catalyst pretreatment process to improve the CNF yield with narrow size distribution by sequentially feeding the CVD reactor with CH4/CO2 mixtures (carbon deposition) and CO2 (carbon removal) prior to the actual growth process. A mechanism based on a break-up of large Ni particles tentatively explains the beneficial effect of the cyclic carbon deposition/removal CVD procedure.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Basel Editor
  Language Wos 000296471400006 Publication Date 2011-09-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1011-372X;1572-879X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.799 Times cited 1 Open Access
  Notes Iwt; Iap Approved Most recent IF: 2.799; 2011 IF: 2.242
  Call Number UA @ lucian @ c:irua:91888 Serial 598
Permanent link to this record
 

 
Author Krstajić, P.; Peeters, F.M.
  Title Influence of strain on the tunneling magnetoresistance in diluted magnetic semiconductor trilayer and double barrier structures Type A1 Journal article
  Year 2007 Publication Solid state communications Abbreviated Journal Solid State Commun
  Volume (down) 141 Issue 6 Pages 320-324
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000244006000004 Publication Date 2006-11-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0038-1098; ISBN Additional Links UA library record; WoS full record
  Impact Factor 1.554 Times cited Open Access
  Notes Approved Most recent IF: 1.554; 2007 IF: 1.535
  Call Number UA @ lucian @ c:irua:63747 Serial 1637
Permanent link to this record
 

 
Author Van den Broek, W.; Rosenauer, A.; Van Aert, S.; Sijbers, J.; van Dyck, D.
  Title A memory efficient method for fully three-dimensional object reconstruction with HAADF STEM Type A1 Journal article
  Year 2014 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
  Volume (down) 141 Issue Pages 22-31
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
  Abstract The conventional approach to object reconstruction through electron tomography is to reduce the three-dimensional problem to a series of independent two-dimensional slice-by-slice reconstructions. However, at atomic resolution the image of a single atom extends over many such slices and incorporating this image as prior knowledge in tomography or depth sectioning therefore requires a fully three-dimensional treatment. Unfortunately, the size of the three-dimensional projection operator scales highly unfavorably with object size and readily exceeds the available computer memory. In this paper, it is shown that for incoherent image formation the memory requirement can be reduced to the fundamental lower limit of the object size, both for tomography and depth sectioning. Furthermore, it is shown through multislice calculations that high angle annular dark field scanning transmission electron microscopy can be sufficiently incoherent for the reconstruction of single element nanocrystals, but that dynamical diffraction effects can cause classification problems if more than one element is present. (C) 2014 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000335766600004 Publication Date 2014-03-22
  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 6 Open Access
  Notes ResearchFoundationFlanders(FWO;G.0393.11; G.0064.10;andG.0374.13); European Union Seventh Frame- workProgramme [FP7/2007-2013]under Grant agreement no. 312483 (ESTEEM2).; esteem2jra2; esteem2jra4 Approved Most recent IF: 2.843; 2014 IF: 2.436
  Call Number UA @ lucian @ c:irua:117650 Serial 1992
Permanent link to this record
 

 
Author Bal, K.M.; Neyts, E.C.
  Title On the time scale associated with Monte Carlo simulations Type A1 Journal article
  Year 2014 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
  Volume (down) 141 Issue 20 Pages 204104
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Uniform-acceptance force-bias Monte Carlo (fbMC) methods have been shown to be a powerful technique to access longer timescales in atomistic simulations allowing, for example, phase transitions and growth. Recently, a new fbMC method, the time-stamped force-bias Monte Carlo (tfMC) method, was derived with inclusion of an estimated effective timescale; this timescale, however, does not seem able to explain some of the successes the method. In this contribution, we therefore explicitly quantify the effective timescale tfMC is able to access for a variety of systems, namely a simple single-particle, one-dimensional model system, the Lennard-Jones liquid, an adatom on the Cu(100) surface, a silicon crystal with point defects and a highly defected graphene sheet, in order to gain new insights into the mechanisms by which tfMC operates. It is found that considerable boosts, up to three orders of magnitude compared to molecular dynamics, can be achieved for solid state systems by lowering of the apparent activation barrier of occurring processes, while not requiring any system-specific input or modifications of the method. We furthermore address the pitfalls of using the method as a replacement or complement of molecular dynamics simulations, its ability to explicitly describe correct dynamics and reaction mechanisms, and the association of timescales to MC simulations in general.
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000345641400005 Publication Date 2014-11-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-9606;1089-7690; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.965 Times cited 26 Open Access
  Notes Approved Most recent IF: 2.965; 2014 IF: 2.952
  Call Number UA @ lucian @ c:irua:120667 Serial 2459
Permanent link to this record
 

 
Author Abakumov, A.M.; Shpanchenko, R.V.; Antipov, E.V.; Lebedev, O.I.; Van Tendeloo, G.; Amelinckx, S.
  Title Synthesis and structural study of hexagonal pervoskites in the Ba5>Ta4O15-MZrO3 (M=Ba, Sr) system Type A1 Journal article
  Year 1998 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume (down) 141 Issue Pages 492-499
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000077837100024 Publication Date 2002-09-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 17 Open Access
  Notes Approved Most recent IF: 2.299; 1998 IF: 1.432
  Call Number UA @ lucian @ c:irua:25666 Serial 3438
Permanent link to this record
 

 
Author Rosova, A.; Krekels, T.; Van Tendeloo, G.; Darriet, B.; Chambon, M.
  Title Twin boundary structure of Au-doped YBa2Cu3O7-x single crystals Type A1 Journal article
  Year 1993 Publication Ferroelectrics Abbreviated Journal Ferroelectrics
  Volume (down) 141 Issue Pages 87-94
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0015-0193 ISBN Additional Links UA library record
  Impact Factor 0.469 Times cited Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:7502 Serial 3766
Permanent link to this record
 

 
Author Li, L.; Kong, X.; Peeters, F.M.
  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 (down) 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 Alvarez-Martin, A.; Janssens, K.
  Title Protecting and stimulating effect on the degradation of eosin lakes. Part 1 : lead white and cobalt blue Type A1 Journal article
  Year 2018 Publication Microchemical journal Abbreviated Journal Microchem J
  Volume (down) 141 Issue 141 Pages 51-63
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract An important problem encountered during the preservation of paintings and other artworks is the fading of the original colors due to exposure of the colorants to light. This fact is clearly evidenced in some of Vincent Van Gogh's paintings in which an organic red, eosin or geranium lake, is present. The identification of eosin and the characterization of its degradation products in paintings represents a challenge because of (i) the generally low concentration of the pigment remaining after an aging period of ca 100 years, (ii) the scarcity of the paint micro samples available for analysis and the difficulty of obtaining additional ones and (iii) the complexity of the degradation behavior of eosin when it is mixed with organic or inorganic pigments, binding media or varnish. This study presents an accelerated aging experiment of eosin paint models in order to understand better the discoloration process; more specifically the influence of different metals with which eosin forms complexes and of the presence of admixture pigments such as lead white and cobalt blue on the lightfastness of eosin is evaluated. Paint model samples were prepared using eosin, lead white, and cobalt blue in different mixing ratios and were characterized with several techniques before and after aging. The possible formation of intermediate molecular forms during the aging experiment and the influence of pigment ratios on the discoloration process were monitored at periodic intervals using a combination of LTV Visible and attenuated total Reflectance-Fourier transform infrared (ATR-FTIR) spectroscopies. Raman spectroscopy, scanning electron microscopy coupled to energy-dispersive X-ray analysis (SEM-EDX) and optical microscopy (OM) analyses were performed to gain information about the discoloration processes taking place within the paint models. Eosin precipitated on lead, aluminum and potassium/aluminum salts was used. These three lakes showed similar discoloration rates under light exposure. In contrast, the presence and relative abundance of the admixture pigments lead white and cobalt blue had a significant influence on the (speed of the) eosin discoloration process. The presence of lead white and cobalt blue appears to stimulate the eosin degradation. However, the cobalt blue shows less influence in the discoloration process, showing a protective effect during the first stages of the aging. This may be qualitatively explained in terms of the ability of lead white to scatter light towards eosin molecules and the absorption characteristics of cobalt blue in the green range of the electromagnetic spectrum, shielding eosin from incoming light. The color changes observed in the paint reconstructions are similar to discoloration phenomena visible in some Van Gogh paintings and can offer an explanation of the gradual discoloration process that took place over the years. These insights will be helpful to estimate the original hues color used/intended by the artist.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000439678200006 Publication Date 2018-05-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0026-265x; 0026-265x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.034 Times cited 3 Open Access
  Notes ; The authors sincerely acknowledged Dr. Costanza Miliani for sharing information about the synthesis of geranium lake. The authors also acknowledged Dr. Geert van der Snickt and Gert Nuyts for the help with the aging experiments and for carrying out the SEM-EDX measurements respectively. The authors would like to acknowledge the SolarPaint project (GOA programme, Antwerp University Research Council) for financial support. ; Approved Most recent IF: 3.034
  Call Number UA @ admin @ c:irua:153087 Serial 5788
Permanent link to this record
 

 
Author Pour, M.D.; Motiee, N.; Barati, A.A.; Taheri, F.; Azadi, H.; Gebrehiwot, K.; Lebailly, P.; Van Passel, S.; Witlox, F.
  Title Impacts of the Hara biosphere reserve on livelihood and welfare in Persian Gulf Type A1 Journal article
  Year 2017 Publication Ecological Economics Abbreviated Journal Ecol Econ
  Volume (down) 141 Issue Pages 76-86
  Keywords A1 Journal article; Economics; Engineering Management (ENM)
  Abstract Despite the importance of biosphere reserves in Iran's livelihood and welfare, the economic significance of Hara Biosphere Reserve has never been comprehensively studied. This study examines the current importance of Hara Biosphere Reserve (HBR) in local livelihood and welfare. Using a household survey, data were collected through a questionnaire, key informant interviews and direct observations. Two hundred and forty-four households were randomly selected from 10 villages through proportional sampling. Results showed that non-environmental income was the first driver of the total income, poverty alleviation and narrowing income inequality gap. Park income was the second. The results also showed that excluding park income from total income would significantly increase headcount poverty, widen the poverty gap, and raise the Gini coefficient. Wealthier households had the greatest absolute income from the environment, including forest, fishing and fodder. However, the poorest group had smallest absolute income from these sources. Thus, the study demonstrated that wealthier households are responsible for the overharvesting of environmental resources. Interestingly, the study showed that wealthier households are more dependent on profitable environmental incomes sources while the poorest are more dependent on non-profitable ones. (C) 2017 Elsevier B.V. All rights reserved.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000410013200008 Publication Date 2017-06-02
  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 7 Open Access
  Notes ; ; Approved Most recent IF: 2.965
  Call Number UA @ admin @ c:irua:145602 Serial 6214
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