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Author Kashiwar, A. url  doi
openurl 
  Title TEM investigations of deformation mechanisms in nanocrystalline metals and multilayered composites Type Doctoral thesis
  Year 2022 Publication Abbreviated Journal  
  Volume Issue Pages xvi, 129 p.  
  Keywords Doctoral thesis; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract (down) In the last few decades, nanostructuring has driven significant attention towards the development of novel metallic materials with advanced mechanical properties. Nanocrystalline (nc) metals are a class of nanostructured materials with grain sizes smaller than about 100 nm. These exhibit outstanding mechanical strength and fatigue properties compared to their coarse-grained (cg) counterparts. These are promising candidates for application as structural or functional materials. Nc metals in the form of thin films are employed as hard coatings on bulk components, structural components, and conductive layers in various micro-/nanoscale devices. These structural components and devices are often subjected to cyclic stresses or fatigue loading. Under these cyclic stresses, nc metals tend to exhibit the Bauschinger effect (BE). The strength loss during the BE is of great importance concerning the strength-ductility trade-off in nc metals. Furthermore, contact surfaces of the engineering components in service often undergo relative motion and are subject to both friction and wear. These extreme loading conditions demand nc metals with tailored interfacial characteristics for improved tribological performance. Aiming at ensuring high reliability and mechanical robustness for optimum performance of these components, there has been a strong motivation for understanding the mechanical properties and governing deformation mechanisms in nc metallic materials. This thesis aimed at in-depth investigation of microstructures at micro-/nanoscales using state-of-the-art in situ and ex situ transmission electron microscopy (TEM) to develop a closer link between the deformation structure and underlying deformation mechanisms in some nc metallic materials. The thesis has primarily focused on the in situ TEM nanomechanics of the BE and rotational deformation of grains in nc palladium thin films. A sputtered thin film of nc Pd was deformed inside TEM by cyclic loading-unloading experiments and the evolving microstructure was studied in real-time under different TEM imaging modes. The stress-strain response of the film exhibited a characteristic non-linear unloading behavior confirming the BE in the film. The corresponding bright-field TEM imaging revealed evidence of partially reversible dislocation activity. Towards a quantitative understanding of the deformation structure in real-time, in situ nanomechanical testing was coupled with precession-assisted automated crystal orientation mapping in scanning TEM (ACOM-STEM). Global ACOM-STEM analysis offered crystal orientation of a large number of grains at different states of deformation and confirmed partially reversible rotations of nanosized grains fitting to the observed BE during loading and unloading. Analysis of intragranular rotations showed substantial changes in the sub-structure within most of these grains indicating a dominant role of dislocation-based processes in driving these rotations. Globally, an unusually random evolution of texture was seen that demonstrated the influence of deformation heterogeneity and grain interactions on the resulting texture characteristics in nc metals. In the quest of understanding the grain interactions, local investigations based on annular dark-field STEM imaging during loading-unloading showed reversible changes in the contrast of grains with sets of adjoining grains exhibiting a unique cooperative rotation. Local analysis of the density of geometrically necessary dislocations (GNDs) showed the formation of dislocation pile-up at grain boundaries due to the generation of back-stresses during unloading. Critical observations of the evolution of GND density offered greater insights into the mechanism of cooperative grain rotations and these rotations were related to grain structure and grain boundary characteristics. In addition to understanding the influence of grain structure and grain boundaries, the thesis has further investigated the role of heterointerfaces in sputtered Au-Cu and Cu-Cr nanocrystalline multilayered composites (NMCs) deformed under cyclic sliding contact. The microstructural evolution in the NMCs was investigated at different deformation states by classical TEM imaging, ACOM-STEM as well as energy-filtered TEM (EFTEM). Au-Cu NMC with an initial high density of twin boundaries deformed by stress-driven detwinning with a concurrent change in grain structure in both Au and Cu. The formation of a vortex structure was observed due to plastic flow instabilities at Au-Cu interfaces that led to codeformation and mechanical intermixing. Cu-Cr NMC showed a preferential grain growth in Cu layers whereas no noticeable change in the grain sizes was seen in Cr layers. The phase maps revealed sharp interfaces between Cu and Cr layers indicating no intermixing between the immiscible phases. EFTEM results exposed the cracking processes in Cr layers with a concurrent migration of Cu in the cracks. Overall, the thesis has attempted to analyze the competing deformation processes and relate these with the microstructural heterogeneity in terms of grain structure and GB and interfacial characteristics in nc metallic materials.  
  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 OpenAccess  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:189013 Serial 7343  
Permanent link to this record
 

 
Author Raes, A.; Ninakanti, R.; Van den Bergh, L.; Borah, R.; Van Doorslaer, S.; Verbruggen, S.W. url  doi
openurl 
  Title Black titania by sonochemistry : a critical evaluation of existing methods Type A1 Journal article
  Year 2023 Publication Ultrasonics sonochemistry Abbreviated Journal  
  Volume 100 Issue Pages 106601-106609  
  Keywords A1 Journal article; Theory and Spectroscopy of Molecules and Materials (TSM²); Laboratory of adsorption and catalysis (LADCA)  
  Abstract (down) In the field of photocatalysis, the fabrication of black titania is a booming topic, as it offers a system with improved solar light harvesting properties and increased overall efficiency. The darkening of white TiO2 powders can be ascribed to surface hydroxylation, oxygen vacancies, Ti3+ centres, or a combination thereof. A handful of studies suggests these defects can be conveniently introduced by acoustic cavitation, generated during sonochemical treatment of pristine TiO2 powders. In reproducing these studies, P25 TiO2 samples were ultrasonicated for various hours with a power density of 8000 W/L, resulting in powders that indeed became gradually darker with increasing sonication time. However, HAADF–STEM revealed that extensive erosion of the sonotrode tip took place and contaminated the samples, which appeared to be the primary reason for the observed colour change. This was confirmed by UV–Vis DRS and DRIFTS, that showed no significant alteration of the catalyst surface after sonication. EPR measurements showed that only an insignificant fraction of Ti3+ centres were produced, far less than in a TiO2 sample that was chemically reduced with NaBH4. No evidence of the presence oxygen vacancies could be found. The enhanced photocatalytic activities of ultrasonicated materials reported in literature can therefore not be ascribed to the synthesis of actual black (defected) TiO2, but rather to specific changes in morphology as a result of acoustic cavitation. Also, this study underlines the importance of considering probe erosion in sonochemical catalyst synthesis, which is an unavoidable side effect that can have an important impact on the catalyst appearance, properties and performance.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001084391500001 Publication Date 2023-09-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1350-4177 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.4 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 8.4; 2023 IF: 4.218  
  Call Number UA @ admin @ c:irua:198848 Serial 8838  
Permanent link to this record
 

 
Author Bottari, F. url  openurl
  Title Bio(inspired) strategies for the electro-sensing of β-lactam antibiotics Type Doctoral thesis
  Year 2019 Publication Abbreviated Journal  
  Volume Issue Pages 205 p.  
  Keywords Doctoral thesis; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract (down) In the broad context of food and environmental safety, the development of selective and sensitive analytical tools for the detection of β-lactam antibiotics in milk down to their Maximum Residues Limits (MRL), is still an open challenge. To address this need, the design of new bio(mimetic) electrochemical sensors was investigated in the present thesis. These sensors are based on the intrinsic electrochemistry of β-lactam antibiotics, taking advantages of the characteristic electrochemical fingerprints of the core structures and redox active side chain groups. The electrochemistry of nafcillin (NAF) and the isoxazolyl penicillins (ISOXA) was investigated, identifying the peculiar electrochemical fingerprint of each antibiotic, proving that it is possible to use electrochemistry for the selective detection of these antimicrobial drugs. Once verified the applicability of a direct detection, different sensor configurations were tested mainly focusing on: – the selection and validation of aptamers to be used as bioreceptors in the development of β-lactam biosensors; – the design of biomimetic receptors, particularly molecularly imprinted polymers, and other synthetic electrode modifiers compatible with a direct detection strategy. The selection of novel aptamers was performed following both a traditional FluMag SELEX protocol and a novel variant based on graphene oxide (GO). First results with the modified GO-SELEX are promising but more work still needs to be done to validate this novel approach. The few aptamers for β-lactam antibiotics, already reported in literature by other groups, were poorly characterized up to now. For this reason, a multi-analytical characterization protocol for aptamer binding studies was optimized and validated by focusing on aptamer AMP17 against ampicillin. The protocol combines ITC, nESI-MS and 1H-NMR. Very striking was the fact that the aptamer sequence did not show any sign of specific binding for its target, even if it was used in many other studies in the past. This thesis now offers a validated protocol for testing the affinity and binding capabilities of aptamer sequences. In parallel, the functionalization of the electrode surface with polymer modifiers was studied. In particular we optimized a MIP electrochemical sensor based on 4-aminobenzoic acid for the direct electrochemical detection of CFQ. Another approach was tested based on the intrinsic affinity of NAF for an oPD electropolymerized film on the electrode surface. Both sensors were found to be sensitive and selective for the detection of CFQ and NAF at MRLs in buffer solutions. The proposed protocols are robust and promising for technological transfer. Lastly, the research activity was directed towards milk sample analysis following two parallel routes: the development of a pre-treatment protocol for raw milk, based on solvent addition (ACN or ISO), and the study of β-lactam antibiotics electrochemistry in undiluted raw milk with addition of KNO3 as supporting electrolyte. Both approaches gave encouraging results and the detection of NAF, CFQ and CFU in the micromolar range was achieved, with the second approach in undiluted raw milk.  
  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 no  
  Call Number UA @ admin @ c:irua:164996 Serial 7557  
Permanent link to this record
 

 
Author Xie, Y. url  openurl
  Title Bioreactor strategies for sustainable nitrogen cycling based on mineralization/nitrification, partial nitritation/anammox or sulfur-based denitratation Type Doctoral thesis
  Year 2021 Publication Abbreviated Journal  
  Volume Issue Pages iv, 205 p.  
  Keywords Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract (down) In the biogeochemical flows on Earth, the reactive nitrogen (Nr) level has three times surpassed the safe boundary. The severe transgression of this boundary goes against sustainable planetary development. The modern food production process excessively relies on synthetic Nr fertilizers from the Haber– Bosch process. However, the massive loss of valuable nitrogen resources (i.e., 78-89%) from agriculture has been causing severe nitrogen cascade. Besides, the domestic wastewater in some local areas is discharged without proper treatment, making it a nonnegligible source of Nr pollution for local water bodies. Anthropogenic activities keep pumping out Nr pollution via point-source and non-point-source (NPS) emissions. Compared to the NPS emissions, point sources give visible and identified waste streams. It is vital to intervene the nitrogen cascade from point sources and facilitate humanity back to the safe Nr boundary. The collected and collectible Nr streams from food production, waste management, and recycling secondary raw materials can be used as waste-based fertilizers for agricultural cultivation. Besides the well-investigated recovery of inorganic Nr, organic Nr accounts for a massive Nr proportion on the Earth. Proper handling and treatment make these useful organic fertilizers for soil-based cultivation. However, these organic Nr fertilizers cannot directly apply to fertigation or hydroponic cultivation systems, and further biological conversion via nitrogen mineralization and nitrification to nitrate is essential. Besides the direct Nr cycling, the indirect Nr cycling ‘over the atmosphere’ should also be considered. In this way, the nitrogen cycle can be completed via converting the waste Nr back to nitrogen gas (i.e., Nr removal) and then synthesizing into Nr again. The municipal wastewater treatment plants receive a vast amount of low-strength Nr wastewater (mainly as ammonium) daily. Compared to the conventional nitrification/denitrification process, partial nitritation/anammox (PN/A) is considered a resource- and cost-effective technology for wastewater with a low COD/N ratio. Moreover, the novel autotrophic denitratation/anammox process could be a good Nr removal process for wastewater containing both ammonium and nitrate. This Ph.D. thesis aimed to develop Nr recovery, conversion, and removal bioreactor strategies for different types of waste streams and biomass. Nr recovery was investigated on high-strength Nr waste streams for fertigation or hydroponic applications in Chapters 2 and 3. On the other hand, Nr removal was studied on the medium- to low-strength Nr waste streams in Chapters 4 and 5. In Chapter 2, a novel mineralization and nitrification system was proposed, producing nutrient solutions from solid organic fertilizers for hydroponic systems. Batch tests showed that aerobic incubation at 35°C could realize the NO₃⁻-N production efficiency above 90% from a novel microbial fertilizer. Subsequently, in the stirred tank bioreactor test, NO₃⁻-N production efficiency stabilized in a range of 44-51% under the influent loading rate of 400 mg TN L⁻¹ d⁻¹ at a 5-day HRT. Using Ca(OH)₂ and Mg(OH)₂ as pH control reagents generated the nutrient solutions with different P, Ca, and Mg nutrient levels. After modeling the nutrient balancing process, the proportion of organic-sourced NO₃⁻-N in the Hoagland nutrient solution (HNS) of Ca(OH)₂ scenario was 92.7%, while only 37.4% in the Mg(OH)₂ scenario. Compared to commercial scenarios, the total costs of the organic-sourced HNS can be cost-competitive for hydroponic cultivation. In Chapter 3, the Nr recovery as nitrate (NO₃⁻-N) from diluted human urine (around 670 mg N L⁻¹) was explored in a trickling filter (TF) for the first time. A novel concept of in-situ integrating the TF system into hydroponic systems was proposed as meaningful progress towards sustainable agriculture. The difference between synthetic and real urine in nitrification efficiency was found to be negligible. The full nitrification of alkalinized real urine was realized in the pH-controlled TF by calcium hydroxide (Ca(OH)₂) at around pH 6. The TF could handle different urine collection batches and maintain relatively stable nitrification performance, with NO₃⁻-N production efficiency and rate of 88±3% and 136±4 mg N L⁻¹ d⁻¹, respectively. The optimal HLR to realize this nitrification performance was 2 m³ m⁻² h⁻¹, with energy consumption of 1.8 kWh electricity kg⁻¹ NO₃⁻-N production. Ca(OH)₂, as a cheap base, its triple advantages on urine alkalinization, full nitrification, and macronutrient supplementation were successfully demonstrated in our proposed concept. In Chapter 4, towards more sustainable wastewater treatment, the feasibility of one-stage partial nitritation/anammox (PN/A) was investigated in three parallel packed-bed trickling filters (TFs), with three types of carrier materials of different specific surface areas. Synthetic wastewater containing 100-250 mg NH₄⁺-N L⁻¹ was tested to mimic medium-strength household waste streams after carbon removal. Interestingly, the cheap carrier based on expanded clay achieved similar rates as commercially used plastic carrier materials. The top passive ventilation combined with an optimum hydraulic loading rate of 1.8 m³ m⁻² h⁻¹ could reach approximately 60% total nitrogen (TN) removal at a rate of 300 mg N L⁻¹ d⁻¹. A relatively low NO₃⁻-N production (13%) via PN/A was achieved in TFs. Most of the TN removal took place in the top compartment, where anammox activity was the highest. Energy consumption estimation (0.78 kWh electricity g⁻¹ N removed) suggested that the proposed process could be a suitable low-cost alternative for nitrogen removal. In Chapter 5, coupling sulfur-driven denitratation (SDN) with anammox was proposed to treat the wastewater containing both NO₃⁻-N and NH₄⁺-N, like the secondary effluents of mainstream PN/A processes. To explore the feasibility of sufficient and stable NO₂⁻-N accumulation via SDN in the long term, the effects of pH setpoints, residual NO₃⁻-N level, and biomass-specific NO₃⁻-N loading rate (BSNLR) were investigated. Alternating the pH setpoints between 7.0 and 8.5 could temporarily stimulate the NO₂⁻-N accumulation. Both the residual NO₃⁻-N and BSNLR showed highly positive correlations with the NO₂⁻-N accumulation efficiency. Under the control of pH 8.5, 1.0±0.8 mg NO₃⁻-N L⁻¹ and 150±42 mg NO₃⁻-N g⁻¹ VSS d⁻¹, SDN could produce 6.4±1.0 mg NO₂⁻-N L⁻¹ in the short term. Thiobacillus members may play a crucial role in managing the NO₂⁻-N accumulation, but the reduction of abundance and possible adaptation significantly impaired the efficacy of control strategies in the long run. Overall, novel technologies have been proposed to sustainably convert Nr in waste streams and biomass. The decision for Nr recovery versus removal and synthesis should be based on specific cases with the best environmental, economic, and human-health sustainability. In the future, the Nr management concepts should be further improved to make the nitrogen cycle more sustainable with higher resource use efficiency and less Nr emissions to the environment. Although the thesis is mainly focused on limited types of Nr waste streams, it pointed out the direction of sustainable Nr management and could facilitate the Nr back to the safe boundary in the long run.  
  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:182099 Serial 7563  
Permanent link to this record
 

 
Author Vandekerckhove, T.G.L.; De Mulder, C.; Boon, N.; Vlaeminck, S.E. pdf  url
doi  openurl
  Title Temperature impact on sludge yield, settleability and kinetics of three heterotrophic conversions corroborates the prospect of thermophilic biological nitrogen removal Type A1 Journal article
  Year 2018 Publication Bioresource technology Abbreviated Journal  
  Volume 269 Issue Pages 104-112  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract (down) In specific municipal and industrial cases, thermophilic wastewater treatment (>45 °C) might bring cost advantages over commonly applied mesophilic processes (1035 °C). To develop such a novel process, one needs sound parameters on kinetics, sludge yield and sludge settleability of three heterotrophic conversions: aerobic carbon removal, denitritation and denitrification. These features were evaluated in acetate-fed sequencing batch reactors (30, 40, 50 and 60 °C). Higher temperatures were accompanied by lower sludge production and maximum specific removal rates, resulting mainly from lower maximum growth rates. Thermophilic denitritation was demonstrated for the first time, with lower sludge production (1826%), higher nitrogen removal rates (2492%) and lower carbon requirement (40%) compared to denitrification. Acceptable settling of thermophilic aerobic (60 °C) and anoxic biomass (50 and 60 °C) was obtained. Overall, this parameter set may catalyze the establishment of thermophilic nitrogen removal, once nitritation and nitratation are characterized. Furthermore, waters with low COD/N ratio might benefit from thermophilic nitritation/denitritation.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000445897400014 Publication Date 2018-08-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0960-8524 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:152946 Serial 8646  
Permanent link to this record
 

 
Author Mobaraki, A.; Kandemir, A.; Yapicioglu, H.; Gulseren, O.; Sevik, C. doi  openurl
  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 144 Issue Pages 92-98  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract (down) 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 Chekol Zewdie, M. isbn  openurl
  Title How irrigation water impacts Ethiopian agriculture : an applied economics study Type Doctoral thesis
  Year 2021 Publication Abbreviated Journal  
  Volume Issue Pages xiv, 152 p.  
  Keywords Doctoral thesis; Economics; Engineering Management (ENM)  
  Abstract (down) In recent decades, as crop production has increased in many areas where irrigation projects have been implemented, the global agricultural development community has promoted irrigation investments. However, due to the disappointing performance of irrigation farming in developing countries, irrigation intervention in Africa South of the Sahara including Ethiopia is an issue of debate. Moreover, several gaps exist in the Ethiopian irrigation farming literature. For instance, evidence about the direct and indirect effects of irrigation water on agriculture is not well documented. The irrigation farming literature has not disentangled the indirect effects of having access to irrigation water from the direct effect and the indirect effects have been underrepresented. Furthermore, most previous studies have applied either a quantitative or qualitative approach and have relied only on revealed data as main type of methodology, making studies that combine qualitative and quantitative research and that use both stated and revealed data underrepresented. In this study, different approaches have been applied to investigate how irrigation water impacts Ethiopia agriculture with special attention being given to disentangling the direct and indirect effects of irrigation water on Ethiopian agriculture. Using a structural equation model, a stochastic production frontier approach, and a discrete choice experiment, I drew evidence regarding the direct and indirect effects of irrigation water on crop revenue of smallholder farmers, the technical efficiency of irrigation user farmers, and the farmers’ willingness to pay to improve poor irrigation schemes from field observations, semi-structured interviews and focus group discussions with farmers, and key informant interviews with the local agricultural agents from the Koga and Fogera Districts of Amhara Region Ethiopia. The results indicate that irrigation water in general has both direct and indirect positive effects on agriculture, and the indirect effect is mediated by both improved farm inputs and the type of crops produced. The results also show that – due to poor extension services and backward agronomic practices, the mean technical efficiency of farmers in Ethiopia is very low, and that large-scale irrigation users are less technically efficient than small-scale irrigation users. Moreover, the results show that improving irrigation schemes shifts the frontier up, and smallholder farmers are strongly willing to contribute financially to the maintenance costs of irrigation schemes. The results offer relevant lessons for policymakers that providing irrigation water supply must be embedded in a comprehensive support package including access to extension services, improved input supply, and access to stable markets.  
  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 978-90-5728-700-8 Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:180816 Serial 6928  
Permanent link to this record
 

 
Author Kumar, M.; Sengupta, A.; Kummamuru, N.B. url  doi
openurl 
  Title Molecular simulations for carbon dioxide capture in silica slit pores Type A3 Journal article
  Year 2023 Publication Materials Today: Proceedings Abbreviated Journal  
  Volume Issue Pages 1-9  
  Keywords A3 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract (down) In present work, we have performed the Grand Canonical Monte Carlo (GCMC) simulations to quantify CO2 capture inside porous silica at high operating temperatures of 673.15 K and 873.15 K; and over a operating pressure range of 500 kPa – 4000 kPa that are methane steam reforming process parameters. Related chemical potential values at these thermodynamic conditions are obtained from the bulk phase simulations in the Canonical ensemble in conjunction with Widom’s insertion technique, where the CO2 has been accurately represented by TraPPE force field. Present structure of the porous silica is a single slit pore geometry of various heights (H = 20 Å, 31.6 Å, 63.2 Å and 126.5 Å), dimensions in which possible vapour-liquid equilibria for generic square well fluids has been reported in literature. Estimation of the pore-fluid interactions show a higher interaction between silica pore and adsorbed CO2 compared to the reported pore-fluid interactions between homogeneous carbon slit pore and adsorbed CO2; thus resulting in an enhancement of adsorption inside silica pores of H = 20 Å and H = 126.5 Å, which are respectively 3.5 times and 1.5 times higher than that in homogeneous carbon slit pores of same dimensions and at 673.15 K and 500 kPa. Estimated local density plots indicate the presence of structured layers due to more molecular packing, which confirms possible liquid-like and vapour-like phase coexistence of the supercritical bulk phase CO2 under confinement.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2023-05-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2214-7853 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:200944 Serial 9058  
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Author Clauwaert, P.; Muys, M.; Alloul, A.; De Paepe, J.; Luther, A.; Sun, X.; Ilgrande, C.; Christiaens, M.E.R.; Hu, X.; Zhang, D.; Lindeboom, R.E.F.; Sas, B.; Rabaey, K.; Boon, N.; Ronsse, F.; Geelen, D.; Vlaeminck, S.E. pdf  url
doi  openurl
  Title Nitrogen cycling in bioregenerative life support systems : challenges for waste refinery and food production processes Type A1 Journal article
  Year 2017 Publication Progress in aerospace sciences Abbreviated Journal  
  Volume 91 Issue Pages 87-98  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract (down) In order to sustain human life in an isolated environment, an efficient conversion of wasted nutrients to food might become mandatory. This is particularly the case for space missions where resupply from earth or in-situ resource utilization is not possible or desirable. A combination of different technologies is needed to allow full recycling of e.g. nitrogenous compounds in space. In this review, an overview is given of the different essential processes and technologies that enable closure of the nitrogen cycle in Bioregenerative Life Support Systems (BLSS). Firstly, a set of biological and physicochemical refinery stages ensures efficient conversion of waste products into the building blocks, followed by the production of food with a range of biological methods. For each technology, bottlenecks are identified. Furthermore, challenges and outlooks are presented at the integrated system level. Space adaptation and integration deserve key attention to enable the recovery of nitrogen for the production of nutritional food in space, but also in closed loop systems on earth.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000404699800005 Publication Date 2017-05-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0376-0421; 1873-1724 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:148996 Serial 8310  
Permanent link to this record
 

 
Author van der Snickt, G.; de Boeck, A.; Keutgens, K.; Anthierens, D. openurl 
  Title The SALUT project : study of advanced laser techniques for the uncovering of polychromed works of art Type P1 Proceeding
  Year 2007 Publication Abbreviated Journal  
  Volume 116 Issue Pages 151-158 T2 - Proceedings of the 6th International  
  Keywords P1 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract (down) In order to find out whether the existing laser systems can be employed to remove superimposed layers of paint on secco wall paintings in a selective way, laser tests were carried out on three types of prepared samples simulating three stratigraphies that are frequently encountered in practice. OM, EPMA, colorimetry, mu Raman, and FT-IR were used to evaluate the results. It was found that Q-switched Nd:YAG lasers emitting at 1,064 nm could be employed to remove unwanted layers of oil paint and limewash, but the treatment of large areas requires implementation of a computer-controlled X-Y-Z station in order to control the parameters. However, the applicability of this technique will remain limited as ablation at the established optimum parameters implied a discoloration of the pigments cinnabar, yellow ochre, and burnt sienna. Moreover, it was observed that no ablation took place when the limewash thickness exceeds 25 mu m. Unwanted layers of acrylic could be removed in an efficient way with an excimer laser emitting at 193 nm.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000252680500018 Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 978-3-540-72129-1; 0930-8989 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:157216 Serial 8491  
Permanent link to this record
 

 
Author Eisma, D.; Kalf, J.; Karmini, M.; Mook, W.G.; Van Put, A.; Bernard, P.; Van Grieken, R. pdf  doi
openurl 
  Title Dispersal of suspended matter in Makasar Strait and the Flores Basin Type A1 Journal article
  Year 1989 Publication Netherlands journal of sea research Abbreviated Journal  
  Volume 24 Issue 4 Pages 383-398  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract (down) In November 1984 in Makasar and the Flores Basin water samples were collected (T, S, dissolved O2, total CO2), bottom samples (sediment composition) and suspended matter (particle composition, particle size). A sediment trap was moored in the Flores Basin at 4600 m depth for nearly four months, covering the dry season. In the Flores Basin there are indications for bottom flow resuspending bottom material or preventing suspended material from settling; in Makasar Strait there is probably inflow of deep water both from the south and from the north, resulting in a very slow bottom water flor. Bottom deposits in Makasar Strait and the Flores Basin are predominantly terrigenous, with an admixture of organic carbonate and silica (mostly coccoliths). Volcanic material is primarily present near to the volcanoes in the south and reaches the deeper basins by slumping. In the suspended matter no volcanic particles and little planktonic material were found, although the latter form 10 to 15% of the top sediment and of the material deposited in the sediment trap. In suspension particles with a large concentration of tin (Sn) were found associated mainly with iron. They probably come from northern Kalimantan or northern Sulawesi. Suspended matter concentrations were mainly less than 0.5 mg·dm−3, only off the Mahakam river mouth were concentrations higher than 1 mg·dm−3. Particle size was erratic because of the variable composition of the coarser particles in suspension. Organic matter concentrations in suspension (in mg·dm−3) roughly follow the distribution of total suspended matter but organic content (in %) of the suspended matter does not show any trends. All organic matter in suspension is of marine origin except in the Mahakam river and estuary. Deposition rates, as estimated from the sediment trap results, are 150 mg·cm−2·a−1 for the total sediment, 26 mg·cm−2·a−1 for carbonate and 13 mg·cm−2·a−1 for organic matter. Flocs and fibres in suspension were only found in and below the Mahakam river plume that reaches ca 400 km from the river mouth to the southeast, and in surface waters associated with plankton (diatoms). The formation of these flocs (broken-up macroflocs or marine snow) is primarily related to particle concentration, turbulence, and the presence of organisms that produce sticky material or glue particles together.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2003-08-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0077-7579; 1873-1406 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:116825 Serial 7814  
Permanent link to this record
 

 
Author Yao, W.; Hui, C.; Wang, L.; Wang, J.; Gielis, J.; Shi, P. doi  openurl
  Title Comparison of the performance of two polar equations in describing the geometries of elliptical fruits Type A1 Journal article
  Year 2024 Publication Botany letters Abbreviated Journal  
  Volume Issue Pages  
  Keywords A1 Journal article; Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS)  
  Abstract (down) In nature, the two-dimensional (2D) profiles of fruits from many plants often resemble ellipses. However, it remains unclear whether these profiles strictly adhere to the ellipse equation, as many natural shapes resembling ellipses are actually better described as superellipses. The superellipse equation, which includes an additional parameter n compared to the ellipse equation, can generate a broader range of shapes, with the ellipse being just a special case of the superellipse. To investigate whether the 2D profiles of fruits are better described by ellipses or superellipses, we collected a total of 751 mature and undamaged fruits from 31 naturally growing plants of Cucumis melo L. var. agrestis Naud. Our analysis revealed that most adjusted root-mean-square errors (> 92% of the 751 fruits) for fitting the superellipse equation to the fruit profiles were consistently less than 0.0165. Furthermore, there were 638 of the 751 fruits (ca. 85%) with the 95% confidence intervals of the estimated parameter n in the superellipse equation not including 2. These findings suggest that the profiles of C. melo var. agrestis fruits align more closely with the superellipse equation than with the ellipse equation. This study provides evidence for the existence of the superellipse in fruit profiles, which has significant implications for studying fruit geometries and estimating fruit volumes using the solid of revolution formula. Furthermore, this discovery may contribute to a deeper understanding of the mechanisms driving the evolution of fruit shapes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001219634500001 Publication Date 2024-05-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2381-8107; 2381-8115 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 1.5 Times cited Open Access  
  Notes Approved Most recent IF: 1.5; 2024 IF: NA  
  Call Number UA @ admin @ c:irua:205955 Serial 9140  
Permanent link to this record
 

 
Author Liang, Q.; Yang, D.; Xia, F.; Bai, H.; Peng, H.; Yu, R.; Yan, Y.; He, D.; Cao, S.; Van Tendeloo, G.; Li, G.; Zhang, Q.; Tang, X.; Wu, J. pdf  doi
openurl 
  Title Phase-transformation-induced giant deformation in thermoelectric Ag₂Se semiconductor Type A1 Journal article
  Year 2021 Publication Advanced Functional Materials Abbreviated Journal Adv Funct Mater  
  Volume Issue Pages 2106938  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract (down) In most semiconducting metal chalcogenides, a large deformation is usually accompanied by a phase transformation, while the deformation mechanism remains largely unexplored. Herein, a phase-transformation-induced deformation in Ag2Se is investigated by in situ transmission electron microscopy, and a new ordered high-temperature phase (named as alpha '-Ag2Se) is identified. The Se-Se bonds are folded when the Ag+-ion vacancies are ordered and become stretched when these vacancies are disordered. Such a stretch/fold of the Se-Se bonds enables a fast and large deformation occurring during the phase transition. Meanwhile, the different Se-Se bonding states in alpha-, alpha '-, beta-Ag2Se phases lead to the formation of a large number of nanoslabs and the high concentration of dislocations at the interface, which flexibly accommodate the strain caused by the phase transformation. This study reveals the atomic mechanism of the deformation in Ag2Se inorganic semiconductors during the phase transition, which also provides inspiration for understanding the phase transition process in other functional materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000695142800001 Publication Date 2021-09-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1616-301x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.124 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 12.124  
  Call Number UA @ admin @ c:irua:181527 Serial 6879  
Permanent link to this record
 

 
Author Marguí, E.; van Meel, K.; Van Grieken, R.; Buendía, A.; Fontás, C.; Hidalgo, M.; Queralt, I. doi  openurl
  Title Method for the determination of Pd-catalyst residues in active pharmaceutical ingredients by means of high-energy polarized-beam energy dispersive X-ray fluorescence Type A1 Journal article
  Year 2009 Publication Analytical chemistry Abbreviated Journal  
  Volume 81 Issue 4 Pages 1404-1410  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract (down) In medicinal chemistry, Pd is perhaps the most-widely utilized precious metal, as catalyst in reactions which represent key transformations toward the synthesis of new active pharmaceutical ingredients (APIs). The disadvantage of this metal-catalyzed chemistry is that expensive and toxic metal residues are invariably left bound to the desired product. Thus, stringent regulatory guidelines exist for the amount of residual Pd that a drug candidate is allowed to contain. In this work, a rapid and simple method for the determination of Pd in API samples by high-energy polarized-beam energy dispersive X-ray fluorescence spectrometry has been developed and validated according to the specification limits of current legislation (10 mg kg−1 Pd) and the International Conference on Harmonisation of Technical Requirements for Registration of Pharmaceuticals for Human Use (ICH guidelines). Sample and calibration standards preparation includes a first step of homogenization and then, in a second step, the pressing of the powdered material into pellets without any chemical treatment. The use of several synthetic calibration standards made of cellulose to simulate the API matrix appears to be an effective means to obtain reliable calibration curves with a good spread of data points over the working range. With the use of the best measuring conditions, the limit of detection (0.11 mg kg−1 Pd) as well as the limit of quantitation (0.37 mg kg−1 Pd) achieved meet rigorous requirements. The repeatability of the XRF measurement appeared to be less than 2%, while the precision of the whole method was around 7%. Trueness was evaluated by analyzing spiked API samples at the level of the specification limit and calculating the recovery factor, which was better than 95%. To study the applicability of the developed methodology for the intended purpose, three batches of the studied API were analyzed for their Pd content, and the attained results were comparable to those obtained by the daily routine method (acid digestion plus atomic spectroscopy) used in most pharmaceutical laboratories.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000263319000015 Publication Date 2009-01-22  
  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 Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:74340 Serial 8220  
Permanent link to this record
 

 
Author Zhu, W.; Van Tendeloo, M.; De Paepe, J.; Vlaeminck, S.E. pdf  url
doi  openurl
  Title Comparison of typical nitrite oxidizing bacteria suppression strategies and the effect on nitrous oxide emissions in a biofilm reactor Type A1 Journal article
  Year 2023 Publication Bioresource technology Abbreviated Journal  
  Volume 387 Issue Pages 129607-129609  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract (down) In mainstream partial nitritation/anammox (PN/A), suppression of nitrite oxidizing bacteria (NOB) and mitigation of N2O emissions are two essential operational goals. The N2O emissions linked to three typical NOB suppression strategies were tested in a covered rotating biological contactor (RBC) biofilm system at 21 degrees C: (i) low dissolved oxygen (DO) concentrations, and treatments with (ii) free ammonia (FA), and (iii) free nitrous acids (FNA). Low emerged DO levels effectively minimized NOB activity and decreased N2O emissions, but NOB adaptation appeared after 200 days of operation. Further NOB suppression was successfully achieved by periodic (3 h per week) treatments with FA (29.3 & PLUSMN; 2.6 mg NH3-N L-1) or FNA (3.1 & PLUSMN; 0.3 mg HNO2-N L-1). FA treatment, however, promoted N2O emissions, while FNA did not affect these. Hence, biofilm PN/A should be operated at relatively low DO levels with periodic FNA treatment to maximize nitrogen removal efficiency while avoiding high greenhouse gas emissions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001063180200001 Publication Date 2023-08-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0960-8524 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 11.4 Times cited Open Access Not_Open_Access: Available from 21.02.2024  
  Notes Approved Most recent IF: 11.4; 2023 IF: 5.651  
  Call Number UA @ admin @ c:irua:199051 Serial 8843  
Permanent link to this record
 

 
Author Muys, M. openurl 
  Title Microbial protein as sustainable feed and food ingredient : production and nutritional quality of phototrophs and aerobic heterotrophs Type Doctoral thesis
  Year 2019 Publication Abbreviated Journal  
  Volume Issue Pages 262 p.  
  Keywords Doctoral thesis; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract (down) In iets meer dan 30 jaar moeten we tot 50% meer eiwit produceren, terwijl onze conventionele lineaire voedselproductieketen reeds de grenzen van duurzaamheid overschrijdt. Microbieel eiwit (MP), de eiwitrijke biomassa van micro-organismen, werd onderzocht als nieuw voeder en voedselingrediënt in een circulaire eiwitproductieketen. MP-productie kan gebaseerd zijn op primaire grondstoffen om zo de inefficiënte stappen in de huidige eiwitproductie over te slaan, of de productie kan gebaseerd zijn op secundaire grondstoffen afkomstig van de verliezen in de conventionele productieketen (bijvoorbeeld afvalwater). Zowel indirecte als directe strategiën voor nutriëntenherwinning kunnen geïdentificeerd worden. Indirecte nutriëntenherwinning werd onderzocht door struviet toe te passen als fosfor- en stikstofbron voor MP-productie. Struviet, een herwinningsproduct in de afvalwaterzuivering, bleek een hoge zuiverheidsgraad te hebben waardoor het een uitstekende selectieve barrière vormt tussen afvalstroom en MP productie. Oplossingssnelheden en MP groei-experimenten toonden aan dat struviet gemakkelijk gedoseerd kan worden in functie van de microbiële nutriëntenbehoeftes, waarnaast problemen vermeden worden gerelateerd aan de turbiditeit van nevenstromen, wat de productie van fototrofe MP mogelijk maakt. Daarnaast werd ook directe nutriëntenherwinning onderzocht. Hierbij werden de voedingswaarde en veiligheid geanalyseerd van biomassa bestaande uit aerobe heterotrofe bacteriën (AHB) afkomstig van effluentzuivering van 25 bedrijven in de voedings- en drankensector. Verder werd ook de temporele variabiliteit in kaart gebracht. Er werd een veelbelovend eiwitgehalte geobserveerd waarvan de variabiliteit aanzienlijke was. Verder werd aangetoond dat het eiwitgehalte positief gecorreleerd was met stikstofbelasting en negatief met slibverblijftijd, wat een indicatie is dat de implementatie van een geoptimaliseerd productieproces, de biomassakwaliteit gevoelig kan verhogen. Bovendien was de veiligheid als veevoeder gegarandeerd op vlak van de meeste contaminanten. In het daarop volgende hoofdstuk werd de variabiliteit in voedingswaarde en veiligheid bestudeerd van commerciële fototrofe MP (de microalgen Chlorella en Spirulina), gekweekt op primaire grondstoffen. De waargenomen variabiliteit in voedingswaarde vereist verdere optimalisatie van het productieproces. Er werd ook waargenomen dat een hoog eiwitgehalte geen hoge totale voedingswaarde impliceert, omdat de verteerbaarheid en de eiwitkwaliteit nog steeds ongunstig kunnen zijn. Op basis van gemeten contaminanten geeft een veilige consumptiedosis aan dat microalgen perfect kunnen worden geconsumeerd als volwaardige eiwitbron in plaats van als supplement, hun huidige hoofdtoepassing. In een laatste experimenteel hoofdstuk werd onderzocht hoe de variabiliteit in biomassakwaliteit van microalgen kan worden gereduceerd en hoe een stabiele, hoogwaardige biomassaproductie kan worden bekomen. De invloed van oogsttijd, operationele modus en fotoperiode werd bepaald op de productiviteit van biomassa, eiwit en essentiële aminozuren en er werden optimale productieparameters geïdentificeerd. Samengevat is MP-productie op basis van indirecte en directe nutriëntenherwinning veelbelovend. Verdere technologische ontwikkelingen en het verhogen van bewustwording en sociale acceptatie, moeten een verdere introductie van MP in de voeder- en voedingsmarkt faciliteren. Hier kan MP een belangrijke oplossing vertegenwoordigen om de exponentieel groeiende wereldbevolking op een duurzame manier te voeden.  
  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 no  
  Call Number UA @ admin @ c:irua:160717 Serial 8244  
Permanent link to this record
 

 
Author Borms, L.; Multani, M.; Bachus, K.; Dams, Y.; Brusselaers, J.; Van Passel, S. url  doi
openurl 
  Title Using natural language processing to monitor circular activities and employment Type A1 Journal article
  Year 2024 Publication Sustainable Production and Consumption Abbreviated Journal  
  Volume 46 Issue Pages 42-53  
  Keywords A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM); Herman Deleeck Centre for Social Policy  
  Abstract (down) In Europe, NACE codes are used for the official classification of sectors, however, the circular economy is not sufficiently captured in this classification. Therefore, this paper improves previous attempts for defining circular activities and jobs by web scraping techniques applied to each company in Belgium. We analyze their first, second, and third official NACE codes and compare these to the NACE codes they should have been allocated to according to the web scraping data. Subsequently, we calculate circularity scores for every sector to construct an indicator for the number of circular companies and jobs. The results show that the number of circular companies is lower than the baseline from official statistics when we only consider the companies' first and main NACE code. The estimates are higher than the baseline when we also take the second and third NACE codes into account and the estimated number of circular jobs is far higher than the baseline. This research upgrades previous classifications of circular sectors and demonstrates how web scraping and novel data might improve our understanding and capacity to build data. Based on the results in this paper, we recommend a uniform data collection such as reporting standards, and an inclusion of all circular strategies in sectoral classifications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001198897900001 Publication Date 2024-02-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2352-5509 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 12.1 Times cited Open Access  
  Notes Approved Most recent IF: 12.1; 2024 IF: NA  
  Call Number UA @ admin @ c:irua:204552 Serial 9241  
Permanent link to this record
 

 
Author Admasu, W.F.; Boerema, A.; Nyssen, J.; Minale, A.S.; Tsegaye, E.A.; Van Passel, S. url  doi
openurl 
  Title Uncovering ecosystem services of expropriated land : the case of urban expansion in Bahir Dar, Northwest Ethiopia Type A1 Journal article
  Year 2020 Publication Land Abbreviated Journal  
  Volume 9 Issue 10 Pages 395-20  
  Keywords A1 Journal article; Engineering Management (ENM); Ecosystem Management  
  Abstract (down) In Ethiopia, urban expansion happens at high rates and results in land expropriations often at the cost of agriculture and forests. The process of urban expansion does not include assessment of ecosystem services (ES). This has been causing unintended environmental problems. This study aims to uncover ES of three most important land use types (cropland, agroforestry, and grassland) that are threatened by land expropriation for urban expansion in Bahir Dar City. The study applied a participatory approach using community perception and expert judgments (N = 108). Respondents were asked to locate their perceptions on the use of 35 different ES, and then to evaluate the potential of the land use. Respondents were shown to have the ability to differentiate between ES and land use in terms of their potential to deliver ES. The results show that agroforestry is expected to have a high relevant potential to deliver 31% of all ES, but cropland 20% and grassland 14%. Food, fodder, timber, firewood, fresh water, energy, compost, climate regulation, erosion prevention, and water purification and treatment were identified as the ten most important services. It is not only the provisioning services that are being supplied by the land use types which are expropriated for urbanization, but also regulating, supporting and cultural services. To ensure sustainable urban land development, we suggest the consideration of the use of ES and the potential of the land use to supply ES when making land use decisions, including land expropriation for urban expansion.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000586875900001 Publication Date 2020-10-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:173628 Serial 6948  
Permanent link to this record
 

 
Author Admasu, W.F.; Van Passel, S.; Minale, A.S.; Tsegaye, E.A.; Nyssen, J. pdf  url
doi  openurl
  Title Nexus between land development and the value of ecosystem services in Ethiopia : a contingent valuation study Type A1 Journal article
  Year 2023 Publication Environment, development and sustainability Abbreviated Journal  
  Volume Issue Pages 1-21  
  Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)  
  Abstract (down) In Ethiopia, the state owns all lands within the territory of the country. Cities are incorporating large parcels of land from their surrounding rural agricultural areas through land expropriation. However, these land developments do not consider the nonmarket value of ecosystem services (ES), which is causing a deterioration of the existing ES and reduction on the potential supply of ES from agricultural land. The aim of this study was to estimate the monetary value of nonmarketable ES from the agricultural land using a double-bounded dichotomous choice contingent valuation method. A survey of 524 smallholder farmers was conducted. In the survey, respondents were asked to state their willingness to pay for the improvement of some of the nonmarketable ES: erosion control, air and climate regulation, water regulation, and soil fertility. The estimation was carried out using a bivariate probit model. The results revealed that farmers are willing to pay on average 276 ETB (7.9 USD) per hectare per year for a period of 10 years. We found that individual characteristics such as age, family size, and a recent land expropriation experience adversely affect the willingness to pay by the farmers. On the other hand, individuals with higher income and larger land size are willing to pay more. In general, the study indicated that the nonmarket ES, which are affected by the land expropriation for urban expansion, are valuable for the farmers. Therefore, we recommend that the government consider the value of nonmarketable ES in its land use decisions and hence achieve sustainable land development.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000907898700002 Publication Date 2023-01-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1387-585x; 1573-2975 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.9 Times cited Open Access Not_Open_Access: Available from 05.01.2024  
  Notes Approved Most recent IF: 4.9; 2023 IF: NA  
  Call Number UA @ admin @ c:irua:193432 Serial 7363  
Permanent link to this record
 

 
Author Liao, Z.L.; Green, R.J.; Gauquelin, N.; Gonnissen, J.; Van Aert, S.; Verbeeck, J.; et al. openurl 
  Title Engineering properties by long range symmetry propagation initiated at perovskite heterostructure interface Type A1 Journal article
  Year 2016 Publication Advanced functional materials Abbreviated Journal Adv Funct Mater  
  Volume Issue Pages 1-25  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract (down) In epitaxial thin film systems, the crystal structure and its symmetry deviate from the bulk counterpart due to various mechanisms such as epitaxial strain and interfacial structural coupling, which induce an accompanying change in their properties. In perovskite materials, the crystal symmetry can be described by rotations of 6-fold coordinated transition metal oxygen octahedra, which are found to be altered at interfaces. Here, we unravel how the local oxygen octahedral coupling (OOC) at perovskite heterostructural interfaces initiates a different symmetry in epitaxial films and provide design rules to induce various symmetries in thin films by careful selecting appropriate combinations of substrate/buffer/film. Very interestingly we discovered that these combinations lead to symmetry changes throughout the full thickness of the film. Our results provide a deep insight into understanding the origin of induced crystal symmetry in a perovskite heterostructure and an intelligent route to achieve unique functional properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1616-301x ISBN Additional Links UA library record  
  Impact Factor 12.124 Times cited Open Access  
  Notes Approved Most recent IF: 12.124  
  Call Number UA @ lucian @ c:irua:134842 Serial 4176  
Permanent link to this record
 

 
Author Van de Vijver, E.; Van Meirvenne, M.; Vandenhaute, L.; Delefortrie, S.; De Smedt, P.; Saey, T.; Seuntjens, P. doi  openurl
  Title Urban soil exploration through multi-receiver electromagnetic induction and stepped-frequency ground penetrating radar Type A1 Journal article
  Year 2015 Publication Environmental science : processes & impacts Abbreviated Journal  
  Volume 17 Issue 7 Pages 1271-1281  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract (down) In environmental assessments, the characterization of urban soils relies heavily on invasive investigation, which is often insufficient to capture their full spatial heterogeneity. Non-invasive geophysical techniques enable rapid collection of high-resolution data and provide a cost-effective alternative to investigate soil in a spatially comprehensive way. This paper presents the results of combining multi-receiver electromagnetic induction and stepped-frequency ground penetrating radar to characterize a former garage site contaminated with petroleum hydrocarbons. The sensor combination showed the ability to identify and accurately locate building remains and a high-density soil layer, thus demonstrating the high potential to investigate anthropogenic disturbances of physical nature. In addition, a correspondence was found between an area of lower electrical conductivity and elevated concentrations of petroleum hydrocarbons, suggesting the potential to detect specific chemical disturbances. We conclude that the sensor combination provides valuable information for preliminary assessment of urban soils.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000357793300008 Publication Date 2015-06-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7887; 2050-7895 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:127130 Serial 8715  
Permanent link to this record
 

 
Author Geerts, R.; Vandermoere, F.; Halet, D.; Van Winckel, T.; Joos, P.; Van Den Steen, K.; Van Meenen, E.; Blust, R.; Vlaeminck, S.E. file  openurl
  Title Ik drink (geen) afval! Een exploratieve studie naar socio-demografische verschillen in publieke steun voor het hergebruik van afvalwater in Vlaanderen Type A1 Journal article
  Year 2020 Publication Vlaams tijdschrift voor overheidsmanagement Abbreviated Journal  
  Volume Issue 3 Pages 51-69  
  Keywords A1 Journal article; Sociology; Sustainable Energy, Air and Water Technology (DuEL); Centre for Research on Environmental and Social Change  
  Abstract (down) In een context van stijgende waterschaarste verkennen wij, naar ons weten voor het eerst in Vlaanderen, publieke steun voor de behandeling en het hergebruik van afvalwater als drinkwater. Vlaanderen is vandaag een van de weinige regio’s waar afvalwater reeds gerecycleerd wordt voor drinkwaterdoeleinden. Dit gebeurt op kleinschalig niveau en de uitbreiding hiervan is vandaag een van de Vlaamse beleidsdoelstellingen. Internationale voorbeelden toonden echter dat een gebrek aan publieke steun een aanzienlijk obstakel kan zijn. Vaak worden gezondheids- en veiligheidsbezorgdheden aangehaald als oorzaak voor het beperkte draagvlak. Minder is geweten over de socio-demografische distributie van dit draagvlak. Daarbovenop blijft er onduidelijkheid over de samenhang tussen socio-demografische kenmerken en gezondheids- en veiligheidsbezorgdheden. Met behulp van een enquête uitgevoerd in Vlaanderen (N=2309), bestudeerden wij ten eerste deze socio-demografische verschillen op basis van bivariate associaties (gender, opleidingsniveau, leeftijd en woonplaats). Ten tweede construeerden we een padmodel om te onderzoeken of deze verschillen verklaard kunnen worden aan de hand van gezondheids- en veiligheidsbezorgdheden. Onze resultaten toonden dat publieke steun voor afvalwaterhergebruik voor drinkwaterdoeleinden in Vlaanderen beperkt is. Het draagvlak was het laagst bij oudere mensen, vrouwen, lager geschoolde groepen en mensen die niet in de Provincie Antwerpen wonen. Voor een groot deel konden socio-demografische verschillen verklaard worden door hogere gezondheids- en veiligheidsbezorgdheden bij vrouwen, lager geschoolden en mensen uit West- en Oost-Vlaanderen. Dit suggereert een gebrek aan vertrouwen in waterexperts en -technologie bij bepaalde socio-demografische groepen, wat zich vertaalt in een verminderde publieke steun voor afvalwaterhergebruik. Op basis van deze bevindingen bespreken we een aantal potentiële actiestrategieën om publieke oppositie te anticiperen en proactief publieke steun te verwerven via doelgerichte (risico)communicatie.  
  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 1373-0509 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:171478 Serial 6541  
Permanent link to this record
 

 
Author Van Borman, W.; Wouters, L.; Van Grieken, R.; Adams, F. pdf  doi
openurl 
  Title Lead particles in an urban atmosphere : an individual particle approach Type A1 Journal article
  Year 1990 Publication The science of the total environment Abbreviated Journal  
  Volume 90 Issue Pages 55-66  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract (down) In air particulate matter, sampled at a suburban site near the city of Antwerp, Belgium, more than 1500 individual Pb-containing aerosol particles with projected diameters between 0.2 and 15 μm were analyzed by automated electron probe X-ray micro analysis (EPXMA) for 26 elements and morphological features. Laser microprobe mass analysis (LAMMA) was used to detect elements with Z < 11, particularly ammonium compounds. The Pb-containing particles were classified into five main classes: Pb-sulfates, Pb-halides, soil related Pb, Pb associated with medium atomic number elements and Pb associated with high atomic number elements. Each class was divided into several distinct particle types, of which the abundance (in number and mass %), the mean projected particle diameter, and the chemical composition were determined. Auto exhaust products are responsible for Pb-sulfates and Pb-halides, making up respectively 66.7 and 27.8% by mass of the Pb-containing particles. Ammonium sulfate coatings were found to be present on nearly all Pb particles. The observations were correlated with daily concentrations of Pb and Br, obtained by particle induced X-ray emission analysis (PIXE).  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos A1990CJ43500005 Publication Date 2003-09-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0048-9697; 1879-1026 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:116651 Serial 8169  
Permanent link to this record
 

 
Author Kummamuru, N.B. url  openurl
  Title Methane and hydrogen storage in clathrate hydrates Type Doctoral thesis
  Year 2024 Publication Abbreviated Journal  
  Volume Issue Pages XXV, 260 p.  
  Keywords Doctoral thesis; Engineering sciences. Technology; Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS)  
  Abstract (down) In a world increasingly reliant on alternative energy sources, the quest for efficient and secure storage solutions is paramount. This doctoral thesis explores the exciting potential of a familiar material – water – to act as a vault for next-generation energy sources like hydrogen (H2) and methane (CH4). Nature offers a solution in the form of clathrate hydrates, fascinating cage-like structures formed from water molecules that can trap these gas molecules within their framework. This research investigates on improving the formation kinetics and gas storage capabilities of clathrate hydrates utilizing porous materials and the interstitial space between non-porous materials to augment the contact between gas and water thereby catalysing the growth of hydrates and unlocking their full potential as efficient and secure energy storage reservoirs. A key outcome of this research is the formulation of an empirical correlation, offering predictive insights into CH4 hydrate phase equilibrium conditions. Innovative approaches utilizing thermally conductive beads have yielded substantial enhancements in CH4 uptake. Furthermore, the identification of optimal water content within porous materials showcases a pathway to maximize CH4 storage capacity and hydrate growth kinetics. In the domain of hydrogen storage, attention is also directed towards unstirred systems, where the integration of functionalized porous materials has demonstrated a significant improvement in the rate of hydrate formation and the overall H2 storage capacity. A noteworthy achievement of this research lies in the successful storage of H2 within confined CH4 hydrates through a gas exchange process and the preliminary results show the potential for safer and more sustainable method for H2 storage at mild thermodynamic conditions, offering promising prospects for future energy systems.  
  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:206258 Serial 9160  
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Author Leysen, L.A.; Roekens, E.J.; Storms, H.; Van Grieken, R.E. pdf  doi
openurl 
  Title Classification of suspended particles in deposition samples and run-off water samples from a limestone cathedral Type A1 Journal article
  Year 1987 Publication Atmospheric environment Abbreviated Journal  
  Volume 21 Issue 11 Pages 2425-2433  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract (down) In a study on the mechanism of the air-pollution induced deterioration of the limestone St. Rombouts cathedral in Mechelen, Belgium, automated electron-probe X-ray micro-analysis combined with multivariate analysis was used to characterize the suspension particles in run-off water and in local wet and dry deposition samples. Altogether about 10,000 individual particles were sized, analyzed and classified, according to their chemical composition. It was found that the run-off water samples were highly enriched in CaCO3 particles, resulting from the stone-erosion by overflowing rainwater, while the Si-rich group was the most abundant one in the deposition samples. Several other particle types were found. Ion chromatography analysis of the run-off water showed 2001700mg l−1 of sulphate and 20110mg l−1 of nitrate.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2003-08-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0004-6981 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:116454 Serial 7670  
Permanent link to this record
 

 
Author Christis, M.; Geerken, T.; Vercalsteren, A.; Vrancken, K.C.M. pdf  doi
openurl 
  Title Improving footprint calculations of small open economies : combining local with multi-regional input-output tables Type A1 Journal article
  Year 2017 Publication Economic systems research Abbreviated Journal  
  Volume 29 Issue 1 Pages 25-47  
  Keywords A1 Journal article; Economics; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract (down) In a small, open and resource-poor economy, import and export dependency have an ever-growing impact on local policy decisions, which makes local (environmental) policy-makers increasingly depend on global data. This increases the interest in models that link local production and consumption data to global production, trade and environmental data. The recent increase in availability of global environmentally extended multi-regional input-output tables (EE-MRIO tables) provides an opportunity to link them with existing local environmentally extended input-output tables (EE-RIO tables). These combined tables make it possible (1) to analyse the links between local and global production and consumption and (2) to study global value chains, material use and environmental impacts simultaneously. However, estimations using input-output (I-O) analyses contain errors due to imperfect databases. In this article the magnitude of specification, aggregation and time errors are estimated and compared. The results show the need to combine local datasets with multi-regional ones and show that highest detailed (country and sector levels) as well as time series of I-O tables are the way forward for using I-O analyses in local policy-making. The paper provides guidance on trading off investments in model adoption and/or extension and the reliability of estimation results.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000395062800002 Publication Date 2016-11-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-5314 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:142012 Serial 8071  
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Author Bjørnåvold, A.; David, M.; Mermet-Bijon, V.; Beaumais, O.; Crastes dit Sourd, R.; Van Passel, S.; Martinet, V. url  doi
openurl 
  Title To tax or to ban? A discrete choice experiment to elicit public preferences for phasing out glyphosate use in agriculture Type A1 Journal article
  Year 2023 Publication PLoS ONE Abbreviated Journal  
  Volume 18 Issue 3 Pages 1-12  
  Keywords A1 Journal article; Economics; Engineering Management (ENM)  
  Abstract (down) In 2023, the European Union will vote on the reauthorization of glyphosate use, renewed in 2017 despite concern on impacts on the environment and public health. A ban is supported by several Member States but rejected by most farmers. What are citizens’ preferences to phase out glyphosate? To assess whether taxation could be an alternative to a ban, we conducted a discrete choice experiment in five European countries. Our results reveal that the general public is strongly willing to pay for a reduction in glyphosate use. However, while 75.5% of respondents stated to support a ban in the pre-experimental survey, experimental results reveal that in 73.35% of cases, earmarked taxation schemes are preferred when they lead to a strong reduction in glyphosate use for an increase in food price lower than that induced by a ban. When glyphosate reduction is balanced against its costs, a tax may be preferred.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000985134400084 Publication Date 2023-03-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-6203 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.7 Times cited Open Access  
  Notes Approved Most recent IF: 3.7; 2023 IF: 2.806  
  Call Number UA @ admin @ c:irua:196999 Serial 9236  
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Author Caen, J.; Cagno, S.; Janssens, K. isbn  openurl
  Title The stained-glass panel depicting the anointing at Bethany : art historical research, technical analysis, and treatment Type H2 Book chapter
  Year 2013 Publication Abbreviated Journal  
  Volume Issue Pages 247-257  
  Keywords H2 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)  
  Abstract (down) In 2008, Museum M in Louvain (Flanders, Belgium) acquired a panel depicting The Anointing at Bethany that is believed once to have adorned the citys former Charterhouse. The panel required conservation treatment, which was preceded by a thorough art-historical and technical examination. It emerged that comparable panels are kept at the Metropolitan Museum of Art and the Riverside Church in New York. Chemical analyses show most of the glass in the panel to have a typical 16th century high-limelow-alkali composition. The conservation treatment was based on the evaluation of these findings and focused very strongly on enhancing the aesthetic balance for an improved reading of the panel.  
  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 978-90-8932-113-8 Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:114605 Serial 5847  
Permanent link to this record
 

 
Author Barbiellini, B.; Kuriplach, J.; Saniz, R. url  doi
openurl 
  Title Study of rechargeable batteries using advanced spectroscopic and computational techniques Type Editorial
  Year 2021 Publication Condensed Matter Abbreviated Journal  
  Volume 6 Issue 3 Pages 26  
  Keywords Editorial; Electron microscopy for materials research (EMAT)  
  Abstract (down) Improving the efficiency and longevity of energy storage systems based on Li- and Na-ion rechargeable batteries presents a major challenge. The main problems are essentially capacity loss and limited cyclability. These effects are due to a hierarchy of factors spanning various length and time scales, interconnected in a complex manner. As a consequence, and in spite of several decades of research, a proper understanding of the ageing process has remained somewhat elusive. In recent years, however, combinations of advanced spectroscopy techniques and first-principles simulations have been applied with success to tackle this problem. In this Special Issue, we are pleased to present a selection of articles that, by precisely applying these methods, unravel key aspects of the reduction-oxidation reaction and intercalation processes. Furthermore, the approaches presented provide improvements to standard diagnostic and characterisation techniques, enabling the detection of possible Li-ion flow bottlenecks causing the degradation of capacity and cyclability.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000699368400001 Publication Date 2021-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2410-3896 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:181630 Serial 6890  
Permanent link to this record
 

 
Author Nematollahi, P.; Neyts, E.C. url  doi
openurl 
  Title Linking bi-metal distribution patterns in porous carbon nitride fullerene to its catalytic activity toward gas adsorption Type A1 Journal article
  Year 2021 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel  
  Volume 11 Issue 7 Pages 1794  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract (down) Immobilization of two single transition metal (TM) atoms on a substrate host opens numerous possibilities for catalyst design. If the substrate contains more than one vacancy site, the combination of TMs along with their distribution patterns becomes a design parameter potentially complementary to the substrate itself and the bi-metal composition. By means of DFT calculations, we modeled three dissimilar bi-metal atoms (Ti, Mn, and Cu) doped into the six porphyrin-like cavities of porous C24N24 fullerene, considering different bi-metal distribution patterns for each binary complex, viz. TixCuz@C24N24, TixMny@C24N24, and MnyCuz@C24N24 (with x, y, z = 0-6). We elucidate whether controlling the distribution of bi-metal atoms into the C24N24 cavities can alter their catalytic activity toward CO2, NO2, H-2, and N-2 gas capture. Interestingly, Ti2Mn4@C24N24 and Ti2Cu4@C24N24 complexes showed the highest activity and selectively toward gas capture. Our findings provide useful information for further design of novel few-atom carbon-nitride-based catalysts.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000676140500001 Publication Date 2021-07-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2079-4991 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.553 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 3.553  
  Call Number UA @ admin @ c:irua:180372 Serial 8174  
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