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Author Gielis, J. openurl 
  Title Er bestaan geen absurde, irrationele, onregelmatige of onderling niet-onmeetbare meetkundige getallen Type A2 Journal article
  Year 2021 Publication Wiskunde en onderwijs Abbreviated Journal  
  Volume 47 Issue 188 Pages 23-33  
  Keywords A2 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
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  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2032-0485 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access (up)  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:183083 Serial 7934  
Permanent link to this record
 
 
Author Cui, Z. file  openurl
  Title Experimental and theoretical study on SF6 degradation by packed-bed DBD plasma Type Doctoral thesis
  Year 2021 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Sulfur hexafluoride (SF6), as a man-made gas, is widely used in power industry, semiconductor industry and metal-processing industry. However, SF6 is a greenhouse gas and its global warming potential is 23500 times that of CO2. Besides, SF6 is very stable, with a lifetime in the atmosphere for more than one thousand years. Under natural conditions, only the ultraviolet light can make it slowly decomposed. Thus, the emission of SF6 has a great threat to the environment. In recent years, with the development of our national economy, the use of SF6 increased dramatically. And 90% of the SF6 emissions come from the power industry. In the meantime, the emission of SF6 exists a ‘hysteresis effect’, as many of the SF6-gas insulation equipment will retire in next decades, the emission of SF6 may increase sharply, and this may put great pressure on the environment. Therefore, it’s necessary to make efforts in controlling and treating the SF6 emission. Among the SF6 abatement technologies, the non-thermal plasma(NTP) represented by the dielectric barrier discharge(DBD) can effectively degrade SF6 and is suitable for large-scale industry applications. However, its energy efficiency still gets room for improvement and this kind of method has a defect that it’s hard to regulate the degradation by-products. Therefore, this paper proposed the combination of the packed bed reactor and the DBD technology to form a packed DBD discharge system for SF6 degradation, so that to further improve the energy efficiency and regulate the selectivity of by-products. By experiment and simulation research, the following innovations have been achieved: (1) Based on the packed bed DBD platform, the power parameter and gas-phase parameters of SF6 degradation were studied. It was found that the discharge process was significantly enhanced with the addition of packing particles, and the discharge energy efficiency was improved. The increase of input voltage can obviously increase the degradation rate, but reduces the energy efficiency. The increase of SF6 initial concentration and gas flow rate can improve the energy efficiency, but reduce the degradation rate. Therefore, both degradation rate and energy efficiency should be considered in deciding basic experimental conditions. (2) Active gases, such as O2, H2O and NH3, could effectively promote the degradation rate of SF6, and changed the product selectivity. In our packed bed DBD system, O2 and H2O have the optimal concentration conditions, which are 2% and 1%, respectively. The addition of O2 can promote the generation of S-O-F products, and inhibit the selectivity of SO2, while the addition of H2O had the opposite effects. In addition, the synergistic degradation of NH3 and SF6 will produce solid products, such as NH3HF, NH4HF2 and elemental S. For gaseous products, the increase of NH3 will lead to the generation of SO2 in the final degradation products and inhibit the generation of S-O-F products. (3) Different kinds of packing materials have great impacts on the degradation system in the discharge parameters, degradation rate and energy efficiency, as well as the products distribution. In the experiment, we compared the degradation results in three systems: glass beads packing, γ-Al2O3 packing and no-packing system. The packing of glass beads effectively improved the discharge voltage amplitude and discharge power, while had a limited effect on the equivalent capacitance of the dielectric. Besides, γ-Al2O3 packing had little effect on voltage amplitude, but obviously increased the equivalent capacitance of the dielectric. Furthermore, the degradation rate and energy efficiency in γ-Al2O3 system was higher than that of glass bead system. For products selectivity, γ-Al2O3 system was more desirable, where S-O-F type of product selectivity was suppressed and the SO2 selectivity increased significantly. By contrast, the glass beads system hardly affected the product selectivity. This results are presumably due to the relatively high dielectric constant of γ-Al2O3 particles and γ-Al2O3 itself may act as a reactant or a catalyst participating in the degradation reactions. (4) The size and status of the packing particles also have significant effects on the degradation process. The systems packed with 1, 2 and 4mm γ-Al2O3 particles for SF6 degradation were compared, and the 2mm system had the best performance, which may because the 2mm system had a good balance between the active contact area and the gas residence time. In addition, the packing pellets suffered from a hydration process slightly reduced the discharge parameters in the γ-Al2O3 packing system and significantly reduced the degradation rate was, which may because the H2O molecules pre-occupied the active sites on the γ-Al2O3 surface and reduced the discharge process. (5) Based on density functional theory (DFT), the degradation process of SF6 in the packed bed DBD system was studied at atomic scale. It was found that the SF6 can occur a physical adsorption at AlⅢ active sites on γ-Al2O3 surface. The activation barrier for the first degradation step of SF6 on γ-Al2O3 surface is much lower than in gas phase, which proved that the SF6 molecule is activated on the γ-Al2O3 surface. In addition, the plasma may affect the γ-Al2O3 surface to generate excess electrons or external electric fields. This two effects can change the adsorbed SF6 molecules from physical adsorption to chemisorption, together with an obvious stretching of S-F bonds, indicating that the plasma surface effects prmote the activation and decomposition of SF6 molecules. Furthermore, the stepwise degradation process of SF6 on γ-Al2O3 surface were investigated. The influence of radicals produced by plasma on the degradation process was analyzed. It was found that via Eley–Rideal (ER) reactions, high-energy radicals could effectively reduce the activation barriers and promote the surface reactions. Finally, the degradation mechanism of SF6 molecules in the packed bed plasma system was summarized, which may provide a theoretical basis for the study of harmless degradation of SF6. Keywords: SF6; Packed Bed DBD; Discharge Parameters; Products Analysis; Degradation Mechanism  
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  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:180819 Serial 7946  
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Author Gielis, J.; Shi, P.; Beirinckx, B.; Caratelli, D.; Ricci, P.E. file  openurl
  Title Lamé-Gielis curves in biology and geometry Type P3 Proceeding
  Year 2021 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords P3 Proceeding; Sustainable Energy, Air and Water Technology (DuEL)  
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  Series Editor Series Title Abbreviated Series Title  
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  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access (up)  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:178828 Serial 8145  
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Author Zhu, W. url  openurl
  Title Microbial resource management for mainstream partial nitritation/anammox : strategies to enhance the nitrogen conversion efficiency Type Doctoral thesis
  Year 2021 Publication Abbreviated Journal  
  Volume Issue Pages 207 p.  
  Keywords Doctoral thesis; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract This thesis provides three potential ways to enhance the nitrogen removal efficiency of mainstream partial nitritation/anammox (PN/A), a key technology to enable energy-positive sewage treatment. In Chapter 1, the typical technologies to promote nitrogen removal efficiency are summarized. In Chapters 2 and 3, the concept ‘winter bioaugmentation with stored summer surplus sludge’ is proposed. Applying that, a cost-effective sludge preservation strategy is required. Preserving PN/A biomass without cooling and redox adjustment proved to be the cost-effective strategy. The reactivation of these stored sludges was also tested in low-temperature systems (15 and 10℃). Respectively 56% and 41% of granules activity compared to pre-storage activity (after Arrhenius-based temperature correction) could be recovered within a month (41% and 32% for flocs activity). In the end, the stored AnAOB bioaugmentation was successfully validated in the lab (20℃). In Chapter 4, a return-sludge nursery concept, applying the sidestream nitritation and blending the resulting effluent with mainstream effluent to achieve an intermediate temperature and nitrogen concentrations, is proposed. That led to a 33 – 36% increase in nitrogen removal efficiency. Arrhenius’ expectations (10 ℃ higher temperature, θ = 1.09) could only explain 49-51% of the activity increase in the nursery reactor, pointing to the role of other factors, e.g., the ~400% elevated electrical conductivity (15-16%), the 56-335% higher effluent nitrogen concentrations (12-14%), and the synergy and unknown factors (20-23%). Thus, the return-sludge biostimulation approach could also enhance nitrogen efficiency in the mainstream. In Chapter 5, the N2O emissions, linked to three typical nitrite-oxidizing bacteria (NOB) suppression strategies (low dissolved oxygen (DO) level, free ammonia (FA), and free nitrous acids (FNA) treatments) were tested in a biofilm system. A low emerged DO level (~0.60 mg O2 L-1) was effective to suppress NOB activity and decrease N2O emissions, but NOB adaptation gradually appeared after 200 days. Further NOB inhibition was successfully achieved by periodical (3 hours per week) FA (~30 mg NH3-N L-1) or FNA (~3 mg HNO2-N L-1) treatments. The FA treatment promoted N2O production, while the FNA treatment had no effect. Thus, PN/A systems should be operated at relatively low DO levels with periodical FNA treatment. In Chapter 6, the major findings proposed and the main conclusions drawn in this thesis are outlined. Beyond that, the possible design of a mainstream PN/A configuration that combined all described three technologies is demonstrated. Overall, the novel insights from this thesis potential to improve nitrogen removal efficiency in the mainstream.  
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  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:184236 Serial 8245  
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Author Marchetti, A. url  openurl
  Title Novel insights and approaches for the analytical characterization of tangible cultural heritage objects Type Doctoral thesis
  Year 2021 Publication Abbreviated Journal  
  Volume Issue Pages 333 p.  
  Keywords Doctoral thesis; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Cultural heritage represents the vehicle of our cultural identity, handed over from past to future generations throughout human history. As a repository of fundamental cultural and social values, the preservation of all forms of cultural heritage is a responsibility of every society and of humankind as a whole. When it comes to tangible cultural heritage, preservation of heritage translates into preservation of objects and, therefore, of the materials they are constituted of. This crucial task relies heavily on the application of scientific analytical methods to answer material and conservation-related questions. ​ ​ The fundamental contribution of this analytical approach led, in the past decades, to an ever-deepening understanding of the factors governing the degradation of cultural heritage. However, the extreme complexity of the heritage object-environment system results in a massive research field, which inevitably presents relevant open questions. This is where the present PhD work comes into play, attempting to fill knowledge gaps in literature by starting from specific case studies and un-answered research questions. ​ ​ The multianalytical research conducted during this PhD unraveled fundamental information on the properties governing the reactivity and long-term behavior of different classes of materials, from α-brass in an indoor environment to artists’ pigments in the presence of light, moisture and soluble particulate matter (PM). The paramount importance of the synthesis conditions on the composition, physical properties and reactivity of heritage materials was also demonstrated, in particular for stable lead pyroantimonate and unstable Geranium lake artists’ pigments. Moreover, the study and characterization of specific heritage objects, namely a series of 16th century reliquary altarpieces and the painting L’Arlesienne, by Vincent Van Gogh, allowed to obtain relevant insights into their composition and on potential risks for their conservation. The challenging nature of the samples considered, created the perfect opportunity to test an innovative spectroscopic technique, optical photo-thermal IR (O-PTIR), for the characterization of heritage materials. Striking results were obtained, highlighting a great potential for the application of this non-destructive sub-micron molecular spectroscopy to the analysis of cultural heritage. Finally, in the last section of this work, strategies to implement the continuous monitoring of PM levels in indoor environmental quality studies were also considered, with a particular focus on the identification of environmental hazards for the collections housed in specific conservation environments (War Heritage Institute in Brussels and St. Martin’s church in Aalst, BE).  
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  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:177849 Serial 8319  
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Author Cong, S. file  openurl
  Title Numerical study on low-pressure hollow cathode argon arc plasma Type Doctoral thesis
  Year 2021 Publication Abbreviated Journal  
  Volume Issue Pages XIX, 126 p.  
  Keywords Doctoral thesis; Philosophy; Educational sciences; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The low-pressure hollow cathode discharge made of a hollow circular tube and an anode is a type of simple structure discharge system. In particular, under the arc discharge mode, hollow cathodes have high plasma density and energy density with a wide range of adaptability of pressure and current. Low-pressure hollow cathode arc (HCA) discharges have been widely used as plasma sources in various fields such as manufacturing, vacuum welding, and aerospace since the 1960s. Despite the early experimental and applied researches on low-pressure HCA discharges, the basic theoretical study was relatively lagged much behind, resulting in many unanswered questions, such as the optimal discharge operating parameters, the power deposition inside the cathode, the causes of plasma instability, and how to effectively reduce cathode erosion and so on. Due to the special discharge structure of the hollow cathode, it is difficult to make an accurate experimental diagnosis, so a reasonable numerical simulation is an effective study method. However, up to now, there is still a lack of complete and effective numerical models which can evaluate various physical fields in the low-pressure hollow cathode discharges. To address the above problems and difficulties, a comprehensive and self-consistent 2D multi-physical coupling numerical model based on a commercial program of finite element method, the COMSOL Multiphysics, was provided in this paper. The model involves plasma transport, arc flow and heat transfer, and cathode thermal equilibrium, and can consider the effect of an applied magnetic field. The processes of secondary electron emission, thermal-field electron emission, ions and backflow high-energy electrons bombardment, and thermal radiation from the cathode surface are considered in the cathode thermal equilibrium process. Based on the above background, this paper works from the following aspects： In Chapter 1, the basic concepts of low-pressure HCA discharge including the hollow cathode effect, the basic characteristics, and operation modes were introduced firstly; Secondly, the application fields, development history, and overseas and domestic research status of hollow cathode discharge were reviewed; finally, the problems were presented and the research background was explained, and the research purpose of this paper was clarified. In Chapter 2, a complete and self-consistent numerical model of low-pressure hollow cathode discharge was proposed based on the fundamental theory and assumptions, and the set of control equations and boundary conditions in the model were elaborated. In addition, the electron energy distribution function, the collision processes, the solving tools of this model, and calculation schemes were introduced in detail. Finally, a validation example was given to test the rationality and applicability of the numerical model. In Chapter 3, the fundamental plasma properties of low-pressure hollow cathode arcs were investigated. Firstly, the ion Joule heating effect was studied. The results showed that the temperature distributions of the arc and cathode are only able to approach the experimental measurements after considering the ion Joule heating, which shows that the Joule heating of ions is crucial for the heating of the arc plasma. Secondly, by comparing the radial distribution of electron and ion density inside the cathode, the structure of the cathode sheath could be simulated well using this model. Finally, it was shown that the thermal radiation from the cathode surface is an important cooling mechanism of the cathode and only under higher surface emissivity can balance the larger heat flow given by the plasma to the cathode, and the temperature distribution of the cathode shows a non-monotonic increasing trend and is consistent with the profile of experimental measurement so that the so-called active zone is formed. In Chapter 4, the power deposition in the low-pressure HCA was studied in simulation. Two main aspects were considered: the power deposition into particles (both electrons and heavy particles) and the power deposition onto the cathode. It was found that the deposited power into particles increases with the rise of discharge current, but there is no effect on the total power deposition onto the cathode. In high-density plasmas, Coulomb collisions between electrons and ions also become very important, especially since a portion of the deposition energy on heavy particles comes mainly from the energy transfer from electrons to ions. It was also found that regardless of external parameters, half of the power deposition onto the cathode always comes from the particle contribution, while the other half is the net contribution of heat transfer and cathode radiation. The HCA model also allows the simulation of multiple discharge modes for low-pressure HCA discharges over a wide range of gas flow rates. It was also shown that the discharge operating conditions and the external magnetic field can change the distribution of the particle flow on the cathode wall. In Chapter 5, the ion sputtering erosion process on the cathode was simulated by coupling the HCA numerical model with the moving grid technique. The results showed that the ion sputtering erosion on the cathode depends on the ion flux and the plasma potential near the cathode wall and that their distribution and magnitude jointly determine the erosion morphology of the cathode. It was also found that the location of the most severe erosion on the cathode is located in the region of the densest ion flux on the cathode wall, rather than in the longitudinal correspondence with the central region of the internal positive column (IPC). The external magnetic fields can mitigate the cathode erosion and reduce the erosion depth, but stronger magnetic fields lead to a concentration of current density at the cathode tip, which can enhance erosion slightly at the cathode outlet end. Finally, the conclusions and innovation highlights were summarized, and prospects for future work were discussed.  
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  Impact Factor Times cited Open Access (up)  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:178725 Serial 8323  
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Author Van Hal, M. url  openurl
  Title Photo(electro)catalytic air purification and soot degradation with simultaneous energy recovery Type Doctoral thesis
  Year 2021 Publication Abbreviated Journal  
  Volume Issue Pages XXXII, 203 p.  
  Keywords Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Today’s society is increasingly challenged by a range of urgent environmental problems. Air pollution is one of these pressing topics. This thesis will mainly focus on the degradation of volatile organic compounds (VOCs) and particulate matter (PM) – more specifically soot. A second globally urging topic is the quest for sustainable energy production. To simultaneously target both environmental problems, a photoelectrochemical (PEC) cell will be studied in this thesis, combining air purification and sustainable energy production in a single device. Photocatalysis is used at the anode of the PEC cell to drive the air purification process, while the energy contained in the degraded compounds is (partially) recovered at the cathode, either as H2 gas or electricity. The first two experimental chapters focus on the proof of concept of such an unbiased all-gas phase PEC cell targeting VOC degradation, using both TiO2- and WO3-based photocatalysts. In the two following experimental chapters the photocatalytic soot oxidation capacity of these TiO2- and WO3-based photocatalysts was studied. In the final experimental chapter the previously obtained results were combined, striving towards an efficient, sunlight-driven and soot-degrading waste gas-to-energy PEC cell.  
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  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:184521 Serial 8378  
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Author Daems, E. url  openurl
  Title Shaping up oligonucleotides : aptamer-target recognition investigated by native mass spectrometry Type Doctoral thesis
  Year 2021 Publication Abbreviated Journal  
  Volume Issue Pages 235 p.  
  Keywords Doctoral thesis; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Aptamers are short, synthetic DNA or RNA molecules that are characterized by a specific 3D conformation which enables specific target recognition. Aptamers are promising tools in many application fields from sensing to therapeutics. One of the major challenges in the aptamer field is understanding the relationship between the sequence and what determines the higher-order structure and specific interactions with targets. Therefore, this PhD thesis focuses on the use of different mass spectrometry (MS) based approaches to characterize aptamers and their interactions. Several of these approaches are already widely applied to study other biomolecules, such as proteins, but are still largely unexplored for aptamers and oligonucleotides in general. A first focus was put on obtaining information on the higher-order structure and conformational stability of aptamers using a combination of MS and with ion mobility (IM) spectrometry by performing collision-induced unfolding (CIU) experiments. CIU was shown to hold great promise to analyze the conformational dynamics and gas-phase stabilities of aptamers. Next, the capabilities and limitations of native IM-MS for the analysis of noncovalent interactions of aptamers were demonstrated. The conformational behavior and interactions of cocaine-binding aptamers were studied and it was found that relative binding affinities of aptamers that only differ slightly in sequence and structure can be determined using native MS. Moreover, native IM-MS allowed the detection of small conformational changes upon binding of a target, which were found to be dependent on the binding mode of the aptamer. An adaptive binding mechanism was suggested for flexible aptamers that require more reorganization upon binding. In the final part of this thesis, the importance of thoroughly characterizing and validating aptamer-target interactions before using them in an application was emphasized. Moreover, the gathered insights were applied in our own development of a proof-of-concept aptamer-based sensor. This was shown by investigating the interactions of ampicillin aptamers which were found to not bind the target they were selected for in the first place. A multi-analytical approach combining complementary techniques was used for this purpose since no single technique is generally applicable to characterize all aptamers and their interactions and to obtain a comprehensive picture of the aptamer-target interactions. Furthermore, such multi-analytical approach was used to characterize a testosterone-binding aptamer while developing an aptamer-based electrochemiluminescent sensing strategy for this target. This shows the importance of native MS, in combination with other techniques, to thoroughly understand the aptamer-target interactions in the development of a designed application.  
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  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:178116 Serial 8517  
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Author Van Loenhout, J. url  openurl
  Title Targeting pancreatic ductal adenocarcinoma and glioblastoma with oxidative stress-mediated treatment strategies : focus on tumor cell death and modulation of the tumor microenvironment Type Doctoral thesis
  Year 2021 Publication Abbreviated Journal  
  Volume Issue Pages 167 p.  
  Keywords Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Center for Oncological Research (CORE)  
  Abstract Pancreatic ductal adenocarcinoma (PDAC) and glioblastoma multiforme (GBM) are two of the most malignant solid tumor types with poor survival rates, which underscore the urgency of novel and efficacious treatment strategies. Within the last decade, immunotherapy has been established as a breakthrough in cancer therapy. This mainly has been driven by the clinical data and approval associated with several immune checkpoint inhibitors (e.g. anti-CTLA-4 and anti-PD-1/L1). Despite the clinical benefit in specific tumor types, these inhibitors have not yet fulfilled their promise in low immunogenic tumors such as PDAC and GBM. Oxidative stress in cancer cells due to elevated reactive oxygen species (ROS) and an inability to balance intracellular redox state has recently been highlighted as promising target for anticancer treatment strategies with possible immunogenic effects. In this PhD dissertation, I investigated novel oxidative stress-mediated treatment approaches to target PDAC and GBM and to enhance immunogenicity by inducing immunogenic cell death (ICD). In the first part of this thesis (chapter 2), I reviewed the mechanistic responses of cancer cells towards different oxidative stress-inducing treatment strategies and their immunomodulating effects. The resulting literature demonstrated that different exogenous and endogenous ROS-inducing therapies show direct and indirect immunomodulating effects, which can be either immunostimulatory or immunosuppressive. One of the indirect immunostimulatory effects of the ROS-mediating therapies is the capacity of inducing immunogenic cell death (ICD) in tumor cells, which can increase the immunogenicity and consequently can trigger an antitumoral immune response. In chapter 3, I investigated a novel exogenous ROS-inducing treatment method, namely cold atmospheric plasma, to determine the therapeutic and ICD-inducing effects in PDAC, in vitro. I revealed that plasma-treated PBS (pPBS) has the potential to induce ICD in pancreatic cancer cells (PCCs) and to reduce the immunosuppressive tumor microenvironment (TME) by attacking the tumor supportive pancreatic stellate cells (PSCs). Although the cell death induced in PSCs was non-immunogenic as seen by the lack of danger-associated molecular patterns (DAMPs) emission and DC activation, I showed that pPBS could disrupt the physical barrier and lower the immunosuppressive secretion profile (lower TGF-β) of PSCs. In contrast, DAMPs were released by PCCs after treatment with pPBS which resulted in activation and maturation of DCs and a more immunostimulatory secretion profile (higher TNF-α, IFN-γ). Hence, indirect plasma treatment via pPBS has the potential to enhance immunogenicity in PDAC by triggering ICD and by attacking the immunosuppressive PSCs. Tumor cells can evolve adaptation mechanisms to protect themselves against intrinsic oxidative stress by upregulation of pro-survival molecules and their antioxidant defense system to maintain the redox balance. As such, tumor cells can become resistant towards exogenous ROS-inducing therapies, like plasma. Dual targeting of the redox balance of tumor cells by increasing exogenous levels of ROS and inhibiting the antioxidant defense system can maximally exploit ROS-mediated cell death mechanisms as therapeutic anticancer strategy. In this regard, cold atmospheric plasma was combined with auranofin, a thioredoxin reductase inhibitor, in GBM (chapter 4). A synergistic effect was shown after this combination treatment in 2D and 3D, however, in 3D only high concentrations of auranofin synergized with plasma treatment. I confirmed a ROS-mediated response after combination treatment, which was able to induce distinct cell death mechanisms, specifically apoptosis and ferroptosis. Additionally, the auranofin and plasma combined treatment strategy induced cell death, which resulted in an increased release of DAMPs. Together with the observed DC maturation, these results indicates the potential increase in immunogenicity, though, the phagocytotic capacity of DCs was inhibited by auranofin. In chapter 5, I evaluated this promising oxidative stress combination therapy in GBM, in vivo. A decrease in tumor kinetics and an increased survival in GBM-bearing mice was observed when auranofin was sequentially combined with direct plasma treatment. No T cell infiltration was observed after auranofin monotherapy. However, further characterization of the TME after the combination therapy is necessary to provide more insight in the immunogenic effects in vivo. In conclusion, this PhD dissertation comprises novel and important therapeutic and immunogenic insights in cold atmospheric plasma and auranofin as promising oxidative stress-mediated treatment strategies for low immunogenic tumors, like PDAC and GBM. These preclinical results provide a solid basis for future research towards combinations with immunotherapeutic approaches.  
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  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:181309 Serial 8643  
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Author Kleinhans, K.; Hallemans, M.; Huysveld, S.; Thomassen, G.; Ragaert, K.; Van Geem, K.M.; Roosen, M.; Mys, N.; Dewulf, J.; De Meester, S. pdf  doi
openurl 
  Title Development and application of a predictive modelling approach for household packaging waste flows in sorting facilities Type A1 Journal Article
  Year 2021 Publication Waste Management Abbreviated Journal Waste Management  
  Volume 120 Issue Pages 290-302  
  Keywords A1 Journal Article; Engineering Management (ENM) ;  
  Abstract Household packaging waste sorting facilities consist of complex networks of processes to separate diverse waste streams. These facilities are a key first step to re-enter materials into the recycling chain. However, so far there are no general methods to predict the performance of such sorting facilities, i.e.

how efficiently the heterogeneous packaging waste is sorted into fractions with value for further recycling. In this paper, a model of the material flow in a sorting facility is presented, which allows changing the incoming waste composition, split factors on the sorting units as well as the setup of the sorting facility. The performance of the sorting facility is judged based on the purity of the output material (grade) and the recovery of the input material. A validation of the model was performed via a case study on Belgian post-consumer packaging waste with a selection of typical waste items that can be found in this stream. Moreover, the model was used to predict the possible sorting qualities of future Belgian postconsumer packaging waste after an extension of the allowed waste packaging items in the waste stream. Finally, a sensitivity analysis was performed on the split factors, which are a key data source in the model. Overall, the developed model is flexible and able to predict the performance of packaging waste sorting facilities as well as support waste management and design for recycling decisions, including future

design of packaging, to ensure proper sorting and separation.		  
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  Language Wos Publication Date 2020-12-16  
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  ISSN 0956053X ISBN Additional Links  
  Impact Factor Times cited Open Access (up) Not_Open_Access  
  Notes We would like to thank Indaver (https://www.indaver.com/been/home/), especially Erik Huybrechts, Eric Goddaert, Eline Meyvis and Erik Moerman, for their great support on this research. Furthermore, we would like to acknowledge the help of Colruyt (https://www.colruyt.be/) and CEFLEX (https://ceflex.eu/) for the pre-studies for this research. Moreover, we would like to show our appreciation for the financial support by the Catalisti-ICON project (HBC.2018.0262) MATTER (Mechanical and Thermochemical Recycling of mixed plastic waste) funded by Flanders Innovation & Entrepreneurship (VLAIO). We also thank the Interreg 2 Seas program PlastiCity that is co-funded by the European Regional Development Fund under subsidy contract No. 2S05-021 and the province of East-Flanders for funding this research. Approved Most recent IF: NA  
  Call Number ENM @ enm @ Serial 6667  
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Author Buchmayr, A.; Verhofstadt, E.; Van Ootegem, L.; Sanjuan Delmás, D.; Thomassen, G.; Dewulf, J. url  doi
openurl 
  Title The path to sustainable energy supply systems: Proposal of an integrative sustainability assessment framework Type A1 Journal Article
  Year 2021 Publication Renewable & Sustainable Energy Reviews Abbreviated Journal Renew Sust Energ Rev  
  Volume 138 Issue Pages 110666  
  Keywords A1 Journal Article; Engineering Management (ENM) ;  
  Abstract Energy supply is essential for the functioning and well-being of a society. Decision-makers are faced with the challenge to balance burdens and benefits of energy supply practices with the aim to achieve environmental, economic, and social sustainability. Literature exhibits a broad variety of sustainability assessment frameworks for energy supply technologies. However, there is no consensus on which aspects need to be covered for a comprehensive assessment of sustainability. While some aspects, such as environmental emission damage, receive predominant attention, there is a lack of coverage and adequate quantification for others. This led in the past to an unbalanced basis for decision-making.

Based on an analysis of literature, 12 impact categories were identified for the assessment of energy technologies. The analysis included the judgement of quantification approaches regarding their significance for describing the impact categories and their maturity resulting in the proposal of 12 concrete indicators. A framework is proposed to manage and integrate the assessment of single impact categories. The framework produces normalized and weighted output indicators to use in the form of a dashboard or alternatively a single sustainability index for informed decision-making.

Finally, the proposed sustainability assessment framework relies on life cycle, local impact, and supply chain risks assessment. It consists of both well-established assessment methods as well as suggestions for new indicators in order to allow a full assessment of all impact categories. It thereby goes beyond the isolated assessment of impacts and offers the basis for comparison of complete energy supply mixes.		  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2020-12-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1364-0321 ISBN Additional Links  
  Impact Factor 8.05 Times cited Open Access (up) Not_Open_Access  
  Notes The authors acknowledge the financial support received from the Special Research Fund (Bijzonder Onderzoeksfonds – BOF) of Ghent University under grant agreement number BOF.24Y.2018.003. Approved Most recent IF: 8.05  
  Call Number ENM @ enm @ Serial 6680  
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Author Thomassen, G.; Huysveld, S.; Boone, L.; Vilain, C.; Geysen, D.; Huysman, K.; Cools, B.; Dewulf, J. url  doi
openurl 
  Title The environmental impact of household's water use: A case study in Flanders assessing various water sources, production methods and consumption patterns Type A1 Journal Article
  Year 2021 Publication Science Of The Total Environment Abbreviated Journal Sci Total Environ  
  Volume 770 Issue Pages 145398  
  Keywords A1 Journal Article; Engineering Management (ENM) ;  
  Abstract Responsible water use and sustainable consumption and production are high on the agenda of multiple stakeholders. Different water supply sources are available, including tap water, bottled water, domestically harvested rainwater and domestically abstracted groundwater. The extent to which each of these water supply sources is used, differs over consumption patterns in various housing types, being detached houses, semi-detached houses, terraced houses and apartments. To identify the environmental impact of a household's water use and potential environmental impact reduction strategies, a holistic assessment is required. In this paper, the environmental impact of a household's water use in Flanders (Belgium) was assessed including four different water supply sources and four different consumption patterns by means of a life cycle assessment. The outcomes of this study reveal a large difference between the environmental impact of bottled water use, having a global warming impact of 259 kg CO2-eq.·m−3, compared to the other three supply sources. Tap water supply had the lowest global warming impact (0.17 kg CO2-eq.·m−3) and resource footprint (6.51 MJex·m−3) of all water supply sources. The most efficient strategy to reduce the environmental impact of household's water use is to shift the water consumption from bottled to tap water consumption. This would induce a reduction in global warming impact of the water use of an inhabitant in Flanders by on average 80%, saving 0.1 kg CO2-eq.·day−1 in case of groundwater-based tap water. These results provide insights into sustainable water use for multiple consumption patterns and can be used to better frame the environmental benefits of tap water use.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2021-01-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0048-9697 ISBN Additional Links  
  Impact Factor 4.9 Times cited Open Access (up) Not_Open_Access  
  Notes This research did not receive any specific grant from funding agencies in the public, commercial, or not-for-profit sectors. The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper. Approved Most recent IF: 4.9  
  Call Number ENM @ enm @ Serial 6681  
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Author Foumani, A.A.; Forster, D.J.; Ghorbanfekr, H.; Weber, R.; Graf, T.; Niknam, A.R. pdf  doi
openurl 
  Title Atomistic simulation of ultra-short pulsed laser ablation of metals with single and double pulses : an investigation of the re-deposition phenomenon Type A1 Journal article
  Year 2021 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 537 Issue Pages 147775  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The demand for higher throughput in the processing of materials with ultra-short pulsed lasers has motivated studies on the use of double pulses (DP). It has been observed in such studies that at relatively high time delays between the two pulses, the ablated volume is lower than that for a single pulse (SP). This has been attributed to the shielding of the second pulse and the re-deposition of the material removed by the first pulse. The investigation of re-deposition in copper with the aid of atomistic simulations is the main objective of this study. Nevertheless, a computational investigation of SP-ablation and experimental measurement of the SP-ablation depths and threshold fluence are also covered. The applied computational apparatus comprises a combination of molecular dynamics with the two-temperature model and the Helmholtz wave equation. The analysis of the simulation results shows that the derived quantities like the SP-ablation threshold fluence and the ratio of DP ablation depth to SP-ablation depth are in agreement with the experimental values. An important finding of this study is that the characteristics of the re-deposition process are highly dependent on the fluence.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000582798700006 Publication Date 2020-09-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.387 Times cited 2 Open Access (up) Not_Open_Access  
  Notes ; The authors thank the Center for High-Performance Computing at Shahid Beheshti University of Iran (SARMAD) for making available the computational resources required for this work. ; Approved Most recent IF: 3.387  
  Call Number UA @ admin @ c:irua:174299 Serial 6683  
Permanent link to this record
 
 
Author Bafekry, A.; Yagmurcukardes, M.; Shahrokhi, M.; Ghergherehchi, M.; Kim, D.; Mortazavi, B. pdf  doi
openurl 
  Title Electro-optical and mechanical properties of Zinc antimonide (ZnSb) monolayer and bilayer : a first-principles study Type A1 Journal article
  Year 2021 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 540 Issue 1 Pages 148289  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Latest synthesis of ZnSb monolayer, encouraged us to conduct density functional theory (DFT) simulations in order to study the structural, magnetic, electronic/optical and mechanical features of the sp2-hybridized honeycomb ZnSb monolayer (ML-ZnSb) and bilayer (BL-ZnSb). Our structural optimizations reveal that ML-ZnSb is an anisotropic hexagonal structure while BL-ZnSb is composed of shifted ZnSb layers which are covalently binded. ML-ZnSb is found to be a ferromagnetic metal, in contrast BL-ZnSb has a non-magnetic indirect band gap semiconducting ground state. For the in-plane polarization, first absorption peak of ML-ZnSb and BL-ZnSb confirm the absorbance of the light within the infrared domain wand visible range, respectively. Moreover, our results reveal that the layer-layer chemical bonding in BL-ZnSb significantly enhances the mechanical response of ML-ZnSb whose in-plane stiness is the smallest among all 2D materials (2DM). Notably, the strong in-plane anisotropy of ML-ZnSb in its stiness reduces in BL-ZnSb.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000599883200005 Publication Date 2020-11-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.387 Times cited 1 Open Access (up) Not_Open_Access  
  Notes ; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). Computational resources were provided by the Flemish Supercomputer Center (VSC). M.Y. is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship. B.M. and X. Z. appreciate the funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germanys Excellence Strategy within the Cluster of Excellence PhoenixD (EXC 2122, Project ID 390833453). ; Approved Most recent IF: 3.387  
  Call Number UA @ admin @ c:irua:174956 Serial 6688  
Permanent link to this record
 
 
Author Ceyhan, E.; Yagmurcukardes, M.; Peeters, F.M.; Sahin, H. doi  openurl
  Title Electronic and magnetic properties of single-layer FeCl₂ with defects Type A1 Journal article
  Year 2021 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 103 Issue 1 Pages 014106  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The formation of lattice defects and their effect on the electronic properties of single-layer FeCl2 are investigated by means of first-principles calculations. Among the vacancy defects, namely mono-, di-, and three-Cl vacancies and mono-Fe vacancy, the formation of mono-Cl vacancy is the most preferable. Comparison of two different antisite defects reveals that the formation of the Fe-antisite defect is energetically preferable to the Cl-antisite defect. While a single Cl vacancy leads to a 1 mu(B) decrease in the total magnetic moment of the host lattice, each Fe vacant site reduces the magnetic moment by 4 mu(B). However, adsorption of an excess Cl atom on the surface changes the electronic structure to a ferromagnetic metal or to a ferromagnetic semiconductor depending on the adsorption site without changing the ferromagnetic state of the host lattice. Both Cl-antisite and Fe-antisite defected domains change the magnetic moment of the host lattice by -1 mu(B) and +3 mu(B), respectively. The electronic ground state of defected structures reveals that (i) single-layer FeCl2 exhibits half-metallicity under the formation of vacancy and Cl-antisite defects; (ii) ferromagnetic metallicity is obtained when a single Cl atom is adsorbed on upper-Cl and Fe sites, respectively; and (iii) ferromagnetic semiconducting behavior is found when a Cl atom is adsorbed on a lower-Cl site or a Fe-antisite defect is formed. Simulated scanning electron microscope images show that atomic-scale identification of defect types is possible from their electronic charge density. Further investigation of the periodically Fe-defected structures reveals that the formation of the single-layer FeCl3 phase, which is a dynamically stable antiferromagnetic semiconductor, is possible. Our comprehensive analysis on defects in single-layer FeCl2 will complement forthcoming experimental observations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000606969400002 Publication Date 2021-01-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 5 Open Access (up) Not_Open_Access  
  Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and by Flemish Supercomputer Center (VSC). H.S. acknowledges financial support from the Scientific and Technological Research Council of Turkey (TUBITAK) under Project No. 117F095. M.Y. was supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship. ; Approved Most recent IF: 3.836  
  Call Number UA @ admin @ c:irua:176039 Serial 6689  
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Author Jalali, H.; Khoeini, F.; Peeters, F.M.; Neek-Amal, M. doi  openurl
  Title Hydration effects and negative dielectric constant of nano-confined water between cation intercalated MXenes Type A1 Journal article
  Year 2021 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume 13 Issue 2 Pages 922-929  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Using electrochemical methods a profound enhancement of the capacitance of electric double layer capacitor electrodes was reported when water molecules are strongly confined into the two-dimensional slits of titanium carbide MXene nanosheets [A. Sugahara et al., Nat. Commun., 2019, 10, 850]. We study the effects of hydration on the dielectric properties of nanoconfined water and supercapacitance properties of the cation intercalated MXene. A model for the electric double layer capacitor is constructed where water molecules are strongly confined in two-dimensional slits of MXene. We report an abnormal dielectric constant and polarization of nano-confined water between MXene layers. We found that by decreasing the ionic radius of the intercalated cations and in a critical hydration shell radius the capacitance of the system increases significantly (similar or equal to 200 F g(-1)) which can be interpreted as a negative permittivity. This study builds a bridge between the fundamental understanding of the dielectric properties of nanoconfined water and the capability of using MXene films for supercapacitor technology, and in doing so provides a solid theoretical support for recent experiments.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000610368100035 Publication Date 2020-12-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.367 Times cited 3 Open Access (up) Not_Open_Access  
  Notes ; ; Approved Most recent IF: 7.367  
  Call Number UA @ admin @ c:irua:176141 Serial 6690  
Permanent link to this record
 
 
Author Bafekry, A.; Faraji, M.; Hoat, D.M.; Shahrokhi, M.; Fadlallah, M.M.; Shojaei, F.; Feghhi, S.A.H.; Ghergherehchi, M.; Gogova, D. pdf  doi
openurl 
  Title MoSi₂N₄ single-layer : a novel two-dimensional material with outstanding mechanical, thermal, electronic and optical properties Type A1 Journal article
  Year 2021 Publication Journal Of Physics D-Applied Physics Abbreviated Journal J Phys D Appl Phys  
  Volume 54 Issue 15 Pages 155303  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Very recently, the 2D form of MoSi2N4 has been successfully fabricated (Hong et al 2020 Science 369 670). Motivated by these recent experimental results, we investigate the structural, mechanical, thermal, electronic and optical properties of the MoSi2N4 monolayer. The mechanical study confirms the stability of the MoSi2N4 monolayer. The Young's modulus decreases by similar to 30%, while the Poisson's ratio increases by similar to 30% compared to the corresponding values of graphene. In addition, the MoSi2N4 monolayer's work function is very similar to that of phosphorene and MoS2 monolayers. The electronic structure shows that the MoSi2N4 monolayer is an indirect semiconductor with a band gaps of 1.79 (2.35) eV using the GGA (HSE06) functional. The thermoelectric performance of the MoSi2N4 monolayer has been revealed and a figure of merit slightly larger than unity at high temperatures is calculated. The optical analysis shows that the first absorption peak for in-plane polarization is located in the visible range of the spectrum, therefore, the MoSi2N4 monolayer is a promising candidate for advanced optoelectronic nanodevices. In summary, the fascinating MoSi2N4 monoloayer is a promising 2D material for many applications due to its unique physical properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000613849300001 Publication Date 2021-01-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited Open Access (up) Not_Open_Access  
  Notes ; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2015M2B2A4033123). Computational resources were provided by the Flemish Supercomputer Center (VSC) and TUBITAK ULAKBIM, High Performance and Grid Computing Center (Tr-Grid e-Infrastructure). ; Approved Most recent IF: 2.588  
  Call Number UA @ admin @ c:irua:176167 Serial 6693  
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Author Kahraman, Z.; Baskurt, M.; Yagmurcukardes, M.; Chaves, A.; Sahin, H. pdf  doi
openurl 
  Title Stable Janus TaSe₂ single-layers via surface functionalization Type A1 Journal article
  Year 2021 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 538 Issue Pages 148064  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract First-principles calculations are performed in order to investigate the formation of Janus structures of single layer TaSe2. The structural optimizations and phonon band dispersions reveal that the formation and stability of hydrogenated (HTaSe2), fluorinated (FTaSe2), and the one-side hydrogenated and one-side fluorinated (Janus-HTaSe2F) single-layers are feasible in terms of their phonon band dispersions. It is shown that bare metallic single-layer TaSe2 can be turned into a semiconductor as only one of its surface is functionalized while it remains as a metal via its two surfaces functionalization. In addition, the semiconducting nature of single-layers HTaSe2 and FTaSe2 and the metallic behavior of Janus TaSe2 are found to be robust under applied uniaxal strains. Further analysis on piezoelectric properties of the predicted single-layers reveal the enhanced in-plane and out of-plane piezoelectricity via formed Janus-HTaSe2F. Our study indicates that single-layer TaSe2 is a suitable host material for surface functionalization via fluorination and hydrogenation which exhibit distinctive electronic and vibrational properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000595860900001 Publication Date 2020-10-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.387 Times cited Open Access (up) Not_Open_Access  
  Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid eInfrastructure). HS acknowledges support from Turkiye Bilimler Akademisi -Turkish Academy of Sciences under the GEBIP program. This work was supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ; Approved Most recent IF: 3.387  
  Call Number UA @ admin @ c:irua:174964 Serial 6699  
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Author Volykhov, A.A.; Frolov, A.S.; Neudachina, V.S.; Vladimirova, N.V.; Gerber, E.; Callaert, C.; Hadermann, J.; Khmelevsky, N.O.; Knop-Gericke, A.; Sanchez-Barriga, J.; Yashina, L.V. pdf  doi
openurl 
  Title Impact of ordering on the reactivity of mixed crystals of topological insulators with anion substitution: Bi₂SeTe₂ and Sb₂SeTe₂ Type A1 Journal article
  Year 2021 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 541 Issue Pages 148490  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Three-dimensional topological insulators are exotic materials with unique properties. Tetradymite type binary chalcogenides of bismuth and antimony, as well as their mixed crystals, belong to prototypical TIs. Potential device applications of these materials require in-depth knowledge of their stability in the ambient atmosphere and other media maintained during their processing. Here we investigated the reactivity of mixed crystals with anion substitution, Bi-2(Se1-xTex)(3) and Sb2(Se1-xTex)(3), towards molecular oxygen using both in situ and ex situ X-ray photoelectron spectroscopy. The results indicate that, in contrast to cation substitution, partial substitution of tellurium by selenium atoms leads to anomalously high surface reactivity, which even exceeds that of the most reactive binary constituent. We attribute this effect to anion ordering that essentially modifies the bond geometry, especially the respective bond angles as modeled by DFT.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000608492900003 Publication Date 2020-11-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.387 Times cited Open Access (up) Not_Open_Access  
  Notes Approved Most recent IF: 3.387  
  Call Number UA @ admin @ c:irua:176067 Serial 6728  
Permanent link to this record
 
 
Author Yin, L.; Juneja, R.; Lindsay, L.; Pandey, T.; Parker, D.S. doi  openurl
  Title Semihard iron-based permanent-magnet materials Type A1 Journal article
  Year 2021 Publication Physical Review Applied Abbreviated Journal Phys Rev Appl  
  Volume 15 Issue 2 Pages 024012  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Permanent magnets generally require a favorable, but difficult-to-achieve combination of high magnetization, Curie point, and magnetic anisotropy. Thus there have been few, if any, viable permanent magnets developed since the 1982 discovery of Nd2Fe14B [M. Sagawa, S. Fujimura, H. Yamamoto, Y. Matsuura, and S. Hirosawa, J. Appl. Phys. 57, 4094 (1985)]. Here we point out, both by direct first-principles calculations on the iron carbides and silicides Fe5C2, Fe5SiC, and Fe7C3 as well as a discussion of recent experimental findings, that there are numerous rare-earth-free iron-rich potential permanent-magnet materials with sufficient intrinsic magnetic properties to reasonably achieve room-temperature energy products of 20-25 MG Oe. This is substantially better than the performance of the best available rare-earth-free magnets based on ferrite, as well as shape-anisotropy-employing alnico. These magnets could plausibly fill, at low cost, the present performance “gap” [J. M. D. Coey, Scr. Mater. 67, 524 (2012)] between the best rare-earth-free magnets and rare-earth magnets such as Nd2Fe14B and Sm-Co.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000614707800002 Publication Date 2021-02-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2331-7019 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.808 Times cited Open Access (up) Not_Open_Access  
  Notes Approved Most recent IF: 4.808  
  Call Number UA @ admin @ c:irua:176624 Serial 6734  
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Author Liang, Y.-S.; Xue, C.; Zhang, Y.-R.; Wang, Y.-N. doi  openurl
  Title Investigation of active species in low-pressure capacitively coupled N-2/Ar plasmas Type A1 Journal article
  Year 2021 Publication Physics Of Plasmas Abbreviated Journal Phys Plasmas  
  Volume 28 Issue 1 Pages 013510  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In this paper, a self-consistent fluid model is developed focusing on the plasma parameters in capacitively coupled 20% N 2-80% Ar discharges. Measurements of ion density are performed with the help of a floating double probe, and the emission intensities from Ar(4p) and N 2 ( B ) transitions are detected by an optical emission spectroscopy to estimate their relative densities. The consistency between the numerical and experimental results confirms the reliability of the simulation. Then the plasma characteristics, specifically the reaction mechanisms of active species, are analyzed under various voltages. The increasing voltage leads to a monotonous increase in species density, whereas a less homogeneous radial distribution is observed at a higher voltage. Due to the high concentration of Ar gas, Ar + becomes the main ion, followed by the N 2 +</mml:msubsup> ion. Besides the electron impact ionization of neutrals, the charge transfer processes of Ar +/ N 2 and N 2 +</mml:msubsup>/Ar are found to have an impact on the ionic species. The results indicate that adopting the lower charge transfer reaction rate coefficients weakens the Ar + ion density and yields a higher N 2 +</mml:msubsup> ion density. However, the effect on the species spatial distributions and other species densities is limited. As for the excited-state species, the electron impact excitation of background gases remains overwhelming in the formation of Ar(4p), N 2 ( B ), and N 2 ( a ' ), whereas the <mml:msub> N 2 ( A ) molecules are mainly formed by the decay of <mml:msub> N 2 ( B ). In addition, the dissociation of <mml:msub> N 2 collided by excited-state Ar atoms dominates the N generation, which are mostly depleted to produce N + ions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000629931300002 Publication Date 2021-01-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1070-664x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.115 Times cited Open Access (up) Not_Open_Access  
  Notes Approved Most recent IF: 2.115  
  Call Number UA @ admin @ c:irua:177669 Serial 6767  
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Author Wang, W.; Butterworth, T.; Bogaerts, A. pdf  doi
openurl 
  Title Plasma propagation in a single bead DBD reactor at different dielectric constants : insights from fluid modelling Type A1 Journal article
  Year 2021 Publication Journal Of Physics D-Applied Physics Abbreviated Journal J Phys D Appl Phys  
  Volume 54 Issue 21 Pages 214004  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Packed bed dielectric barrier discharge (PB-DBD) plasma reactors are very promising for various plasma catalysis applications, but the exact mechanisms of plasma-catalyst interaction are far from understood, because the plasma discharge and catalyst/packing properties are mutually dependent. To better understand the effect of packing dielectric material on the electrical plasma properties, we study here a single bead DBD plasma reactor operating in dry air, with beads of different dielectric constant and for different applied voltages, by means of fluid modelling validated by optical imaging experiments. Our study reveals that the plasma in the single bead DBD reactor can manifest itself in two different modalities, i.e. (a) polar discharges at the bead poles in contact with the electrodes, and (b) a streamer discharge caused by surface ionization waves, which bridges the gas gap. Beads with high dielectric constant result in localised electric field enhancement and hence yield a reduction of the applied voltage required for plasma production. At low applied voltage, the discharge appears as polar discharges between the bead and the electrodes, and upon higher voltage it undergoes a transition into a bridging streamer discharge. The transition voltage to the streamer mode rises for beads with higher dielectric constant. These observations are important for plasma catalysis applications. A higher dielectric constant yields a higher electric field and thus higher average electron energy and density, giving rise to more reactive species, but it also yields a confined discharge near the contact points of packing beads, limiting the interaction area between the catalyst and the active plasma species. In addition, our model reveals that the dielectric bead behaves as a capacitor and traps charges, which can explain the significant occurrence of partial discharging in PB-DBDs and non-parallelogram shaped Lissajous plots. Hence, equivalent circuit modelling of PB-DBDs should take into account the role of packing beads in charge trapping as a capacitor.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000626451000001 Publication Date 2021-02-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited Open Access (up) Not_Open_Access  
  Notes Approved Most recent IF: 2.588  
  Call Number UA @ admin @ c:irua:177571 Serial 6772  
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Author Fatermans, J.; de Backer, A.; den Dekker, A.J.; Van Aert, S. pdf  doi
isbn  openurl
  Title Atom column detection Type H2 Book chapter
  Year 2021 Publication Advances in imaging and electron physics T2 – Advances in imaging and electron physics Abbreviated Journal  
  Volume Issue Pages 177-214  
  Keywords H2 Book chapter; Electron microscopy for materials research (EMAT); Vision lab  
  Abstract By combining statistical parameter estimation and model-order selection using a Bayesian framework, the maximum a posteriori (MAP) probability rule is proposed in this chapter as an objective and quantitative method to detect atom columns from high-resolution scanning transmission electron microscopy (HRSTEM) images. The validity and usefulness of this approach is demonstrated to both simulated and experimental annular dark-field (ADF) STEM images, but also to simultaneously acquired annular bright-field (ABF) and ADF STEM image data.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2021-03-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume 217 Series Issue Edition  
  ISSN ISBN 978-0-12-824607-8; 1076-5670 Additional Links UA library record  
  Impact Factor Times cited Open Access (up) Not_Open_Access  
  Notes ERC Consolidator project funded by the European Union grant #770887 Picometrics Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:177531 Serial 6775  
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Author de Backer, A.; Fatermans, J.; den Dekker, A.J.; Van Aert, S. pdf  doi
isbn  openurl
  Title Atom counting Type H2 Book chapter
  Year 2021 Publication Advances in imaging and electron physics T2 – Advances in imaging and electron physics Abbreviated Journal  
  Volume Issue Pages 91-144  
  Keywords H2 Book chapter; Electron microscopy for materials research (EMAT); Vision lab  
  Abstract In this chapter, a statistical model-based method to count the number of atoms of monotype crystalline nanostructures from high-resolution annular dark-field (ADF) scanning transmission electron microscopy (STEM) images is discussed in detail together with a thorough study on the possibilities and inherent limitations. We show that this method can be applied to nanocrystals of arbitrary shape, size, and atom type. The validity of the atom-counting results is confirmed by means of detailed image simulations and it is shown that the high sensitivity of our method enables us to count atoms with single atom sensitivity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2021-03-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume 217 Series Issue Edition  
  ISSN ISBN 978-0-12-824607-8; 1076-5670 Additional Links UA library record  
  Impact Factor Times cited Open Access (up) Not_Open_Access  
  Notes ERC Consolidator project funded by the European Union grant #770887 Picometrics Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:177529 Serial 6776  
Permanent link to this record
 
 
Author de Backer, A.; Fatermans, J.; den Dekker, A.J.; Van Aert, S. pdf  doi
isbn  openurl
  Title Efficient fitting algorithm Type H2 Book chapter
  Year 2021 Publication Advances in imaging and electron physics T2 – Advances in imaging and electron physics Abbreviated Journal  
  Volume Issue Pages 73-90  
  Keywords H2 Book chapter; Electron microscopy for materials research (EMAT)  
  Abstract An efficient model-based estimation algorithm is introduced to quantify the atomic column positions and intensities from atomic-resolution (scanning) transmission electron microscopy ((S)TEM) images. This algorithm uses the least squares estimator on image segments containing individual columns fully accounting for overlap between neighboring columns, enabling the analysis of a large field of view. To provide end-users with this well-established quantification method, a user friendly program, StatSTEM, is developed which is freely available under a GNU public license. In this chapter, this efficient algorithm is applied to three different nanostructures for which the analysis of a large field of view is required.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2021-03-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume 217 Series Issue Edition  
  ISSN ISBN 978-0-12-824607-8; 1076-5670 Additional Links UA library record  
  Impact Factor Times cited Open Access (up) Not_Open_Access  
  Notes ERC Consolidator project funded by the European Union grant #770887 Picometrics Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:177528 Serial 6778  
Permanent link to this record
 
 
Author de Backer, A.; Fatermans, J.; den Dekker, A.J.; Van Aert, S. pdf  doi
isbn  openurl
  Title General conclusions and future perspectives Type H2 Book chapter
  Year 2021 Publication Advances in imaging and electron physics T2 – Advances in imaging and electron physics Abbreviated Journal  
  Volume Issue Pages 243-253  
  Keywords H2 Book chapter; Electron microscopy for materials research (EMAT); Vision lab  
  Abstract This chapter provides an overview of statistical and quantitative methodologies that have pushed (scanning) transmission electron microscopy ((S)TEM) toward accurate and precise measurements of unknown structure parameters for understanding the relation between the structure of a material and its properties. Hereby, statistical parameter estimation theory has extensively been used which enabled not only measuring atomic column positions, but also quantifying the number of atoms, and detecting atomic columns as accurately and precisely as possible from experimental images. As a general conclusion, it can be stated that advanced statistical techniques are ideal tools to perform quantitative electron microscopy at the atomic scale. In the future, statistical methods will continue to be developed and novel quantification procedures will open up new possibilities for studying material structures at the atomic scale.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2021-03-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume 217 Series Issue Edition  
  ISSN ISBN 978-0-12-824607-8; 1076-5670 Additional Links UA library record  
  Impact Factor Times cited Open Access (up) Not_Open_Access  
  Notes ERC Consolidator project funded by the European Union grant #770887 Picometrics Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:177533 Serial 6781  
Permanent link to this record
 
 
Author Fatermans, J.; de Backer, A.; den Dekker, A.J.; Van Aert, S. pdf  doi
isbn  openurl
  Title Image-quality evaluation and model selection with maximum a posteriori probability Type H2 Book chapter
  Year 2021 Publication Advances in imaging and electron physics T2 – Advances in imaging and electron physics Abbreviated Journal  
  Volume Issue Pages 215-242  
  Keywords H2 Book chapter; Electron microscopy for materials research (EMAT); Vision lab  
  Abstract The maximum a posteriori (MAP) probability rule for atom column detection can also be used as a tool to evaluate the relation between scanning transmission electron microscopy (STEM) image quality and atom detectability. In this chapter, a new image-quality measure is proposed that correlates well with atom detectability, namely the integrated contrast-to-noise ratio (ICNR). Furthermore, the working principle of the MAP probability rule is described in detail showing a close relation to the principles of model-selection methods.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2021-03-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume 217 Series Issue Edition  
  ISSN ISBN 978-0-12-824607-8; 1076-5670 Additional Links UA library record  
  Impact Factor Times cited Open Access (up) Not_Open_Access  
  Notes ERC Consolidator project funded by the European Union grant #770887 Picometrics Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:177532 Serial 6782  
Permanent link to this record
 
 
Author de Backer, A.; Fatermans, J.; den Dekker, A.J.; Van Aert, S. pdf  doi
isbn  openurl
  Title Introduction Type H2 Book chapter
  Year 2021 Publication Advances in imaging and electron physics T2 – Advances in imaging and electron physics Abbreviated Journal  
  Volume Issue Pages 1-28  
  Keywords H2 Book chapter; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2021-03-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume 217 Series Issue Edition  
  ISSN ISBN 978-0-12-824607-8; 1076-5670 Additional Links UA library record  
  Impact Factor Times cited Open Access (up) Not_Open_Access  
  Notes ERC Consolidator project funded by the European Union grant #770887 Picometrics Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:177525 Serial 6784  
Permanent link to this record
 
 
Author de Backer, A.; Fatermans, J.; den Dekker, A.J.; Van Aert, S. pdf  doi
isbn  openurl
  Title Optimal experiment design for nanoparticle atom counting from ADF STEM images Type H2 Book chapter
  Year 2021 Publication Advances in imaging and electron physics T2 – Advances in imaging and electron physics Abbreviated Journal  
  Volume Issue Pages 145-175  
  Keywords H2 Book chapter; Electron microscopy for materials research (EMAT); Vision lab  
  Abstract In this chapter, the principles of detection theory are used to quantify the probability of error for atom counting from high-resolution scanning transmission electron microscopy (HRSTEM) images. Binary and multiple hypothesis testing have been investigated in order to determine the limits to the precision with which the number of atoms in a projected atomic column can be estimated. The probability of error has been calculated when using STEM images, scattering cross-sections or peak intensities as a criterion to count atoms. Based on this analysis, we conclude that scattering cross-sections perform almost equally well as images and perform better than peak intensities. Furthermore, the optimal STEM detector design can be derived for atom counting using the expression of the probability of error. We show that for very thin objects the low-angle annular dark-field (LAADF) regime is optimal and that for thicker objects the optimal inner detector angle increases.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2021-03-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume 217 Series Issue Edition  
  ISSN ISBN 978-0-12-824607-8; 1076-5670 Additional Links UA library record  
  Impact Factor Times cited Open Access (up) Not_Open_Access  
  Notes ERC Consolidator project funded by the European Union grant #770887 Picometrics Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:177530 Serial 6785  
Permanent link to this record
 
 
Author de Backer, A.; Fatermans, J.; den Dekker, A.J.; Van Aert, S. pdf  doi
isbn  openurl
  Title Statistical parameter estimation theory : principles and simulation studies Type H2 Book chapter
  Year 2021 Publication Advances in imaging and electron physics T2 – Advances in imaging and electron physics Abbreviated Journal  
  Volume Issue Pages 29-72  
  Keywords H2 Book chapter; Electron microscopy for materials research (EMAT); Vision lab  
  Abstract In this chapter, the principles of statistical parameter estimation theory for a quantitative analysis of atomic-resolution electron microscopy images are introduced. Within this framework, electron microscopy images are described by a parametric statistical model. Here, parametric models are introduced for different types of electron microscopy images: reconstructed exit waves, annular dark-field (ADF) scanning transmission electron microscopy (STEM) images, and simultaneously acquired ADF and annular bright-field (ABF) STEM images. Furthermore, the Cramér-Rao lower bound (CRLB) is introduced, i.e. a theoretical lower bound on the variance of any unbiased estimator. This CRLB is used to quantify the precision of the structure parameters of interest, such as the atomic column positions and the integrated atomic column intensities.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2021-03-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume 217 Series Issue Edition  
  ISSN ISBN 978-0-12-824607-8; 1076-5670 Additional Links UA library record  
  Impact Factor Times cited Open Access (up) Not_Open_Access  
  Notes ERC Consolidator project funded by the European Union grant #770887 Picometrics Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:177527 Serial 6788  
Permanent link to this record
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