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Author Hofer, C.; Pennycook, T.J. pdf  url
doi  openurl
  Title Reliable phase quantification in focused probe electron ptychography of thin materials Type A1 Journal Article
  Year 2023 Publication Ultramicroscopy Abbreviated Journal (down) Ultramicroscopy  
  Volume 254 Issue Pages 113829  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract Electron ptychography provides highly sensitive, dose efficient phase images which can be corrected for aberrations after the data has been acquired. This is crucial when very precise quantification is required, such as with sensitivity to charge transfer due to bonding. Drift can now be essentially eliminated as a major impediment to focused probe ptychography, which benefits from the availability of easily interpretable simultaneous Z-contrast imaging. However challenges have remained when quantifying the ptychographic phases of atomic sites. The phase response of a single atom has a negative halo which can cause atoms to reduce in phase when brought closer together. When unaccounted for, as in integrating methods of quantification, this effect can completely obscure the effects of charge transfer. Here we provide a new method of quantification that overcomes this challenge, at least for 2D materials, and is robust to experimental parameters such as noise, sample tilt.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001071608700001 Publication Date 2023-08-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.2 Times cited Open Access  
  Notes FWO, G013122N ; Horizon 2020 Framework Programme; Horizon 2020; European Research Council, 802123-HDEM ; European Research Council; Approved Most recent IF: 2.2; 2023 IF: 2.843  
  Call Number EMAT @ emat @c:irua:200272 Serial 8987  
Permanent link to this record
 

 
Author Lobato, I.; De Backer, A.; Van Aert, S. pdf  url
doi  openurl
  Title Real-time simulations of ADF STEM probe position-integrated scattering cross-sections for single element fcc crystals in zone axis orientation using a densely connected neural network Type A1 Journal article
  Year 2023 Publication Ultramicroscopy Abbreviated Journal (down) Ultramicroscopy  
  Volume 251 Issue Pages 113769  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Quantification of annular dark field (ADF) scanning transmission electron microscopy (STEM) images in terms

of composition or thickness often relies on probe-position integrated scattering cross sections (PPISCS). In

order to compare experimental PPISCS with theoretically predicted ones, expensive simulations are needed for

a given specimen, zone axis orientation, and a variety of microscope settings. The computation time of such

simulations can be in the order of hours using a single GPU card. ADF STEM simulations can be efficiently

parallelized using multiple GPUs, as the calculation of each pixel is independent of other pixels. However, most

research groups do not have the necessary hardware, and, in the best-case scenario, the simulation time will

only be reduced proportionally to the number of GPUs used. In this manuscript, we use a learning approach and

present a densely connected neural network that is able to perform real-time ADF STEM PPISCS predictions as

a function of atomic column thickness for most common face-centered cubic (fcc) crystals (i.e., Al, Cu, Pd, Ag,

Pt, Au and Pb) along [100] and [111] zone axis orientations, root-mean-square displacements, and microscope

parameters. The proposed architecture is parameter efficient and yields accurate predictions for the PPISCS

values for a wide range of input parameters that are commonly used for aberration-corrected transmission

electron microscopes.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001011617200001 Publication Date 2023-06-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 2.2 Times cited Open Access OpenAccess  
  Notes This work was supported by the European Research Council (Grant 770887 PICOMETRICS to S. Van Aert). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G034621N and G0A7723N) and a postdoctoral grant to A. De Backer. S. Van Aert acknowledges funding from the University of Antwerp Research fund (BOF), Belgium. Approved Most recent IF: 2.2; 2023 IF: 2.843  
  Call Number EMAT @ emat @c:irua:197275 Serial 8812  
Permanent link to this record
 

 
Author Denisov, N.; Jannis, D.; Orekhov, A.; Müller-Caspary, K.; Verbeeck, J. pdf  url
doi  openurl
  Title Characterization of a Timepix detector for use in SEM acceleration voltage range Type A1 Journal article
  Year 2023 Publication Ultramicroscopy Abbreviated Journal (down) Ultramicroscopy  
  Volume 253 Issue Pages 113777  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Hybrid pixel direct electron detectors are gaining popularity in electron microscopy due to their excellent properties. Some commercial cameras based on this technology are relatively affordable which makes them attractive tools for experimentation especially in combination with an SEM setup. To support this, a detector characterization (Modulation Transfer Function, Detective Quantum Efficiency) of an Advacam Minipix and Advacam Advapix detector in the 15–30 keV range was made. In the current work we present images of Point Spread Function, plots of MTF/DQE curves and values of DQE(0) for these detectors. At low beam currents, the silicon detector layer behaviour should be dominant, which could make these findings transferable to any other available detector based on either Medipix2, Timepix or Timepix3 provided the same detector layer is used.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001026912700001 Publication Date 2023-06-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 2.2 Times cited Open Access OpenAccess  
  Notes The authors acknowledge the financial support of the Research Foundation Flanders (FWO, Belgium) project SBO S000121N. The authors are grateful to Dr. Lobato for productive discussion of methods. Approved Most recent IF: 2.2; 2023 IF: 2.843  
  Call Number EMAT @ emat @c:irua:198258 Serial 8815  
Permanent link to this record
 

 
Author Van den Broek, W.; Jannis, D.; Verbeeck, J. pdf  url
doi  openurl
  Title Convexity constraints on linear background models for electron energy-loss spectra Type A1 Journal Article
  Year 2023 Publication Ultramicroscopy Abbreviated Journal (down) Ultramicroscopy  
  Volume 254 Issue Pages 113830  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract In this paper convexity constraints are derived for a background model of electron energy loss spectra (EELS) that is linear in the fitting parameters. The model outperforms a power-law both on experimental and simulated backgrounds, especially for wide energy ranges, and thus improves elemental quantification results. Owing to the model’s linearity, the constraints can be imposed through fitting by quadratic programming. This has important advantages over conventional nonlinear power-law fitting such as high speed and a guaranteed unique solution without need for initial parameters. As such, the need for user input is significantly reduced, which is essential for unsupervised treatment of large datasets. This is demonstrated on a demanding spectrum image of a semiconductor device sample with a high number of elements over a wide energy range.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2023-08-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links UA library record  
  Impact Factor 2.2 Times cited Open Access Not_Open_Access  
  Notes ECSEL, 875999 ; Horizon 2020; Horizon 2020 Framework Programme; Electronic Components and Systems for European Leadership; Approved Most recent IF: 2.2; 2023 IF: 2.843  
  Call Number EMAT @ emat @c:irua:200588 Serial 8961  
Permanent link to this record
 

 
Author Shi, P.; Wang, L.; Quinn, B.K.K.; Gielis, J. url  doi
openurl 
  Title A new program to estimate the parameters of Preston's equation, a general formula for describing the egg shape of birds Type A1 Journal article
  Year 2023 Publication Symmetry Abbreviated Journal (down) Symmetry-Basel  
  Volume 15 Issue 1 Pages 231-10  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Preston's equation is a general model describing the egg shape of birds. The parameters of Preston's equation are usually estimated after re-expressing it as the Todd-Smart equation and scaling the egg's actual length to two. This method assumes that the straight line through the two points on an egg's profile separated by the maximum distance (i.e., the longest axis of an egg's profile) is the mid-line. It hypothesizes that the photographed egg's profile is perfectly bilaterally symmetrical, which seldom holds true because of photographic errors and placement errors. The existing parameter estimation method for Preston's equation considers an angle of deviation for the longest axis of an egg's profile from the mid-line, which decreases prediction errors to a certain degree. Nevertheless, this method cannot provide an accurate estimate of the coordinates of the egg's center, and it leads to sub-optimal parameter estimation. Thus, it is better to account for the possible asymmetry between the two sides of an egg's profile along its mid-line when fitting egg-shape data. In this paper, we propose a method based on the optimization algorithm (optimPE) to fit egg-shape data and better estimate the parameters of Preston's equation by automatically searching for the optimal mid-line of an egg's profile and testing its validity using profiles of 59 bird eggs spanning a wide range of existing egg shapes. We further compared this method with the existing one based on multiple linear regression (lmPE). This study demonstrated the ability of the optimPE method to estimate numerical values of the parameters of Preston's equation and provide the theoretical egg length (i.e., the distance between two ends of the mid-line of an egg's profile) and the egg's maximum breadth. This provides a valuable approach for comparing egg shapes among conspecifics or across different species, or even different classes (e.g., birds and reptiles), in future investigations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000927531000001 Publication Date 2023-01-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2073-8994 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.7 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 2.7; 2023 IF: 1.457  
  Call Number UA @ admin @ c:irua:195347 Serial 7279  
Permanent link to this record
 

 
Author Marchetti, A.; Gori, A.; Ferretti, A.M.; Esteban, D.A.; Bals, S.; Pigliacelli, C.; Metrangolo, P. pdf  url
doi  openurl
  Title Templated Out‐of‐Equilibrium Self‐Assembly of Branched Au Nanoshells (Small 12/2023) Type A1 Journal Article
  Year 2023 Publication Small Abbreviated Journal (down) Small  
  Volume 19 Issue 12 Pages  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract Out-of-equilibrium self-assembly of metal nanoparticles (NPs) has been devised using different

types of strategies and fuels, but the achievement of finite 3D structures with a controlled

morphology through this assembly mode is still rare. Here we used a spherical peptide-gold

superstructure (PAuSS) as a template to control the out-of-equilibrium self-assembly of Au NPs,

obtaining a transient 3D branched Au-nanoshell (BAuNS) stabilized by sodium dodecyl sulphate

(SDS). The BAuNS dismantled upon concentration gradient equilibration over time in the solution,

leading to NPs disassembly. Notably, BAuNS assembly and disassembly favoured temporary

interparticle plasmonic coupling, leading to a remarkable oscillation of their optical properties.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2023-03-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1613-6810 ISBN Additional Links UA library record  
  Impact Factor 13.3 Times cited Open Access Not_Open_Access  
  Notes P.M. is grateful to the European Research Council (ERC) for the Starting Grant ERC-2012- StG_20111012 FOLDHALO (Grant Agreement no. 307108) and the Proof-of-Concept Grant ERC-2017-PoC MINIRES (Grant Agreement no.789815). A. M. and P. M. are thankful to the project Hydrogex funded by Cariplo Foundation (grant no. 2018-1720). D.A.E. and S.B. acknowledges financial support from ERC Consolidator Grant Number 815128 REALNANO and Grant Agreement No. 731019 (EUSMI). Approved Most recent IF: 13.3; 2023 IF: 8.643  
  Call Number EMAT @ emat @c:irua:200859 Serial 8960  
Permanent link to this record
 

 
Author Yu, CP.; Vega Ibañez, F.; Béché, A.; Verbeeck, J. url  doi
openurl 
  Title Quantum wavefront shaping with a 48-element programmable phase plate for electrons Type A1 Journal Article
  Year 2023 Publication SciPost Physics Abbreviated Journal (down) SciPost Phys.  
  Volume 15 Issue Pages 223  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT)  
  Abstract We present a 48-element programmable phase plate for coherent electron waves produced by a combination of photolithography and focused ion beam. This brings the highly successful concept of wavefront shaping from light optics into the realm of electron optics and provides an important new degree of freedom to prepare electron quantum states. The phase plate chip is mounted on an aperture rod placed in the C2 plane of a transmission electron microscope operating in the 100-300 kV range. The phase plate's behavior is characterized by a Gerchberg-Saxton algorithm, showing a phase sensitivity of 0.075 rad/mV at 300 kV, with a phase resolution of approximately 3x10e−3π. In addition, we provide a brief overview of possible use cases and support it with both simulated and experimental results.  
  Address  
  Corporate Author Thesis  
  Publisher SciPost Place of Publication Editor  
  Language English Wos 001116838500002 Publication Date 2023-12-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2542-4653 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.5 Times cited 1 Open Access  
  Notes This project is the result of a long-term effort involving many differ- ent sources of funding: JV acknowledges funding from an ERC proof of concept project DLV- 789598 ADAPTEM, as well as a University IOF proof of concept project towards launching the AdaptEM spin-off and the eBEAM project, supported by the European Union’s Horizon 2020 research and innovation program FETPROACT-EIC-07-2020: emerging paradigms and com- munities. This project has received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement No 823717 – ESTEEM3 and via The IMPRESS project from the HORIZON EUROPE framework program for research and innovation under grant agreement n. 101094299. FV, JV, and AB acknowledge funding from G042820N ‘Explor- ing adaptive optics in transmission electron microscopy.’ CPY acknowledges funding from a TOP-BOF project from the University of Antwerp. Approved Most recent IF: 5.5; 2023 IF: NA  
  Call Number EMAT @ emat @c:irua:202037 Serial 8984  
Permanent link to this record
 

 
Author Mary Joy, R.; Pobedinskas, P.; Bourgeois, E.; Chakraborty, T.; Görlitz, J.; Herrmann, D.; Noël, C.; Heupel, J.; Jannis, D.; Gauquelin, N.; D'Haen, J.; Verbeeck, J.; Popov, C.; Houssiau, L.; Becher, C.; Nesládek, M.; Haenen, K. url  doi
openurl 
  Title Germanium vacancy centre formation in CVD nanocrystalline diamond using a solid dopant source Type A3 Journal article
  Year 2023 Publication Science talks Abbreviated Journal (down) Science Talks  
  Volume 5 Issue Pages 100157  
  Keywords A3 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2023-02-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2772-5693 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: NA  
  Call Number EMAT @ emat @c:irua:196969 Serial 8791  
Permanent link to this record
 

 
Author Vanraes, P.; Parayil Venugopalan, S.; Besemer, M.; Bogaerts, A. pdf  url
doi  openurl
  Title Assessing neutral transport mechanisms in aspect ratio dependent etching by means of experiments and multiscale plasma modeling Type A1 Journal Article
  Year 2023 Publication Plasma Sources Science and Technology Abbreviated Journal (down) Plasma Sources Sci. Technol.  
  Volume 32 Issue 6 Pages 064004  
  Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;  
  Abstract Since the onset of pattern transfer technologies for chip manufacturing, various strategies have been developed to circumvent or overcome aspect ratio dependent etching (ARDE). These methods have, however, their own limitations in terms of etch non-idealities, throughput or costs. Moreover, they have mainly been optimized for individual in-device features and die-scale patterns, while occasionally ending up with poor patterning of metrology marks, affecting the alignment and overlay in lithography. Obtaining a better understanding of the underlying mechanisms of ARDE and how to mitigate them therefore remains a relevant challenge to date, for both marks and advanced nodes. In this work, we accordingly assessed the neutral transport mechanisms in ARDE by means of experiments and multiscale modeling for SiO<sub>2</sub>etching with CHF<sub>3</sub>/Ar and CF<sub>4</sub>/Ar plasmas. The experiments revealed a local maximum in the etch rate for an aspect ratio around unity, i.e. the simultaneous occurrence of regular and inverse reactive ion etching lag for a given etch condition. We were able to reproduce this ARDE trend in the simulations without taking into account charging effects and the polymer layer thickness, suggesting shadowing and diffuse reflection of neutrals as the primary underlying mechanisms. Subsequently, we explored four methods with the simulations to regulate ARDE, by varying the incident plasma species fluxes, the amount of polymer deposition, the ion energy and angular distribution and the initial hardmask sidewall angle, for which the latter was found to be promising in particular. Although our study focusses on feature dimensions characteristic to metrology marks and back-end-of-the-line integration, the obtained insights have a broader relevance, e.g. to the patterning of advanced nodes. Additionally, this work supports the insight that physisorption may be more important in plasma etching at room temperature than originally thought, in line with other recent studies, a topic on which we recommend further research.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001021250100001 Publication Date 2023-06-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0963-0252 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.8 Times cited Open Access Not_Open_Access  
  Notes P Vanraes acknowledges funding by ASML for the project ‘Computational simulation of plasma etching of trench structures’. P Vanraes and A Bogaerts want to express their gratitude to Mark J Kushner (University of Michigan) for the sharing of the HPEM and MCFPM codes, and for the interesting exchange of views. P Vanraes wishes to thank Violeta Georgieva and Stefan Tinck for the fruitful discussions on the HPEM code, Yu-Ru Zhang for an example of the CCP reactor code and Karel Venken for his technical help with the server maintenance and use. S P Venugopalan and M Besemer wish to thank Luigi Scaccabarozzi, Sander Wuister, Coen Verschuren, Michael Kubis, Kuan-Ming Chen, Ruben Maas, Huaichen Zhang and Julien Mailfert (ASML) for the insightful discussions. Approved Most recent IF: 3.8; 2023 IF: 3.302  
  Call Number PLASMANT @ plasmant @c:irua:197760 Serial 8811  
Permanent link to this record
 

 
Author Tampieri, F.; Gorbanev, Y.; Sardella, E. url  doi
openurl 
  Title Plasma‐treated liquids in medicine: Let's get chemical Type A1 Journal Article
  Year 2023 Publication Plasma Processes and Polymers Abbreviated Journal (down) Plasma Processes & Polymers  
  Volume 20 Issue 9 Pages e2300077  
  Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;  
  Abstract Fundamental and applied research on plasma‐treated liquids for biomedical applications was boosted in the last few years, dictated by their advantages with respect to direct treatments. However, often, the lack of consistent analysis at a molecular level of these liquids, and of the processes used to produce them, have raised doubts of their usefulness in the clinic. The aim of this article is to critically discuss some basic aspects related to the use of plasma‐treated liquids in medicine, with a focus on their chemical composition. We analyze the main liquids used in the field, how they are affected by non‐thermal plasmas, and the possibility to replicate them without plasma treatment.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001005060700001 Publication Date 2023-06-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1612-8850 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.5 Times cited Open Access Not_Open_Access  
  Notes We thank COST Actions CA20114 (Therapeutical Applications of Cold Plasmas) and CA19110 (Plasma Applications for Smart and Sustainable Agriculture) for the stimulating environment provided. Francesco Tampieri wishes to thank Dr. Cristina Canal for the helpful discussion during the planning stage of this paper. Approved Most recent IF: 3.5; 2023 IF: 2.846  
  Call Number PLASMANT @ plasmant @c:irua:197386 Serial 8814  
Permanent link to this record
 

 
Author Bogaerts, A. pdf  url
doi  openurl
  Title Special Issue on “Dielectric Barrier Discharges and their Applications” in Commemoration of the 20th Anniversary of Dr. Ulrich Kogelschatz’s Work Type A1 Journal Article
  Year 2023 Publication Plasma Chemistry and Plasma Processing Abbreviated Journal (down) Plasma Chem Plasma Process  
  Volume 43 Issue 6 Pages 1281-1285  
  Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;  
  Abstract n/a  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001110371000001 Publication Date 2023-11-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0272-4324 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.6 Times cited Open Access Not_Open_Access  
  Notes n/a Approved Most recent IF: 3.6; 2023 IF: 2.355  
  Call Number PLASMANT @ plasmant @c:irua:201387 Serial 8969  
Permanent link to this record
 

 
Author Lin, A.; Gromov, M.; Nikiforov, A.; Smits, E.; Bogaerts, A. pdf  url
doi  openurl
  Title Characterization of Non-Thermal Dielectric Barrier Discharges for Plasma Medicine: From Plastic Well Plates to Skin Surfaces Type A1 Journal Article
  Year 2023 Publication Plasma Chemistry and Plasma Processing Abbreviated Journal (down) Plasma Chem Plasma Process  
  Volume 43 Issue 6 Pages 1587-1612  
  Keywords A1 Journal Article; Non-thermal plasma · Plasma medicine · Dielectric barrier discharge · Plasma diagnostics · Plasma surface interaction · In situ plasma monitoring; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;  
  Abstract technologies have been expanding, and one of the most exciting and rapidly growing

applications is in biology and medicine. Most biomedical studies with DBD plasma systems are performed in vitro, which include cells grown on the surface of plastic well plates, or in vivo, which include animal research models (e.g. mice, pigs). Since many DBD systems use the biological target as the secondary electrode for direct plasma generation and treatment, they are sensitive to the surface properties of the target, and thus can be altered based on the in vitro or in vivo system used. This could consequently affect biological response from plasma treatment. Therefore, in this study, we investigated the DBD plasma behavior both in vitro (i.e. 96-well flat bottom plates, 96-well U-bottom plates, and 24-well flat bottom plates), and in vivo (i.e. mouse skin). Intensified charge coupled device (ICCD) imaging was performed and the plasma discharges were visually distinguishable between the different systems. The geometry of the wells did not affect DBD plasma generation for low application distances (≤ 2 mm), but differentially affected plasma uniformity on the bottom of the well at greater distances. Since DBD plasma treatment in vitro is rarely performed in dry wells for plasma medicine experiments, the effect of well wetness was also investigated. In all in vitro cases, the uniformity of the DBD plasma was affected when comparing wet versus dry wells, with the plasma in the wide-bottom wells appearing the most similar to plasma generated on mouse skin. Interestingly, based on quantification of ICCD images, the DBD plasma intensity per surface area demonstrated an exponential one-phase decay with increasing application distance, regardless of the in vitro or in vivo system. This trend is similar to that of the energy per pulse of plasma, which is used to determine the total plasma treatment energy for biological systems. Optical emission spectroscopy performed on the plasma revealed similar trends in radical species generation between the plastic well plates and mouse skin. Therefore, taken together, DBD plasma intensity per surface area may be a valuable parameter to be used as a simple method for in situ monitoring during biological treatment and active plasma treatment control, which can be applied for in vitro and in vivo systems.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001072607700001 Publication Date 2023-09-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0272-4324 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.6 Times cited Open Access Not_Open_Access  
  Notes This work was partially funded by the Research Foundation—Flanders (FWO) and supported by the following Grants: 12S9221N (A. L.), G044420N (A. L. and A. B.), and G033020N (A.B.). We would also like to thank several patrons, as part of this research was funded by donations from different donors, including Dedert Schilde vzw, Mr Willy Floren, and the Vereycken family. We would also like to acknowledge the support from the European Cooperation in Science & Technology (COST) Action on “Therapeutical applications of Cold Plasmas” (CA20114; PlasTHER). Approved Most recent IF: 3.6; 2023 IF: 2.355  
  Call Number PLASMANT @ plasmant @c:irua:200285 Serial 8970  
Permanent link to this record
 

 
Author Claes, J.; Partoens, B.; Lamoen, D. pdf  url
doi  openurl
  Title Decoupled DFT-1/2 method for defect excitation energies Type A1 Journal Article
  Year 2023 Publication Physical Review B Abbreviated Journal (down) Phys. Rev. B  
  Volume 108 Issue 12 Pages 125306  
  Keywords A1 Journal Article; Condensed Matter Theory (CMT) ;  
  Abstract The DFT-1/2 method is a band-gap correction with GW precision at a density functional theory (DFT) computational cost. The method was also extended to correct the gap between defect levels, allowing for the calculation of optical transitions. However, this method fails when the atomic character of the occupied and unoccupied defect levels is similar as we illustrate by two examples, the tetrahedral hydrogen interstitial and the negatively charged vacancy in diamond. We solve this problem by decoupling the effect of the occupied and unoccupied defect levels and call this the decoupled DFT-1/2 method for defects.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001089302800003 Publication Date 2023-09-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.7 Times cited Open Access Not_Open_Access  
  Notes This work was supported by the FWO (Research Foundation-Flanders), Project No. G0D1721N. This work was performed in part using HPC resources from the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government department EWI (Economie, Wetenschap & Innovatie). Approved Most recent IF: 3.7; 2023 IF: 3.836  
  Call Number CMT @ cmt @c:irua:201287 Serial 8976  
Permanent link to this record
 

 
Author Faraji, F.; Neek-Amal, M.; Neyts, E.C.; Peeters, F.M. doi  openurl
  Title Cation-controlled permeation of charged polymers through nanocapillaries Type A1 Journal article
  Year 2023 Publication Physical review E Abbreviated Journal (down) Phys Rev E  
  Volume 107 Issue 3 Pages 034501-34510  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Molecular dynamics simulations are used to study the effects of different cations on the permeation of charged polymers through flat capillaries with heights below 2 nm. Interestingly, we found that, despite being monovalent, Li+ , Na+ , and K+ cations have different effects on polymer permeation, which consequently affects their transmission speed throughout those capillaries. We attribute this phenomenon to the interplay of the cations' hydration free energies and the hydrodynamic drag in front of the polymer when it enters the capillary. Different alkali cations exhibit different surface versus bulk preferences in small clusters of water under the influence of an external electric field. This paper presents a tool to control the speed of charged polymers in confined spaces using cations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000955986000006 Publication Date 2023-03-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2470-0053 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.4 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 2.4; 2023 IF: 2.366  
  Call Number UA @ admin @ c:irua:196089 Serial 7586  
Permanent link to this record
 

 
Author Cadorim, L.R.; de Toledo, L.V.; Ortiz, W.A.; Berger, J.; Sardella, E. doi  openurl
  Title Closed vortex state in three-dimensional mesoscopic superconducting films under an applied transport current Type A1 Journal article
  Year 2023 Publication Physical review B Abbreviated Journal (down) Phys Rev B  
  Volume 107 Issue 9 Pages 094515-94518  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract By using the full 3D generalized time-dependent Ginzbug-Landau equation, we study a long superconducting film of finite width and thickness under an applied transport current. We show that, for sufficiently large thickness, the vortices and the antivortices become curved before they annihilate each other. As they approach the center of the sample, their ends combine, producing a single closed vortex. We also determine the critical values of the thickness for which the closed vortex sets in for different values of the Ginzburg-Ladau parameter. Finally, we propose a model of how to detect a closed vortex experimentally.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000957055800002 Publication Date 2023-03-20  
  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 3.7 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 3.7; 2023 IF: 3.836  
  Call Number UA @ admin @ c:irua:196079 Serial 7673  
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Author Chen, H.; Xiong, Y.; Li, J.; Abed, J.; Wang, D.; Pedrazo-Tardajos, A.; Cao, Y.; Zhang, Y.; Wang, Y.; Shakouri, M.; Xiao, Q.; Hu, Y.; Bals, S.; Sargent, E.H.H.; Su, C.-Y.; Yang, Z. url  doi
openurl 
  Title Epitaxially grown silicon-based single-atom catalyst for visible-light-driven syngas production Type A1 Journal article
  Year 2023 Publication Nature communications Abbreviated Journal (down) Nat Commun  
  Volume 14 Issue 1 Pages 1719-11  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Despite the natural abundance and promising properties of Si, there are few examples of crystalline Si-based catalysts. Here, the authors report an epitaxial growth method to construct Co single atoms on Si for light driven CO2 reduction to syngas. Improving the dispersion of active sites simultaneous with the efficient harvest of photons is a key priority for photocatalysis. Crystalline silicon is abundant on Earth and has a suitable bandgap. However, silicon-based photocatalysts combined with metal elements has proved challenging due to silicon's rigid crystal structure and high formation energy. Here we report a solid-state chemistry that produces crystalline silicon with well-dispersed Co atoms. Isolated Co sites in silicon are obtained through the in-situ formation of CoSi2 intermediate nanodomains that function as seeds, leading to the production of Co-incorporating silicon nanocrystals at the CoSi2/Si epitaxial interface. As a result, cobalt-on-silicon single-atom catalysts achieve an external quantum efficiency of 10% for CO2-to-syngas conversion, with CO and H-2 yields of 4.7 mol g((Co))(-1) and 4.4 mol g((Co))(-1), respectively. Moreover, the H-2/CO ratio is tunable between 0.8 and 2. This photocatalyst also achieves a corresponding turnover number of 2 x 10(4) for visible-light-driven CO2 reduction over 6 h, which is over ten times higher than previously reported single-atom photocatalysts.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000962607600018 Publication Date 2023-03-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 16.6 Times cited 6 Open Access OpenAccess  
  Notes This work was supported by the National Natural Science Foundation of China (21821003, 21890380, 21905316), Guangdong Natural Science Foundation (2019A1515011748), the Science and Technology Planning Project of Guangdong Province (2019A050510018), Pearl River Recruitment Program of Talent (2019QN01C108), the EU Infrastructure Project EUSMI (Grant No. E190700310), and Sun Yat-sen University. D.W. acknowledges an Individual Fellowship funded by the Marie-Sklodowska-Curie Actions (MSCA) in Horizon 2020 program (grant 894254 SuprAtom). S.B. and A.P.-T. acknowledge financial support from the European Commission under the Horizon 2020 Programme by grant no. 731019 (EUSMI) and ERC Consolidator grant no. 815128 (REALNANO). This project has received funding from the European Commission Grant (EUSMI E190700310). Synchrotron XAS data described in this paper was performed at the Canadian Light Source, a national research facility of the University of Saskatchewan, which is supported by the Canada Foundation for Innovation (CFI), the Natural Sciences and Engineering Research Council (NSERC), the National Research Council (NRC), the Canadian Institutes of Health Research (CIHR), the Government of Saskatchewan, and the University of Saskatchewan. Approved Most recent IF: 16.6; 2023 IF: 12.124  
  Call Number UA @ admin @ c:irua:196062 Serial 7932  
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Author Vijayakumar, J.; Savchenko, T.M.; Bracher, D.M.; Lumbeeck, G.; Béché, A.; Verbeeck, J.; Vajda, Š.; Nolting, F.; Vaz, Ca.f.; Kleibert, A. url  doi
openurl 
  Title Absence of a pressure gap and atomistic mechanism of the oxidation of pure Co nanoparticles Type A1 Journal article
  Year 2023 Publication Nature communications Abbreviated Journal (down) Nat Commun  
  Volume 14 Issue 1 Pages 174  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Understanding chemical reactivity and magnetism of 3<italic>d</italic>transition metal nanoparticles is of fundamental interest for applications in fields ranging from spintronics to catalysis. Here, we present an atomistic picture of the early stage of the oxidation mechanism and its impact on the magnetism of Co nanoparticles. Our experiments reveal a two-step process characterized by (i) the initial formation of small CoO crystallites across the nanoparticle surface, until their coalescence leads to structural completion of the oxide shell passivating the metallic core; (ii) progressive conversion of the CoO shell to Co<sub>3</sub>O<sub>4</sub>and void formation due to the nanoscale Kirkendall effect. The Co nanoparticles remain highly reactive toward oxygen during phase (i), demonstrating the absence of a pressure gap whereby a low reactivity at low pressures is postulated. Our results provide an important benchmark for the development of theoretical models for the chemical reactivity in catalysis and magnetism during metal oxidation at the nanoscale.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000955726400021 Publication Date 2023-01-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 16.6 Times cited 1 Open Access OpenAccess  
  Notes Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung, 200021160186 2002153540 ; EC | Horizon 2020 Framework Programme, 810310 823717 ; University of Basel | Swiss Nanoscience Institute, P1502 ; This work is funded by Swiss National Foundation (SNF) (Grants. No 200021160186 and 2002153540) and the Swiss Nanoscience Institut (SNI) (Grant No. SNI P1502). S.V. acknowledges support from the European Union’s Horizon 2020 research and innovation programme under grant agreement no. 810310, which corresponds to the J. Heyrovsky Chair project (“ERA Chair at J. Heyrovský Institute of Physical Chemistry AS CR – The institutional approach towards ERA”). The funders had no role in the preparation of the article. Part of this work was performed at the Surface/Interface: Microscopy (SIM) beamline of the Swiss Light Source (SLS), Paul Scherrer Institut, Villigen, Switzerland. We kindly acknowledge Anja Weber and Elisabeth Müller from PSI for their help in fabricating the sample markers. A.B. and J. Verbeeck received funding from the European Union’s Horizon 2020 Research Infrastructure – Integrating Activities for Advanced Communities under grant agreement No. 823717 – ESTEEM3 reported Approved Most recent IF: 16.6; 2023 IF: 12.124  
  Call Number EMAT @ emat @c:irua:196738 Serial 8804  
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Author Arteaga Cardona, F.; Jain, N.; Popescu, R.; Busko, D.; Madirov, E.; Arús, B.A.; Gerthsen, D.; De Backer, A.; Bals, S.; Bruns, O.T.; Chmyrov, A.; Van Aert, S.; Richards, B.S.; Hudry, D. pdf  url
doi  openurl
  Title Preventing cation intermixing enables 50% quantum yield in sub-15 nm short-wave infrared-emitting rare-earth based core-shell nanocrystals Type A1 Journal article
  Year 2023 Publication Nature communications Abbreviated Journal (down) Nat Commun  
  Volume 14 Issue 1 Pages 4462  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Short-wave infrared (SWIR) fluorescence could become the new gold standard in optical imaging for biomedical applications due to important advantages such as lack of autofluorescence, weak photon absorption by blood and tissues, and reduced photon scattering coefficient. Therefore, contrary to the visible and NIR regions, tissues become translucent in the SWIR region. Nevertheless, the lack of bright and biocompatible probes is a key challenge that must be overcome to unlock the full potential of SWIR fluorescence. Although rare-earth-based core-shell nanocrystals appeared as promising SWIR probes, they suffer from limited photoluminescence quantum yield (PLQY). The lack of control over the atomic scale organization of such complex materials is one of the main barriers limiting their optical performance. Here, the growth of either homogeneous (α-NaYF<sub>4</sub>) or heterogeneous (CaF<sub>2</sub>) shell domains on optically-active α-NaYF<sub>4</sub>:Yb:Er (with and without Ce<sup>3+</sup>co-doping) core nanocrystals is reported. The atomic scale organization can be controlled by preventing cation intermixing only in heterogeneous core-shell nanocrystals with a dramatic impact on the PLQY. The latter reached 50% at 60 mW/cm<sup>2</sup>; one of the highest reported PLQY values for sub-15 nm nanocrystals. The most efficient nanocrystals were utilized for in vivo imaging above 1450 nm.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001037058500022 Publication Date 2023-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 16.6 Times cited 1 Open Access OpenAccess  
  Notes D.H. would like to thank Dominique Ectors (Bruker AXS GmbH, Karlsruhe, Germany) for assistance and discussion on the PXRD data and TOPAS evaluations. The authors would like to acknowledge the financial support provided by the Helmholtz Association via: i) the Professorial Recruitment Initiative Funding (B.S.R.); ii) the Research Field Energy – Program Materials and Technologies for the Energy Transition – Topic 1 Photovoltaics (F.A.C., D.B., E.M., B.S.R., D.H.). This project received funding from the European Union’s Horizon 2020 innovation programme under grant agreement 823717. This work was supported by the European Research Council (grant 770887-PICOMETRICS to S.V.A. and Grant 815128-REALNANO to S.B.). The authors acknowledge financial support from the ResearchFoundation Flanders (FWO, Belgium) through project fundings (G.0346.21 N to S.V.A. and S.B.) and a postdoctoral grant (A.D.B.). The authors (B.A.A., O.T.B. and A.C.) acknowledge funding from the Helmholtz Zentrum München, the DFG-Emmy Noether program (BR 5355/2-1) and from the CZI Deep Tissue Imaging (DTI-0000000248). The authors (O.T.B. and D.H.) would like to thank the Helmholtz Imaging (ZT-I-PF-4-038-BENIGN). Approved Most recent IF: 16.6; 2023 IF: 12.124  
  Call Number EMAT @ emat @c:irua:198158 Serial 8808  
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Author Benedoue, S.; Benedet, M.; Gasparotto, A.; Gauquelin, N.; Orekhov, A.; Verbeeck, J.; Seraglia, R.; Pagot, G.; Rizzi, G.A.; Balzano, V.; Gavioli, L.; Noto, V.D.; Barreca, D.; Maccato, C. url  doi
openurl 
  Title Insights into the Photoelectrocatalytic Behavior of gCN-Based Anode Materials Supported on Ni Foams Type A1 Journal article
  Year 2023 Publication Nanomaterials Abbreviated Journal (down) Nanomaterials-Basel  
  Volume 13 Issue 6 Pages 1035  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Graphitic carbon nitride (gCN) is a promising n-type semiconductor widely investigated for photo-assisted water splitting, but less studied for the (photo)electrochemical degradation of aqueous organic pollutants. In these fields, attractive perspectives for advancements are offered by a proper engineering of the material properties, e.g., by depositing gCN onto conductive and porous scaffolds, tailoring its nanoscale morphology, and functionalizing it with suitable cocatalysts. The present study reports on a simple and easily controllable synthesis of gCN flakes on Ni foam substrates by electrophoretic deposition (EPD), and on their eventual decoration with Co-based cocatalysts [CoO, CoFe2O4, cobalt phosphate (CoPi)] via radio frequency (RF)-sputtering or electrodeposition. After examining the influence of processing conditions on the material characteristics, the developed systems are comparatively investigated as (photo)anodes for water splitting and photoelectrocatalysts for the degradation of a recalcitrant water pollutant [potassium hydrogen phthalate (KHP)]. The obtained results highlight that while gCN decoration with Co-based cocatalysts boosts water splitting performances, bare gCN as such is more efficient in KHP abatement, due to the occurrence of a different reaction mechanism. The related insights, provided by a multi-technique characterization, may provide valuable guidelines for the implementation of active nanomaterials in environmental remediation and sustainable solar-to-chemical energy conversion.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000960297000001 Publication Date 2023-03-13  
  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 5.3 Times cited 3 Open Access OpenAccess  
  Notes The present work was financially supported by CNR (Progetti di Ricerca @CNR—avviso 2020—ASSIST), Padova University (P-DiSC#04BIRD2020-UNIPD EUREKA, DOR 2020–2022), AMGA Foundation (NYMPHEA project), INSTM Consortium (INSTM21PDGASPAROTTO—NANOMAT, INSTM21PDBARMAC—ATENA) and the European Union’s Horizon 2020 research and innovation program under grant agreement No. 823717—ESTEEM3. The FWO-Hercules fund G0H4316N ‘Direct electron detector for soft matter TEM’ is also acknowledged. Many thanks are also due to Dr. Riccardo Lorenzin for his support to experimental activities.; esteem3reported; esteem3TA Approved Most recent IF: 5.3; 2023 IF: 3.553  
  Call Number EMAT @ emat @c:irua:196115 Serial 7378  
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Author Van Gordon, K.; Baúlde, S.; Mychinko, M.; Heyvaert, W.; Obelleiro-Liz, M.; Criado, A.; Bals, S.; Liz-Marzán, L.M.; Mosquera, J. pdf  url
doi  openurl
  Title Tuning the Growth of Chiral Gold Nanoparticles Through Rational Design of a Chiral Molecular Inducer Type A1 Journal Article
  Year 2023 Publication Nano Letters Abbreviated Journal (down) Nano Lett.  
  Volume Issue Pages  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract The bottom-up production of chiral gold nanomaterials holds great potential for the advancement of biosensing and nano-optics, among other applications. Reproducible preparations of colloidal nanomaterials with chiral morphology have been reported, using cosurfactants or chiral inducers such as thiolated amino acids. However, the underlying growth mechanisms for these nanomaterials remain insufficiently understood. We introduce herein a purposely devised chiral inducer, a cysteine modified with a hydrophobic chain, as a versatile chiral inducer. The amphiphilic and chiral features of this molecule provide control over the chiral morphology and the chiroptical signature of the obtained nanoparticles by simply varying the concentration of chiral inducer. These results are supported by circular dichroism and electromagnetic modeling as well as electron tomography to analyze structural evolution at the facet scale. Our observations suggest complex roles for the factors involved in chiral synthesis: the chemical nature of the chiral inducers and the influence of cosurfactants.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001092787000001 Publication Date 2023-10-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 10.8 Times cited Open Access OpenAccess  
  Notes J.M. Taboada and F. Obelleiro are thanked for support with electromagnetic simulations. The authors acknowledge financial support by the European Research Council (ERC CoG No. 815128 REALNANO to S. Bals; ERC AdG No. 787510, 4DbioSERS to L.M.L.-M.) and from MCIN/AEI/10.13039/501100011033 and “ESF Investing in your future” (Grant PID2020-117779RB-I00 to L.M.L.-M., Grant RYC2020-030183-I to A.C., and Grants RYC2019-027842-I, PID2020-117885GA-I00 to J.M.). Approved Most recent IF: 10.8; 2023 IF: 12.712  
  Call Number EMAT @ emat @c:irua:200590 Serial 8963  
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Author Peeters, H.; Lenaerts, S.; Verbruggen, S.W. url  doi
openurl 
  Title Benchmarking the photocatalytic self-cleaning activity of industrial and experimental materials with ISO 27448:2009 Type A1 Journal article
  Year 2023 Publication Materials Abbreviated Journal (down) Materials  
  Volume 16 Issue 3 Pages 1119-13  
  Keywords A1 Journal article; Engineering sciences. Technology  
  Abstract Various industrial surface materials are tested for their photocatalytic self-cleaning activity by performing the ISO 27448:2009 method. The samples are pre-activated by UV irradiation, fouled with oleic acid and irradiated by UV light. The degradation of oleic acid over time is monitored by taking water contact angle measurements using a contact angle goniometer. The foulant, oleic acid, is an organic acid that makes the surface more hydrophobic. The water contact angle will thus decrease over time as the photocatalytic material degrades the oleic acid. In this study, we argue that the use of this method is strongly limited to specific types of surface materials, i.e., only those that are hydrophilic and smooth in nature. For more hydrophobic materials, the difference in the water contact angles of a clean surface and a fouled surface is not measurable. Therefore, the photocatalytic self-cleaning activity cannot be established experimentally. Another type of material that cannot be tested by this standard are rough surfaces. For rough surfaces, the water contact angle cannot be measured accurately using a contact angle goniometer as prescribed by the standard. Because of these limitations, many potentially interesting industrial substrates cannot be evaluated. Smooth samples that were treated with an in-house developed hydrophilic titania thin film (PCT/EP2018/079983) showed a great photocatalytic self-cleaning performance according to the ISO standard. Apart from discussing the pros and cons of the current ISO standard, we also stress how to carefully interpret the results and suggest alternative testing solutions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000930734100001 Publication Date 2023-01-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1996-1944 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.4 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 3.4; 2023 IF: 2.654  
  Call Number UA @ admin @ c:irua:193337 Serial 7284  
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Author Loenders, B.; Michiels, R.; Bogaerts, A. pdf  url
doi  openurl
  Title Is a catalyst always beneficial in plasma catalysis? Insights from the many physical and chemical interactions Type A1 Journal Article
  Year 2023 Publication Journal of Energy Chemistry Abbreviated Journal (down) Journal of Energy Chemistry  
  Volume 85 Issue Pages 501-533  
  Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;  
  Abstract Plasma-catalytic dry reforming of CH4 (DRM) is promising to convert the greenhouse gasses CH4 and CO2 into value-added chemicals, thus simultaneously providing an alternative to fossil resources as feedstock for the chemical industry. However, while many experiments have been dedicated to plasma-catalytic DRM, there is no consensus yet in literature on the optimal choice of catalyst for targeted products, because the underlying mechanisms are far from understood. Indeed, plasma catalysis is very complex, as it encompasses various chemical and physical interactions between plasma and catalyst, which depend on many parameters. This complexity hampers the comparison of experimental results from different studies, which, in our opinion, is an important bottleneck in the further development of this promising research field. Hence, in this perspective paper, we describe the important physical and chemical effects that should be accounted for when designing plasma-catalytic experiments in general, highlighting the need for standardized experimental setups, as well as careful documentation of packing properties and reaction conditions, to further advance this research field. On the other hand, many parameters also create many windows of opportunity for further optimizing plasma-catalytic systems. Finally, various experiments also reveal the lack of improvement in plasma catalysis compared to plasma-only, specifically for DRM, but the underlying mechanisms are unclear. Therefore, we present our newly developed coupled plasma-surface kinetics model for DRM, to provide more insight in the underlying reasons. Our model illustrates that transition metal catalysts can adversely affect plasmacatalytic DRM, if radicals dominate the plasma-catalyst interactions. Thus, we demonstrate that a good understanding of the plasma-catalyst interactions is crucial to avoiding conditions at which these interactions negatively affect the results, and we provide some recommendations for improvement. For instance, we believe that plasma-catalytic DRM may benefit more from higher reaction temperatures, at which vibrational excitation can enhance the surface reactions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2023-06-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2095-4956 ISBN Additional Links UA library record  
  Impact Factor 13.1 Times cited Open Access Not_Open_Access  
  Notes This research was supported by the FWO-SBO project PlasMa- CatDESIGN (FWO grant ID S001619N), the FWO fellowship of R. Michiels (FWO grant ID 1114921N), and the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No 810182 – SCOPE ERC Synergy project). The computational resources and services used in this work were provided by the HPC core facility CalcUA of the Universiteit Antwerpen, and VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government. Approved Most recent IF: 13.1; 2023 IF: 2.594  
  Call Number PLASMANT @ plasmant @c:irua:198159 Serial 8806  
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Author Wanten, B.; Vertongen, R.; De Meyer, R.; Bogaerts, A. pdf  url
doi  openurl
  Title Plasma-based CO2 conversion: How to correctly analyze the performance? Type A1 journal article
  Year 2023 Publication Journal of Energy Chemistry Abbreviated Journal (down) Journal of Energy Chemistry  
  Volume 86 Issue Pages 180-196  
  Keywords A1 journal article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001070885000001 Publication Date 2023-07-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2095-4956 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.1 Times cited Open Access Not_Open_Access  
  Notes We acknowledge financial support from the Fund for Scientific Research (FWO) Flanders (Grant ID 110221N), the European Research Council (ERC) under the European Union’s Horizon 2020 Research and Innovation Program (grant agreement No 810182 – SCOPE ERC Synergy project), and the Methusalem funding of the University of Antwerp. We acknowledge the icons from the graphical abstract made by dDara, geotatah, Spashicons and Freepik on www.flaticon.com. We also thank Stein Maerivoet, Joachim Slaets, Elizabeth Mercer, Colín Ó’Modráin, Joran Van Turnhout, Pepijn Heirman, dr. Yury Gorbanev, dr. Fanny Girard-Sahun and dr. Sean Kelly for the interesting discussions and feedback. Approved Most recent IF: 13.1; 2023 IF: 2.594  
  Call Number PLASMANT @ plasmant @c:irua:198709 Serial 8816  
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Author Kelly, S.; Mercer, E.; De Meyer, R.; Ciocarlan, R.-G.; Bals, S.; Bogaerts, A. url  doi
openurl 
  Title Microwave plasma-based dry reforming of methane: Reaction performance and carbon formation Type A1 Journal article
  Year 2023 Publication Journal of CO2 utilization Abbreviated Journal (down) Journal of CO2 Utilization  
  Volume 75 Issue Pages 102564  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract e investigate atmospheric pressure microwave (MW) plasma (2.45 GHz) conversion in CO2 and CH4 mixtures (i.e., dry reforming of methane, DRM) focusing on reaction performance and carbon formation. Promising energy costs of ~2.8–3.0 eV/molecule or ~11.1–11.9 kJ/L are amongst the best performance to date considering the current state-of-the-art for plasma-based DRM for all types of plasma. The conversion is in the range of ~46–49% and ~55–67% for CO2 and CH4, respectively, producing primarily syngas (i.e., H2 and CO) with H2/CO ratios of ~0.6–1 at CH4 fractions ranging from 30% to 45%. Water is the largest byproduct with levels ranging ~7–14% in the exhaust. Carbon particles visibly impact the plasma at higher CH4 fractions (> 30%), where they become heated and incandescent. Particle luminosity increases with increasing CH4 fractions, with the plasma becoming unstable near a 1:1 mixture (i.e., > 45% CH4). Electron microscopy of the carbon material reveals an agglomerated morphology of pure carbon nanoparticles. The mean particle size is determined as ~20 nm, free of any metal contamination, consistent with the electrode-less MW design.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001065310000001 Publication Date 2023-08-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2212-9820 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.7 Times cited 6 Open Access OpenAccess  
  Notes We acknowledge financial support by a European Space Agency (ESA) Open Science Innovation Platform study (contract no. 4000137001/21/NL/GLC/ov), the European Marie Skłodowska-Curie Individual Fellowship ‘‘PENFIX’’ within Horizon 2020 (grant no. 838181), the European Research Council (ERC) under the European Union’s Horizon 2020 Research and Innovation Program (grant no. 810182; SCOPE ERC Synergy project), the Excellence of Science FWOFNRS PLASyntH2 project (FWO grant no. G0I1822N and EOS no. 4000751) and the Methusalem project of the University of Antwerp Approved Most recent IF: 7.7; 2023 IF: 4.292  
  Call Number PLASMANT @ plasmant @c:irua:198155 Serial 8807  
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Author Zheng, J.; Zhang, H.; Lv, J.; Zhang, M.; Wan, J.; Gerrits, N.; Wu, A.; Lan, B.; Wang, W.; Wang, S.; Tu, X.; Bogaerts, A.; Li, X. url  doi
openurl 
  Title Enhanced NH3Synthesis from Air in a Plasma Tandem-Electrocatalysis System Using Plasma-Engraved N-Doped Defective MoS2 Type A1 Journal Article
  Year 2023 Publication JACS Au Abbreviated Journal (down) JACS Au  
  Volume 3 Issue 5 Pages 1328-1336  
  Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;  
  Abstract We have developed a sustainable method to produce NH3 directly from air using a plasma tandem-electrocatalysis system that operates via the N2−NOx−NH3 pathway. To efficiently reduce NO2− to NH3, we propose a novel electrocatalyst consisting of defective N-doped molybdenum sulfide nanosheets on vertical graphene arrays (N-MoS2/VGs). We used a plasma engraving process to form the metallic 1T phase, N doping, and S vacancies in the electrocatalyst simultaneously. Our system exhibited a remarkable NH3 production rate of 7.3 mg h−1 cm−2 at −0.53 V vs RHE, which is almost 100 times higher than the state-of-the-art electrochemical nitrogen reduction reaction and more than double that of other hybrid systems. Moreover, a low energy consumption of only 2.4 MJ molNH3−1 was achieved in this study. Density functional theory calculations revealed that S vacancies and doped N atoms play a dominant role in the selective reduction of NO2− to NH3. This study opens up new avenues for efficient NH3 production using cascade systems.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000981779300001 Publication Date 2023-05-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2691-3704 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access Not_Open_Access  
  Notes ACKNOWLEDGMENTS This work was supported by the National Natural Science Foundation of China (51976191, 5227060056, 52276214) and the National Key Technologies R&D Program of China (2018YFE0117300). N.G. was financially supported through an NWO Rubicon Grant (019.202EN.012). X.T. acknowl- edges the support of the Engineering and Physical Sciences Research Council (EP/X002713/1). Approved Most recent IF: NA  
  Call Number PLASMANT @ plasmant @c:irua:196761 Serial 8792  
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Author Teunissen, J.L.; Braeckevelt, T.; Skvortsova, I.; Guo, J.; Pradhan, B.; Debroye, E.; Roeffaers, M.B.J.; Hofkens, J.; Van Aert, S.; Bals, S.; Rogge, S.M.J.; Van Speybroeck, V. pdf  url
doi  openurl
  Title Additivity of Atomic Strain Fields as a Tool to Strain-Engineering Phase-Stabilized CsPbI3Perovskites Type A1 Journal Article
  Year 2023 Publication The Journal of Physical Chemistry C Abbreviated Journal (down) J. Phys. Chem. C  
  Volume 127 Issue 48 Pages 23400-23411  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract CsPbI3 is a promising perovskite material for photovoltaic applications in its photoactive perovskite or black phase. However, the material degrades to a photovoltaically inactive or yellow phase at room temperature. Various mitigation strategies are currently being developed to increase the lifetime of the black phase, many of which rely on inducing strains in the material that hinder the black-to-yellow phase transition. Physical insight into how these strategies exactly induce strain as well as knowledge of the spatial extent over which these strains impact the material is crucial to optimize these approaches but is still lacking. Herein, we combine machine learning potential-based molecular dynamics simulations with our in silico strain engineering approach to accurately quantify strained large-scale atomic structures on a nanosecond time scale. To this end, we first model the strain fields introduced by atomic substitutions as they form the most elementary strain sources. We demonstrate that the magnitude of the induced strain fields decays exponentially with the distance from the strain source, following a decay rate that is largely independent of the specific substitution. Second, we show that the total strain field induced by multiple strain sources can be predicted to an excellent approximation by summing the strain fields of each individual source. Finally, through a case study, we illustrate how this additive character allows us to explain how complex strain fields, induced by spatially extended strain sources, can be predicted by adequately combining the strain fields caused by local strain sources. Hence, the strain additivity proposed here can be adopted to further our insight into the complex strain behavior in perovskites and to design strain from the atomic level onward to enhance their sought-after phase stability.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001116862000001 Publication Date 2023-12-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.7 Times cited Open Access OpenAccess  
  Notes This work was supported by iBOF-21-085 PERsist (Special Research Fund of Ghent University, KU Leuven Research Fund, and the Research Fund of the University of Antwerp). S.M.J.R., T.B., and B.P. acknowledge financial support from the Research Foundation-Flanders (FWO) through two postdoctoral fellow- ships [grant nos. 12T3522N (S.M.J.R.) and 1275521N (B.P.)] and an SB-FWO fellowship [grant no. 1SC1319 (T.B.)]. E.D., M.B.J.R., and J.H. acknowledge financial support from the Research Foundation-Flanders (FWO, grant nos. G.0B39.15, G.0B49.15, G098319N, S002019N, S004322N, and ZW15_09- GOH6316). J.H. acknowledges support from the Flemish government through long-term structural funding Methusalem (CASAS2, Meth/15/04) and the MPI as an MPI fellow. S.V.A. and S.B. acknowledge financial support from the Research Foundation-Flanders (FWO, grant no. G0A7723N). S.M.J.R. and V.V.S. acknowledge funding from the Research Board of Ghent University (BOF). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation- Flanders (FWO) and the Flemish Government�department EWI.; KU Leuven, iBOF-21-085 PERsist ; Universiteit Antwerpen, iBOF-21-085 PERsist ; Universiteit Gent, iBOF-21-085 PERsist ; Vlaamse regering, CASAS2, Meth/15/04 ; Fonds Wetenschappelijk Onderzoek, G.0B39.15 G098319N G.0B49.15 1SC1319 12T3522N ZW15 09-GOH6316 G0A7723N 1275521N S004322N S002019N ; Approved Most recent IF: 3.7; 2023 IF: 4.536  
  Call Number EMAT @ emat @c:irua:202124 Serial 8985  
Permanent link to this record
 

 
Author Delfino, C.L.; Hao, Y.; Martin, C.; Minoia, A.; Gopi, E.; Mali, K.S.; Van der Auweraer, M.; Geerts, Y.H.; Van Aert, S.; Lazzaroni, R.; De Feyter, S. pdf  url
doi  openurl
  Title Conformation-Dependent Monolayer and Bilayer Structures of an Alkylated TTF Derivative Revealed using STM and Molecular Modeling Type A1 Journal Article
  Year 2023 Publication The Journal of Physical Chemistry C Abbreviated Journal (down) J. Phys. Chem. C  
  Volume 127 Issue 47 Pages 23023-23033  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract In this study, the multi-layer self-assembled molecular network formation of an alkylated tetrathiafulvalene compound is studied at the liquid-solid interface between 1-phenyloctane and graphite. A combined theoretical/experimental approach associating force-field and quantum-chemical calculations with scanning tunnelling microscopy is used to determine the two-dimensional self-assembly beyond the monolayer, but also to further the understanding of the molecular adsorption conformation and its impact on the molecular packing within the assemblies at the monolayer and bilayer level.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001111637100001 Publication Date 2023-11-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.7 Times cited Open Access OpenAccess  
  Notes Financial support from the Research Foundation-Flanders (FWO G081518N, G0A3220N) and KU Leuven–Internal Funds (C14/19/079) is acknowledged. This work was in part supported by FWO and F. R. S.-FNRS under the Excellence of Science EOS program (project 30489208 and 40007495). C.M. acknowledges the financial support: Grants PID2021-128761OA-C22 and CNS2022-136052 funded by MCIN/AEI/10.13039/501100011033 by the “European Union” and SBPLY/21/180501/000127 funded by JCCM and by the EU through “Fondo Europeo de Desarollo Regional” (FEDER). Research in Mons is also supported by the Belgian National Fund for Scientific Research (FRS-FNRS) within the Consortium des Équipements de Calcul Intensif – CÉCI, under Grant 2.5020.11, and by the Walloon Region (ZENOBE Tier-1 supercomputer, under grant 1117545). Approved Most recent IF: 3.7; 2023 IF: 4.536  
  Call Number EMAT @ emat @c:irua:201671 Serial 8974  
Permanent link to this record
 

 
Author Vlasov, E.; Denisov, N.; Verbeeck, J. pdf  url
doi  openurl
  Title Low-cost electron detector for scanning electron microscope Type A1 Journal article
  Year 2023 Publication HardwareX Abbreviated Journal (down) HardwareX  
  Volume 14 Issue Pages e00413  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Electron microscopy is an indispensable tool for the characterization of (nano) materials. Electron microscopes are typically very expensive and their internal operation is often shielded from the user. This situation can provide fast and high quality results for researchers focusing on e.g. materials science if they have access to the relevant instruments. For researchers focusing on technique development, wishing to test novel setups, however, the high entry price can lead to risk aversion and deter researchers from innovating electron microscopy technology further. The closed attitude of commercial entities about how exactly the different parts of electron microscopes work, makes it even harder for newcomers in this field. Here we propose an affordable, easy-to-build electron detector for use in a scanning electron microscope (SEM). The aim of this project is to shed light on the functioning of such detectors as well as show that even a very modest design can lead to acceptable performance while providing high flexibility for experimentation and customization.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001042486000001 Publication Date 2023-03-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2468-0672 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 1 Open Access OpenAccess  
  Notes The authors acknowledge the financial support of the Research Foundation Flanders (FWO, Belgium) project SBO [Grant No. S000121N]. JV acknowledges funding from the HORIZON-INFRA-2022-TECH-01-01 project IMPRESS [Grant No. 101094299]. Approved Most recent IF: NA  
  Call Number EMAT @ emat @c:irua:195886 Serial 7252  
Permanent link to this record
 

 
Author Biondo, O.; van Deursen, C.F.A.M.; Hughes, A.; van de Steeg, A.; Bongers, W.; van de Sanden, M.C.M.; van Rooij, G.; Bogaerts, A. pdf  url
doi  openurl
  Title Avoiding solid carbon deposition in plasma-based dry reforming of methane Type A1 Journal Article
  Year 2023 Publication Green Chemistry Abbreviated Journal (down) Green Chem.  
  Volume 25 Issue 24 Pages 10485-10497  
  Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;  
  Abstract Solid carbon deposition is a persistent challenge in dry reforming of methane (DRM), affecting both classical and plasma-based processes. In this work, we use a microwave plasma in reverse vortex flow configuration to overcome this issue in CO<sub>2</sub>/CH<sub>4</sub>plasmas. Indeed, this configuration efficiently mitigates carbon deposition, enabling operation even with pure CH<sub>4</sub>feed gas, in contrast to other configurations. At the same time, high reactor performance is achieved, with CO<sub>2</sub>and CH<sub>4</sub>conversions reaching 33% and 44% respectively, at an energy cost of 14 kJ L<sup>−1</sup>for a CO<sub>2</sub> : CH<sub>4</sub>ratio of 1 : 1. Laser scattering and optical emission imaging demonstrate that the shorter residence time in reverse vortex flow lowers the gas temperature in the discharge, facilitating a shift from full to partial CH<sub>4</sub>pyrolysis. This underscores the pivotal role of flow configuration in directing process selectivity, a crucial factor in complex chemistries like CO<sub>2</sub>/CH<sub>4</sub>mixtures and very important for industrial applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001110100100001 Publication Date 2023-11-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1463-9262 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 9.8 Times cited Open Access  
  Notes Universiteit Antwerpen; Nederlandse Organisatie voor Wetenschappelijk Onderzoek; HORIZON EUROPE Marie Sklodowska-Curie Actions, 813393 ; Approved Most recent IF: 9.8; 2023 IF: 9.125  
  Call Number PLASMANT @ plasmant @c:irua:202138 Serial 8978  
Permanent link to this record
 

 
Author Khalilov, U.; Yusupov, M.; Eshonqulov, Gb.; Neyts, Ec.; Berdiyorov, Gr. pdf  url
doi  openurl
  Title Atomic level mechanisms of graphene healing by methane-based plasma radicals Type A1 Journal article
  Year 2023 Publication FlatChem Abbreviated Journal (down) FlatChem  
  Volume 39 Issue Pages 100506  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000990342500001 Publication Date 2023-04-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2452-2627 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 6.2 Times cited Open Access OpenAccess  
  Notes U.K., M.Y. and G.B.E. acknowledge the support of the Agency for Innovative Development of the Republic of Uzbekistan (Grant numbers F-FA-2021-512 and FZ-2020092435). The computational resources and services used in this work were partially provided by the HPC core facility CalcUA of the Universiteit Antwerpen and VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government. Approved Most recent IF: 6.2; 2023 IF: NA  
  Call Number PLASMANT @ plasmant @c:irua:197442 Serial 8813  
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