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Author Matnazarova, S.; Khalilov, U.; Yusupov, M. url  doi
openurl 
  Title Effect of endohedral nickel atoms on the hydrophilicity of carbon nanotubes Type A1 Journal article
  Year 2023 Publication Molecular simulation Abbreviated Journal  
  Volume 49 Issue 17 Pages 1575-1581  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Carbon nanotubes (CNTs) have been successfully used in biomedicine, including cancer therapy, due to their unique physico-chemical properties. Because pristine CNTs exhibit hydrophobic behaviour, they can have a cytotoxic effect on cells, which limits their practical use in biomedicine. The toxicity of CNTs can be reduced by adding water-soluble functional radicals to their surface, i.e. by increasing their hydrophilicity. Another possibility for increasing the hydrophilicity of CNTs is probably filling them with endohedral metal atoms, which has not yet been studied. Thus, in this study, we use computer simulations to investigate the combined effect of endohedral nickel atoms and functional groups on the hydrophilicity of CNTs. Our simulation results show that the introduction of endohedral nickel atoms into CNTs increases their binding energy with functional groups. We also find that the addition of functional groups to the surface of CNT, along with filling it with endohedral nickel atoms, leads to an increase in the dipole moment of the CNT as well as its interaction energy with water, thereby increasing the hydrophilicity of the CNT and, consequently, its solubility in water. This, in turn, can lead to a decrease in CNT toxicity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001059544800001 Publication Date 2023-09-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0892-7022 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 2.1 Times cited Open Access  
  Notes Approved Most recent IF: 2.1; 2023 IF: 1.254  
  Call Number UA @ admin @ c:irua:199261 Serial 9027  
Permanent link to this record
 

 
Author Andersen, Ja.; Holm, Mc.; van 't Veer, K.; Christensen, Jm.; Østberg, M.; Bogaerts, A.; Jensen, Ad. url  doi
openurl 
  Title Plasma-catalytic ammonia synthesis in a dielectric barrier discharge reactor: A combined experimental study and kinetic modeling Type A1 Journal article
  Year 2023 Publication Chemical engineering journal Abbreviated Journal  
  Volume 457 Issue Pages 141294  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Plasma-catalytic ammonia synthesis in a dielectric barrier discharge reactor has emerged as a possible route for electrification of nitrogen fixation. In this study, we use a combination of experiments and a plasma kinetic model to investigate the ammonia synthesis from N2 and H2, both with and without a solid packing material in the plasma zone. The effect of plasma power, feed flow rate, N2:H2 feed ratio, gas residence time, temperature, and packing material (MgAl2O4 alone or impregnated with Co or Ru) on the ammonia synthesis rate were examined in the experiments. The kinetic model was employed to improve our understanding of the ammonia formation pathways and identify possible changes in these pathways when altering the N2:H2 feed ratio. A higher NH3 synthesis rate was achieved when increasing the feed flow rate, as well as when increasing the gas tem-perature from 100 to 200 ◦C when a packing material was present in the plasma. At the elevated temperature of 200 ◦C, an optimum in the NH3 synthesis rate was observed at an equimolar feed ratio (N2:H2 =1:1) for the plasma alone and MgAl2O4, while a N2-rich feed was favored for Ru/MgAl2O4 and Co/MgAl2O4. The optimum in the synthesis rate with the N2-rich feed, where high energy electrons are more likely to collide with N2, suggests that the rate-limiting step is the dissociation of N2 in the gas phase. This is supported by the kinetic model when packing material was used. However, for the plasma alone, the model found that the N2 dissociation is only rate limiting in H2-rich feeds, whereas the limited access to H in N2-rich feeds makes the hydrogenation of N species limiting.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001058978000001 Publication Date 2023-01-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1385-8947 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 15.1 Times cited Open Access OpenAccess  
  Notes We thank Topsoe A/S for providing the catalytic materials used in the study, the research group PLASMANT (University of Antwerp) for sharing their plasma kinetic model and allocating time on their cluster for the calculations, and the Department of Chemical and Biochemical Engineering (Technical University of Denmark) for funding the project. Approved Most recent IF: 15.1; 2023 IF: 6.216  
  Call Number PLASMANT @ plasmant @c:irua:195877 Serial 7234  
Permanent link to this record
 

 
Author Marchetti, A.; Beltran, V.; Storme, P.; Nuyts, G.; Van Der Meeren, L.; Skirtach, A.; Otten, E.; Debulpaep, M.; Watteeuw, L.; De Wael, K. pdf  doi
openurl 
  Title All that glitters is not gold : unraveling the material secrets behind the preservation of historical brass Type A1 Journal article
  Year 2023 Publication Journal of cultural heritage Abbreviated Journal  
  Volume 63 Issue Pages 179-186  
  Keywords A1 Journal article; Engineering sciences. Technology; Art; History; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)  
  Abstract Brass is a relatively stable alloy but it tends to tarnish over time due to the interaction with the atmosphere. Thus, it is rare to observe centuries-old brass objects untouched by the passing of time. For this reason, the pristine appearance of hundreds of brass sequins in the Enclosed Gardens of Mechelen (reliquary altarpieces produced between 1530 and 1550) is remarkable. In this study, the chemical and metallographic characterization of such unexpectedly well-preserved objects is presented. The results revealed the reason for their stability to be a combination of high-quality materials (i.e. medium Zn content, low impurities) and optimal surface properties (i.e. high homogeneity, low roughness), indicating the high level of expertise of the craftsmen who produced them. Novel fundamental insights on the historical manufacturing method of metallic sequins were also obtained.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001058894000001 Publication Date 2023-08-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1296-2074 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.1 Times cited Open Access Not_Open_Access: Available from 15.08.2024  
  Notes Approved Most recent IF: 3.1; 2023 IF: 1.838  
  Call Number UA @ admin @ c:irua:198113 Serial 8830  
Permanent link to this record
 

 
Author Wang, J.; Zhang, K.; Mertens, M.; Bogaerts, A.; Meynen, V. pdf  url
doi  openurl
  Title Plasma-based dry reforming of methane in a dielectric barrier discharge reactor: Importance of uniform (sub)micron packings/catalysts to enhance the performance Type A1 Journal Article
  Year 2023 Publication APPLIED CATALYSIS B-ENVIRONMENTAL Abbreviated Journal  
  Volume 337 Issue Pages 122977  
  Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;  
  Abstract This study presents new insights on the effect of (sub)micrometer particle sized materials in plasma-based CO2-

CH4 reforming by investigating the performance of SiO2 spheres (with/without supported metal) of varying

particle sizes. (Sub)micron particles synthesized through the St¨ober method were used instead of (sub)millimeter

particles employed in previous studies. Increasing particle size (from 120 nm to 2390 nm) was found to first

increase and then decrease conversion and energy yield, with optimal performance achieved using 740 nm 5 wt%

Ni loaded SiO2, which improved CO2 and CH4 conversion, and energy yield to 44%, 55%, and 0.271 mmol/kJ,

respectively, compared to 20%, 27%, and 0.116 mmol/kJ in an empty reactor at the same flow rate. This is the

first to achieve significant performance improvement in a fully packed reactor, highlighting the importance of

selecting a suitable particle size. The findings can offer guidance towards rational design of catalysts for plasmabased

reactions.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001056527600001 Publication Date 2023-06-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0926-3373 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 22.1 Times cited Open Access Not_Open_Access  
  Notes This work is supported by the China Scholarship Council (No. 201806060123); and the VLAIO Catalisti transition project CO2PERATE (HBC.2017.0692). K.Z acknowledges the EASiCHEM project funded by the Flemish Strategic Basic Research Program of the Catalisti cluster and Flanders Innovation & Entrepreneurship (HBC.2018.0484). Approved Most recent IF: 22.1; 2023 IF: 9.446  
  Call Number PLASMANT @ plasmant @c:irua:196955 Serial 8797  
Permanent link to this record
 

 
Author Wang, J.; Zhang, K.; Mertens, M.; Bogaerts, A.; Meynen, V. pdf  url
doi  openurl
  Title Plasma-based dry reforming of methane in a dielectric barrier discharge reactor: Importance of uniform (sub)micron packings/catalysts to enhance the performance Type A1 Journal Article
  Year 2023 Publication APPLIED CATALYSIS B-ENVIRONMENTAL Abbreviated Journal  
  Volume 337 Issue Pages 122977  
  Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;  
  Abstract This study presents new insights on the effect of (sub)micrometer particle sized materials in plasma-based CO2-

CH4 reforming by investigating the performance of SiO2 spheres (with/without supported metal) of varying

particle sizes. (Sub)micron particles synthesized through the St¨ober method were used instead of (sub)millimeter

particles employed in previous studies. Increasing particle size (from 120 nm to 2390 nm) was found to first

increase and then decrease conversion and energy yield, with optimal performance achieved using 740 nm 5 wt%

Ni loaded SiO2, which improved CO2 and CH4 conversion, and energy yield to 44%, 55%, and 0.271 mmol/kJ,

respectively, compared to 20%, 27%, and 0.116 mmol/kJ in an empty reactor at the same flow rate. This is the

first to achieve significant performance improvement in a fully packed reactor, highlighting the importance of

selecting a suitable particle size. The findings can offer guidance towards rational design of catalysts for plasmabased

reactions.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001056527600001 Publication Date 2023-06-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0926-3373 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 22.1 Times cited Open Access Not_Open_Access  
  Notes This work is supported by the China Scholarship Council (No. 201806060123); and the VLAIO Catalisti transition project CO2PERATE (HBC.2017.0692). K.Z acknowledges the EASiCHEM project funded by the Flemish Strategic Basic Research Program of the Catalisti cluster and Flanders Innovation & Entrepreneurship (HBC.2018.0484). Approved Most recent IF: 22.1; 2023 IF: 9.446  
  Call Number PLASMANT @ plasmant @c:irua:196955 Serial 8798  
Permanent link to this record
 

 
Author Beckwee, E.J.; Watson, G.; Houlleberghs, M.; Arenas Esteban, D.; Bals, S.; Van Der Voort, P.; Breynaert, E.; Martens, J.; Baron, G.V.; Denayer, J.F.M. url  doi
openurl 
  Title Enabling hydrate-based methane storage under mild operating conditions by periodic mesoporous organosilica nanotubes Type A1 Journal article
  Year 2023 Publication Heliyon Abbreviated Journal  
  Volume 9 Issue 7 Pages e17662-14  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Biomethane is a renewable natural gas substitute produced from biogas. Storage of this sustainable energy vector in confined clathrate hydrates, encapsulated in the pores of a host material, is a highly promising avenue to improve storage capacity and energy efficiency. Herein, a new type of periodic mesoporous organosilica (PMO) nanotubes, referred to as hollow ring PMO (HR-PMO), capable of promoting methane clathrate hydrate formation under mild working conditions (273 K, 3.5 MPa) and at high water loading (5.1 g water/g HR-PMO) is reported. Gravimetric uptake measurements reveal a steep single-stepped isotherm and a noticeably high methane storage capacity (0.55 g methane/g HR-PMO; 0.11 g methane/g water at 3.5 MPa). The large working capacity throughout consecutive pressure-induced clathrate hydrate formationdissociation cycles demonstrates the material's excellent recyclability (97% preservation of capacity). Supported by ex situ cryo-electron tomography and x-ray diffraction, HR-PMO nanotubes are hypothesized to promote clathrate hydrate nucleation and growth by distribution and confinement of water in the mesopores of their outer wall, along the central channels of the nanotubes and on the external nanotube surface. These findings showcase the potential for application of organosilica materials with hierarchical and interconnected pore systems for pressure-based storage of biomethane in confined clathrate hydrates.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001056264100001 Publication Date 2023-06-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2405-8440 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 4 Open Access OpenAccess  
  Notes E.J.B., G.W. and M.H. contributed equally to this work. M.H. acknowledges FWO for an FWO-SB fellowship. All authors acknowledge VLAIO for Moonshot funding (ARCLATH, n ? HBC.2019.0110, ARCLATH2, n ? HBC.2021.0254) . J.A.M. acknowledges the Flemish Government for long-term structural funding (Methusalem) and department EWI for infrastructure investment via the Hermes Fund (AH.2016.134) . NMRCoRe acknowledges the Flemish government, department EWI for financial support as International Research Infrastructure (I001321N: Nuclear Magnetic Resonance Spectroscopy Platform for Molecular Water Research) . J.A.M. acknowledges the European Research Council (ERC) for an Advanced Research Grant under the European Union's Horizon 2020 research and innovation program under grant agreement No. 834134 (WATUSO) . S.B acknowledges financial support by the Research Foundation Flanders (FWO grant G.0381.16N) . This project also received funding from the European Union's Horizon 2020 research and innovation program under grant agreement No 731019 (EUSMI) and No 815128 (REALNANO) . Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:199249 Serial 8862  
Permanent link to this record
 

 
Author Soenen, M.; Milošević, M.V. url  doi
openurl 
  Title Tunable magnon topology in monolayer CrI₃ under external stimuli Type A1 Journal article
  Year 2023 Publication Physical review materials Abbreviated Journal  
  Volume 7 Issue 8 Pages 084402-84409  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Two-dimensional (2D) honeycomb ferromagnets, such as monolayer chromium trihalides, are predicted to behave as topological magnon insulators, characterized by an insulating bulk and topologically protected edge states, giving rise to a thermal magnon Hall effect. Here we report the behavior of the topological magnons in monolayer CrI3 under external stimuli, including biaxial and uniaxial strain, electric gating, as well as in-plane and out-of-plane magnetic field, revealing that one can thereby tailor the magnetic states as well as the size and the topology of the magnonic bandgap. These findings broaden the perspective of using 2D magnetic materials to design topological magnonic devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001052941600003 Publication Date 2023-08-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.4 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 3.4; 2023 IF: NA  
  Call Number UA @ admin @ c:irua:199201 Serial 8947  
Permanent link to this record
 

 
Author Sa, J.; Hu, N.; Heyvaert, W.; Van Gordon, K.; Li, H.; Wang, L.; Bals, S.; Liz-Marzán, L.M.; Ni, W. pdf  url
doi  openurl
  Title Spontaneous Chirality Evolved at the Au–Ag Interface in Plasmonic Nanorods Type A1 Journal article
  Year 2023 Publication Chemistry of materials Abbreviated Journal Chem. Mater.  
  Volume Issue Pages  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Chiral ligands are considered a required ingredient during the synthesis of dissymmetric plasmonic metal nanocrystals. The mechanism behind the generation of chiral structures involves the formation of high Miller index chiral facets, induced by the adsorption of such chiral ligands. We found however that, chirality can also evolve spontaneously, without the involvement of any chiral ligands, during the co-deposition of Au and Ag on Au nanorods. When using a specific Au/Ag ratio, phase segregation of the two metals leads to an interface within the obtained AuAg shell, which can be exposed by removing the Ag component via oxidative etching. Although a close-to-racemic mixture of chiral Au nanorods with right and left handedness is found in solution, electron tomography analysis evidences left- and righthanded helicities, both at the Au-Ag interface and at the exposed surface of Au NRs after Ag etching. The helicity profile of the NRs indicates dominating inclination angles in a range from 30° to 60°. Single-particle optical characterization also reveals random handedness in the plasmonic response of individual nanorods. We hypothesize that, the origin of chirality is related with symmetry breaking during the co-deposition of Au and Ag, through an initial perturbation in a small region on the Au-Ag interface that eventually leads to chiral segregation throughout the nanocrystal.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001052093300001 Publication Date 2023-08-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 8.6 Times cited Open Access OpenAccess  
  Notes The authors acknowledge the financial support from the National Natural Science Foundation of China (grant 22074102). LMLM acknowledges funding from 26 MCIN/AEI/10.13039/501100011033 and “ESF Investing in your future” (Grant PID2020- 117779RB-I00). This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 823717 – ESTEEM3.; Ministerio de Ciencia e Innovaci?n, PID2020-117779RB-I00 ; H2020 Research Infrastructures, 823717 ; European Social Fund, PID2020-117779RB-I00 ; National Natural Science Foundation of China, 22074102 ; Approved Most recent IF: 8.6; 2023 IF: 9.466  
  Call Number EMAT @ emat @c:irua:198151 Serial 8810  
Permanent link to this record
 

 
Author Vega-Paredes, M.; Aymerich-Armengol, R.; Arenas Esteban, D.; Marti-Sanchez, S.; Bals, S.; Scheu, C.; Manjon, A.G. url  doi
openurl 
  Title Electrochemical stability of rhodium-platinum core-shell nanoparticles : an identical location scanning transmission electron microscopy study Type A1 Journal article
  Year 2023 Publication ACS nano Abbreviated Journal  
  Volume 17 Issue 17 Pages 16943-16951  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Rhodium-platinum core-shell nanoparticleson a carbonsupport (Rh@Pt/C NPs) are promising candidates as anode catalystsfor polymer electrolyte membrane fuel cells. However, their electrochemicalstability needs to be further explored for successful applicationin commercial fuel cells. Here we employ identical location scanningtransmission electron microscopy to track the morphological and compositionalchanges of Rh@Pt/C NPs during potential cycling (10 000 cycles,0.06-0.8 V-RHE, 0.5 H2SO4)down to the atomic level, which are then used for understanding thecurrent evolution occurring during the potential cycles. Our resultsreveal a high stability of the Rh@Pt/C system and point toward particledetachment from the carbon support as the main degradation mechanism.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001051495900001 Publication Date 2023-08-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1936-0851 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 17.1 Times cited 2 Open Access OpenAccess  
  Notes The authors would like to thank C. Bodirsky for providing the samples, N. Rivas Rivas for his corrections on the manuscript, and D. Chatain for providing her expertise on the equilibrium shape of nanoparticles. Special thanks to B. Breitbach for performing the XRD experiments. A.G.M. acknowledges the Grant RYC2021-033479- I funded by MCIN/AEI/10.13039/501100011033 and, as appropriate, by European Union NextGenerationEU/PRTR. Approved Most recent IF: 17.1; 2023 IF: 13.942  
  Call Number UA @ admin @ c:irua:199253 Serial 8859  
Permanent link to this record
 

 
Author Verbruggen, L.; Verheggen, L.; Vanhoutte, G.; Loly, C.; Lybaert, W.; Borbath, I.; Vergauwe, P.; Hendrickx, K.; Debeuckelaere, C.; de Haar-Holleman, A.; Van Laethem, J.-L.; Peeters, M. url  doi
openurl 
  Title A real-world analysis on the efficacy and tolerability of liposomal irinotecan plus 5-fluorouracil and folinic acid in metastatic pancreatic ductal adenocarcinoma in Belgium Type A1 Journal article
  Year 2023 Publication Therapeutic advances in medical oncology Abbreviated Journal  
  Volume 15 Issue Pages 1-13  
  Keywords A1 Journal article; Center for Oncological Research (CORE)  
  Abstract Background: Currently, nanoliposomal irinotecan (nal-IRI) + 5-fluorouracil/folinic acid (5-FU/ LV) is the only approved second-line treatment for patients suffering from metastatic pancreatic ductal adenocarcinoma (mPDAC). However, also other chemotherapeutic regimens are used in this setting and due to the lack of clear real-world data on the efficacy of the different regimens, there is no consensus on the optimal treatment sequence for mPDAC patients. Objectives: To provide information on the safe and efficacious use of nal-IRI + 5-FU/LV in clinical practice in Belgium, which is needed for healthcare professionals to estimate the risk-benefit ratio of the intervention. Methods: Medical data of adult patients with mPDAC who were treated with nal-IRI + 5-FU/ LV in one of the participating Belgian hospitals were retrospectively collected. Kaplan-Meier analysis was performed to obtain survival curves to estimate the median overall survival (OS) and progression-free survival (PFS). All other results were presented descriptively. Results: A total of 56 patients [median age at diagnosis: 69 years (range 43 years), 57.1% male] were included. Patients received a median of 5 (range 49 cycles) nal-IRI + 5-FU/LV cycles, extended over 10 weeks (range 130.8 weeks). The median start dose for nal-IRI was 70 mg/ m(2) (range 49.24 mg/m(2)) and chemotherapy dose reduction and delay occurred in, respectively, 42.8% and 37.5% of the patients. The median OS was 6.8 months (95% CI: 5.6-8.4 months) with a 6-month survival rate of 57.4% and a 1-year survival rate of 27.8% in the overall study population. The median OS for patients treated with nal-IRI as second-line therapy or as laterline treatment was, respectively, 6.8 months (95% CI: 5.9-7.0 months) and 5.6 months (95% CI: 4.2-no upper limit). In the overall study population, a median PFS of 3.1 months (95% CI: 2.4-4.6 months) and a disease control rate of 48.3%, comprising 30.4% stable disease, 16.1% partial and 1.8% complete response, was observed. The median PFS for patients treated with nal-IRI as second-line therapy was 3.9 months (95% CI: 2.8-4.8 months) while this was 2.4 months (95% CI: 1.9-9.1 months) for those that received nal-IRI in a later-line treatment. In terms of safety, gastrointestinal problems occurred most (64.3% of the patients) and from all reported treatment emergent adverse events, 39.2% were grade 3 or 4. Conclusion: Nal-IRI + 5-FU/LV is a valuable, effective, and safe sequential treatment option following gemcitabine-based therapy in patients with mPDAC.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001051446400001 Publication Date 2023-08-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1758-8340; 1758-8359 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 4.9 Times cited Open Access  
  Notes Approved Most recent IF: 4.9; 2023 IF: 6.294  
  Call Number UA @ admin @ c:irua:199296 Serial 9183  
Permanent link to this record
 

 
Author Reynaert, S.; Vienne, A.; de Boeck, H.J.; D'Hose, T.; Janssens, I.; Nijs, I.; Portillo-Estrada, M.; Verbruggen, E.; Vicca, S. pdf  doi
openurl 
  Title Basalt addition improves the performance of young grassland monocultures under more persistent weather featuring longer dry and wet spells Type A1 Journal article
  Year 2023 Publication Agricultural and forest meteorology Abbreviated Journal  
  Volume 340 Issue 1 Pages 109610  
  Keywords A1 Journal article; Plant and Ecosystems (PLECO) – Ecology in a time of change  
  Abstract Global warming is altering the intra-annual variability of precipitation patterns in the mid-latitudes, including a shift towards longer dry and wet spells compared to historic averages. Such fluctuations will likely alter soil water and nutrient dynamics of managed ecosystems which could negatively influence their functioning (e.g., productivity and fodder quality). Here, we investigated whether basalt addition could attenuate effects of increasingly persistent precipitation regimes (PR) on two agricultural grassland monocultures differing in drought resistance (low: Lolium perenne (LP) vs high: Festulolium (FL)) and digestibility (high: LP, low: FL), while improving soil C sequestration. In total, 32 experimental mesocosms were subjected to either a low (1-day wet/ dry alternation) or a highly (30-day wet/dry alternation) persistent PR over 120 days, keeping total precipitation equal. In half of these mesocosms, we mixed basalt with the top 20 cm soil layer at a rate of 50 t ha-1. Overall, 30-day PR increased average water availability resulting in improved aboveground biomass and shoot digestibility for both species, in spite of elevated physiological stress. These PR also increased shoot Si, K, N and C but reduced Ca accumulation. Basalt addition generally increased soil Al, Ni, Mg, Ca, P, K and Si availability without altering root biomass or total soil carbon. Moreover, differences in root N content and C:N ratio between species were reduced. Interestingly, basalt modified the PR effects on productivity. Within 30-day PR, basalt stimulated aboveground biomass (& PLUSMN;14%) and root Si and K contents without altering plant digestibility, palatability, crude protein content or Ni/Al content. These results indicate that basalt can stimulate grassland productivity and soil nutrient availability under more persistent PR without negatively affecting fodder quality. Hence, basalt application may improve the performance of young temperate grassland monocultures under climate change, though dry soil conditions may limit effects on soil C sequestration during summer.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001051084500001 Publication Date 2023-07-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0168-1923 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.2 Times cited Open Access  
  Notes Approved Most recent IF: 6.2; 2023 IF: 3.887  
  Call Number UA @ admin @ c:irua:199204 Serial 9189  
Permanent link to this record
 

 
Author Yang, S.; An, H.; Arnouts, S.; Wang, H.; Yu, X.; de Ruiter, J.; Bals, S.; Altantzis, T.; Weckhuysen, B.M.; van der Stam, W. url  doi
openurl 
  Title Halide-guided active site exposure in bismuth electrocatalysts for selective CO₂ conversion into formic acid Type A1 Journal article
  Year 2023 Publication Nature Catalysis Abbreviated Journal  
  Volume 6 Issue 9 Pages 796-806  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)  
  Abstract It remains a challenge to identify the active sites of bismuth catalysts in the electrochemical CO2 reduction reaction. Here we show through in situ characterization that the activation of bismuth oxyhalide electrocatalysts to metallic bismuth is guided by the halides. In situ X-ray diffraction results show that bromide promotes the selective exposure of planar bismuth surfaces, whereas chloride and iodide result in more disordered active sites. Furthermore, we find that bromide-activated bismuth catalysts outperform the chloride and iodide counterparts, achieving high current density (>100 mA cm(-2)) and formic acid selectivity (>90%), suggesting that planar bismuth surfaces are more active for the electrochemical CO2 reduction reaction. In addition, in situ X-ray absorption spectroscopy measurements reveal that the reconstruction proceeds rapidly in chloride-activated bismuth and gradually when bromide is present, facilitating the formation of ordered planar surfaces. These findings show the pivotal role of halogens on selective facet exposure in activated bismuth-based electrocatalysts during the electrochemical CO2 reduction reaction.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001050367400001 Publication Date 2023-08-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2520-1158 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 37.8 Times cited 13 Open Access OpenAccess  
  Notes B.M.W. acknowledges support from the Strategic UU-TU/e Alliance project 'Joint Centre for Chemergy Research' as well as from the Netherlands Center for Multiscale Catalytic Energy Conversion (MCEC), an NWO gravitation programme funded by the Ministry of Education, Culture and Science of the government of the Netherlands. S.B. acknowledges support from the European Research Council (ERC Consolidator Grant #815128 REALNANO). S.A. and T.A. acknowledge funding from the University of Antwerp Research fund (BOF). We also thank J. Wijten, J. Janssens and T. Prins (all from the Inorganic Chemistry and Catalysis group, Utrecht University) for helpful technical support. S. Deelen (Faculty of Science, Utrecht University) and L. Wu (Inorganic Chemistry and Catalysis group, Utrecht University) are acknowledged for the design of the in situ XRD cell. We also acknowledge B. Detlefs, P. Glatzel and V. Paidi (ESRF) for the support during the HERFD-XANES measurements on the ID26 beamline of the ESRF. Approved Most recent IF: 37.8; 2023 IF: NA  
  Call Number UA @ admin @ c:irua:199190 Serial 8877  
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Author Chekol Zewdie, M.; Moretti, M.; Tenessa, D.B.; Van Passel, S. pdf  doi
openurl 
  Title Farmers' preferences and willingness to pay for improved irrigation water supply program : a discrete choice experiment Type A1 Journal article
  Year 2023 Publication Environment, development and sustainability Abbreviated Journal  
  Volume Issue Pages 1-24  
  Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)  
  Abstract This study examines smallholder farmers' preferences and willingness to pay for an improved irrigation water supply program in northwest Ethiopia. We employed a discrete choice experiment with five attributes and three levels. Data were collected from randomly selected sample households of both irrigation users and non-users. A total of 379 respondents participated, and a mixed logit model was used to analyze the household-level survey data. The result indicates that to deviate from the business-as-usual scenario, smallholder farmers are willing to pay between 3,228 and 8,327 Ethiopian Birr per hectare of irrigated land. Furthermore, the results showed a strong public preference for access to produce cash crops, followed by irrigation water availability in the dry season, and adequate access to improved farm inputs. The results also provide useful information for policymakers and suggested possibilities for generating finance from farmers to cover the operation and maintenance costs of irrigation schemes. Also, this study result reveals that irrigation development and expansion must be integrated into a comprehensive support package that combines irrigation water with access to improved farm inputs and access to produce cash crops on farmers' farm plots.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001048896000004 Publication Date 2023-08-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1387-585x; 1573-2975 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.9 Times cited Open Access  
  Notes Approved Most recent IF: 4.9; 2023 IF: NA  
  Call Number UA @ admin @ c:irua:198283 Serial 9204  
Permanent link to this record
 

 
Author Conti, S.; Chaves, A.; Pandey, T.; Covaci, L.; Peeters, F.M.; Neilson, D.; Milošević, M.V. url  doi
openurl 
  Title Flattening conduction and valence bands for interlayer excitons in a moire MoS₂/WSe₂ heterobilayer Type A1 Journal article
  Year 2023 Publication Nanoscale Abbreviated Journal  
  Volume Issue Pages 1-11  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract We explore the flatness of conduction and valence bands of interlayer excitons in MoS2/WSe2 van der Waals heterobilayers, tuned by interlayer twist angle, pressure, and external electric field. We employ an efficient continuum model where the moire pattern from lattice mismatch and/or twisting is represented by an equivalent mesoscopic periodic potential. We demonstrate that the mismatch moire potential is too weak to produce significant flattening. Moreover, we draw attention to the fact that the quasi-particle effective masses around the Gamma-point and the band flattening are reduced with twisting. As an alternative approach, we show (i) that reducing the interlayer distance by uniform vertical pressure can significantly increase the effective mass of the moire hole, and (ii) that the moire depth and its band flattening effects are strongly enhanced by accessible electric gating fields perpendicular to the heterobilayer, with resulting electron and hole effective masses increased by more than an order of magnitude – leading to record-flat bands. These findings impose boundaries on the commonly generalized benefits of moire twistronics, while also revealing alternative feasible routes to achieve truly flat electron and hole bands to carry us to strongly correlated excitonic phenomena on demand.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001047512300001 Publication Date 2023-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364; 2040-3372 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.7 Times cited 1 Open Access Not_Open_Access: Available from 25.01.2024  
  Notes Approved Most recent IF: 6.7; 2023 IF: 7.367  
  Call Number UA @ admin @ c:irua:198290 Serial 8819  
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Author Mazzola, F.; Hassani, H.; Amoroso, D.; Chaluvadi, S.K.; Fujii, J.; Polewczyk, V.; Rajak, P.; Koegler, M.; Ciancio, R.; Partoens, B.; Rossi, G.; Vobornik, I.; Ghosez, P.; Orgiani, P. url  doi
openurl 
  Title Unveiling the electronic structure of pseudotetragonal WO₃ thin films Type A1 Journal article
  Year 2023 Publication The journal of physical chemistry letters Abbreviated Journal  
  Volume 14 Issue 32 Pages 7208-7214  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract WO3 isa 5d compound that undergoes severalstructuraltransitions in its bulk form. Its versatility is well-documented,with a wide range of applications, such as flexopiezoelectricity,electrochromism, gating-induced phase transitions, and its abilityto improve the performance of Li-based batteries. The synthesis ofWO(3) thin films holds promise in stabilizing electronicphases for practical applications. However, despite its potential,the electronic structure of this material remains experimentally unexplored.Furthermore, its thermal instability limits its use in certain technologicaldevices. Here, we employ tensile strain to stabilize WO3 thin films, which we call the pseudotetragonal phase, and investigateits electronic structure using a combination of photoelectron spectroscopyand density functional theory calculations. This study reveals theFermiology of the system, notably identifying significant energy splittingsbetween different orbital manifolds arising from atomic distortions.These splittings, along with the system's thermal stability,offer a potential avenue for controlling inter- and intraband scatteringfor electronic applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001044522400001 Publication Date 2023-08-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1948-7185 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 5.7 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 5.7; 2023 IF: 9.353  
  Call Number UA @ admin @ c:irua:198391 Serial 8951  
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Author Fang, C.; Verbrigghe, N.; Sigurdsson, B.D.D.; Ostonen, I.; Leblans, N.I.W.; Maranon-Jimenez, S.; Fuchslueger, L.; Sigurosson, P.; Meeran, K.; Portillo-Estrada, M.; Verbruggen, E.; Richter, A.; Sardans, J.; Penuelas, J.; Bahn, M.; Vicca, S.; Janssens, I.A. doi  openurl
  Title Decadal soil warming decreased vascular plant above and belowground production in a subarctic grassland by inducing nitrogen limitation Type A1 Journal article
  Year 2023 Publication New phytologist Abbreviated Journal  
  Volume 240 Issue 2 Pages 565-576  
  Keywords A1 Journal article; Plant and Ecosystems (PLECO) – Ecology in a time of change  
  Abstract Below and aboveground vegetation dynamics are crucial in understanding how climate warming may affect terrestrial ecosystem carbon cycling. In contrast to aboveground biomass, the response of belowground biomass to long-term warming has been poorly studied. Here, we characterized the impacts of decadal geothermal warming at two levels (on average +3.3 degrees C and +7.9 degrees C) on below and aboveground plant biomass stocks and production in a subarctic grassland. Soil warming did not change standing root biomass and even decreased fine root production and reduced aboveground biomass and production. Decadal soil warming also did not significantly alter the root-shoot ratio. The linear stepwise regression model suggested that following 10 yr of soil warming, temperature was no longer the direct driver of these responses, but losses of soil N were. Soil N losses, due to warming-induced decreases in organic matter and water retention capacity, were identified as key driver of the decreased above and belowground production. The reduction in fine root production was accompanied by thinner roots with increased specific root area. These results indicate that after a decade of soil warming, plant productivity in the studied subarctic grassland was affected by soil warming mainly by the reduction in soil N.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001043561400001 Publication Date 2023-08-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0028-646x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.4 Times cited Open Access  
  Notes Approved Most recent IF: 9.4; 2023 IF: 7.33  
  Call Number UA @ admin @ c:irua:198443 Serial 9199  
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Author Ying, J.; Xiao, Y.; Chen, J.; Hu, Z.-Y.; Tian, G.; Van Tendeloo, G.; Zhang, Y.; Symes, M.D.D.; Janiak, C.; Yang, X.-Y. pdf  doi
openurl 
  Title Fractal design of hierarchical PtPd with enhanced exposed surface atoms for highly catalytic activity and stability Type A1 Journal article
  Year 2023 Publication Nano letters Abbreviated Journal  
  Volume 23 Issue 16 Pages 7371-7378  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Hierarchicalassembly of arc-like fractal nanostructures not onlyhas its unique self-similarity feature for stability enhancement butalso possesses the structural advantages of highly exposed surface-activesites for activity enhancement, remaining a great challenge for high-performancemetallic nanocatalyst design. Herein, we report a facile strategyto synthesize a novel arc-like hierarchical fractal structure of PtPdbimetallic nanoparticles (h-PtPd) by using pyridinium-type ionic liquidsas the structure-directing agent. Growth mechanisms of the arc-likenanostructured PtPd nanoparticles have been fully studied, and precisecontrol of the particle sizes and pore sizes has been achieved. Dueto the structural features, such as size control by self-similaritygrowth of subunits, structural stability by nanofusion of subunits,and increased numbers of exposed active atoms by the curved homoepitaxialgrowth, h-PtPd displays outstanding electrocatalytic activity towardoxygen reduction reaction and excellent stability during hydrothermaltreatment and catalytic process.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001042181100001 Publication Date 2023-08-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 10.8 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 10.8; 2023 IF: 12.712  
  Call Number UA @ admin @ c:irua:198408 Serial 8870  
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Author Samal, D.; Gauquelin, N.; Takamura, Y.; Lobato, I.; Arenholz, E.; Van Aert, S.; Huijben, M.; Zhong, Z.; Verbeeck, J.; Van Tendeloo, G.; Koster, G. url  doi
openurl 
  Title Unusual structural rearrangement and superconductivity in infinite layer cuprate superlattices Type A1 Journal article
  Year 2023 Publication Physical review materials Abbreviated Journal  
  Volume 7 Issue 5 Pages 054803  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001041792100007 Publication Date 2023-05-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.4 Times cited Open Access OpenAccess  
  Notes Air Force Office of Scientific Research; European Office of Aerospace Research and Development, FA8655-10-1-3077 ; Office of Science, DE-AC02-05CH11231 ; National Science Foundation, DMR-1745450 ; Seventh Framework Programme, 278510 ; Bijzonder Onderzoeksfonds UGent; Approved Most recent IF: 3.4; 2023 IF: NA  
  Call Number EMAT @ emat @c:irua:196973 Serial 8790  
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Author Zhang, Y.; van Schayck, J.P.; Pedrazo-Tardajos, A.; Claes, N.; Noteborn, W.E.M.; Lu, P.-H.; Duimel, H.; Dunin-Borkowski, R.E.; Bals, S.; Peters, P.J.; Ravelli, R.B.G. pdf  url
doi  openurl
  Title Charging of vitreous samples in cryogenic electron microscopy mitigated by graphene Type A1 Journal article
  Year 2023 Publication ACS nano Abbreviated Journal  
  Volume 17 Issue 16 Pages 15836-15846  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Cryogenic electronmicroscopy can provide high-resolution reconstructionsof macromolecules embedded in a thin layer of ice from which atomicmodels can be built de novo. However, the interactionbetween the ionizing electron beam and the sample results in beam-inducedmotion and image distortion, which limit the attainable resolutions.Sample charging is one contributing factor of beam-induced motionsand image distortions, which is normally alleviated by including partof the supporting conducting film within the beam-exposed region.However, routine data collection schemes avoid strategies wherebythe beam is not in contact with the supporting film, whose rationaleis not fully understood. Here we characterize electrostatic chargingof vitreous samples, both in imaging and in diffraction mode. We mitigatesample charging by depositing a single layer of conductive grapheneon top of regular EM grids. We obtained high-resolution single-particleanalysis (SPA) reconstructions at 2 & ANGS; when the electron beamonly irradiates the middle of the hole on graphene-coated grids, usingdata collection schemes that previously failed to produce sub 3 & ANGS;reconstructions without the graphene layer. We also observe that theSPA data obtained with the graphene-coated grids exhibit a higher b factor and reduced particle movement compared to dataobtained without the graphene layer. This mitigation of charging couldhave broad implications for various EM techniques, including SPA andcryotomography, and for the study of radiation damage and the developmentof future sample carriers. Furthermore, it may facilitate the explorationof more dose-efficient, scanning transmission EM based SPA techniques.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001041649900001 Publication Date 2023-08-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1936-0851 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 17.1 Times cited Open Access OpenAccess  
  Notes We thank H. Nguyen for editing the manuscript. We warmly thank the M4i Microscopy CORE Lab team of FHML Maastricht University (MU) for their support and collaboration and Eve Timlin and Ye Gao (MU) for providing protein samples. Members of the Amsterdam Scientific Instruments team are acknowledged for their Timepix detector support. This work benefited from access to The Netherlands Centre for Electron Nanoscopy (NeCEN) with assistance from Ludovic Renault and Meindert Lamers. The authors acknowledge financial support of the Netherlands Electron Microscopy Infrastructure (NEMI), project number 184.034.014 of the National Roadmap for Large-Scale Research Infrastructure of the Dutch Research Council (NWO), the PPP Allowance made available by Health-Holland, Top Sector Life Sciences & Health, to stimulate public-private partnerships, project 4DEM, number LSHM21029, and the LINK program from the Province of Limburg, The Netherlands, as well as financial support from the European Commission under the Horizon 2020 Programme by grant no. 815128 (REALNANO). Approved Most recent IF: 17.1; 2023 IF: 13.942  
  Call Number UA @ admin @ c:irua:198376 Serial 8840  
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Author Monico, L.; d'Acapito, F.; Cotte, M.; Janssens, K.; Romani, A.; Ricci, G.; Miliani, C.; Cartechini, L. pdf  url
doi  openurl
  Title Total electron yield (TEY) detection mode Cr K-edge XANES spectroscopy as a direct method to probe the composition of the surface of darkened chrome yellow (PbCr1-xSxO4) and potassium chromate paints Type A1 Journal article
  Year 2023 Publication Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms Abbreviated Journal  
  Volume 539 Issue Pages 141-147  
  Keywords A1 Journal article; Engineering sciences. Technology; Antwerp X-ray Imaging and Spectroscopy (AXIS)  
  Abstract The darkening of chromate-pigments, including chrome yellows (PbCr1-xSxO4), is a surface phenomenon affecting late 19th-early 20th c. paintings, such as those by Van Gogh. Exploring analytical strategies that contribute to a deep understanding of darkening is therefore significant for the long-term conservation of unique masterpieces. Here, we examined the capabilities of Cr K-edge XANES spectroscopy collected at the same time in X-ray fluorescence yield (XFY) and total electron yield (TEY) detection modes to selectively study the surface composition of darkened oil paint mock-ups composed of chrome yellow (PbCr0.2S0.8O4) or potassium chromate. By discussing advantages and drawbacks in using XFY/TEY modes in relation to XFY & mu;-XANES analysis from sectioned samples, we aim at assessing if TEY-XANES spectroscopy: (i) is a selective surface method to determine the abundance of different Cr-species from paint fragments; (ii) can contribute to optimize the analytical strategy by limiting time consuming sample preparation procedures; (iii) can decrease the probability of radiation damage.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001041485400001 Publication Date 2023-04-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0168-583x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.3 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 1.3; 2023 IF: 1.109  
  Call Number UA @ admin @ c:irua:198427 Serial 8944  
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Author Saniz, R.; Baldinozzi, G.; Arts, I.; Lamoen, D.; Leinders, G.; Verwerft, M. pdf  url
doi  openurl
  Title Charge order, frustration relief, and spin-orbit coupling in U3O8 Type A1 Journal article
  Year 2023 Publication Physical review materials Abbreviated Journal  
  Volume 7 Issue 5 Pages 054410  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Research efforts on the description of the low-temperature magnetic order and electronic properties of U3O8 have been inconclusive so far. Reinterpreting neutron scattering results, we use group representation theory to show that the ground state presents collinear out-of-plane magnetic moments, with antiferromagnetic coupling both in-layer and between layers. Charge order relieves the initial geometric frustration, generating a slightly distorted honeycomb sublattice with Néel-type order. The precise knowledge of the characteristics of this magnetic ground state is then used to explain the fine features of the band gap. In this system, spin-orbit coupling (SOC) is of critical importance, as it strongly affects the electronic structure, narrowing the gap by ∼38%, compared to calculations neglecting SOC. The predicted electronic structure actually explains the salient features of recent optical absorption measurements, further demonstrating the excellent agreement between the calculated ground state properties and experiment.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001041429800007 Publication Date 2023-05-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.4 Times cited Open Access OpenAccess  
  Notes Financial support for this research was partly provided by the Energy Transition Fund of the Belgian FPS Economy (Project SF-CORMOD Spent Fuel CORrosion MODeling).Fonds Wetenschappelijk Onderzoek; Vlaams Supercomputer Centrum; Universiteit Antwerpen; Vlaamse regering; Approved Most recent IF: 3.4; 2023 IF: NA  
  Call Number EMAT @ emat @c:irua:197043 Serial 8796  
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Author Pandey, T.; Peeters, F.M.; Milošević, M.V. doi  openurl
  Title High thermoelectric figure of merit in p-type Mg₃Si₂Te₆: role of multi-valley bands and high anharmonicity Type A1 Journal article
  Year 2023 Publication Journal of materials chemistry C : materials for optical and electronic devices Abbreviated Journal  
  Volume 11 Issue 33 Pages 11185-11194  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Silicon-based materials are attractive for thermoelectric applications due to their thermal stability, chemical inertness, and natural abundance of silicon. Here, using a combination of first-principles and Boltzmann transport calculations we report the thermoelectric properties of the recently synthesized compound Mg3Si2Te6. Our analysis reveals that Mg3Si2Te6 is a direct bandgap semiconductor with a bandgap of 1.6 eV. The combination of heavy and light valence bands, along with a high valley degeneracy, results in a large power factor under p-type doping. We also find that Mg is weakly bonded both within and between the layers, leading to low phonon group velocities. The vibrations of the Mg atoms are localized and make a significant contribution to phonon-phonon scattering. This high anharmonicity, coupled with low phonon group velocity, results in a low lattice thermal conductivity of & kappa;(l) = 0.5 W m(-1) K-1 at room temperature, along the cross-plane direction. Combining excellent electronic transport properties and low & kappa;(l), p-type Mg3Si2Te6 achieves figure-of-merit (zT) values greater than 1 at temperatures above 600 K. Specifically, a zT of 2.0 is found at 900 K along the cross-plane direction. Our findings highlight the importance of structural complexity and chemical bonding in electronic and phonon transport, providing guiding insights for further design of Si-based thermoelectrics.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001041124900001 Publication Date 2023-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7526; 2050-7534 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 6.4 Times cited 1 Open Access Not_Open_Access  
  Notes Approved Most recent IF: 6.4; 2023 IF: 5.256  
  Call Number UA @ admin @ c:irua:198296 Serial 8821  
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Author Tang, C.S.; Zeng, S.; Wu, J.; Chen, S.; Naradipa, M.A.; Song, D.; Milošević, M.V.; Yang, P.; Diao, C.; Zhou, J.; Pennycook, S.J.; Breese, M.B.H.; Cai, C.; Venkatesan, T.; Ariando, A.; Yang, M.; Wee, A.T.S.; Yin, X. url  doi
openurl 
  Title Detection of two-dimensional small polarons at oxide interfaces by optical spectroscopy Type A1 Journal article
  Year 2023 Publication Applied physics reviews Abbreviated Journal  
  Volume 10 Issue 3 Pages 031406-31409  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Two-dimensional (2D) perovskite oxide interfaces are ideal systems to uncover diverse emergent properties, such as the arising polaronic properties from short-range charge-lattice interactions. Thus, a technique to detect this quasiparticle phenomenon at the buried interface is highly coveted. Here, we report the observation of 2D small-polarons at the LaAlO3/SrTiO3 conducting interface using high-resolution spectroscopic ellipsometry. First-principles investigations show that interfacial electron-lattice coupling mediated by the longitudinal phonon mode facilitates the formation of these polarons. This study resolves the long-standing question by attributing the formation of interfacial 2D small polarons to the significant mismatch between experimentally measured interfacial carrier density and theoretical values. Our study sheds light on the complexity of broken periodic lattice-induced quasi-particle effects and its relationship with exotic phenomena at complex oxide interfaces. Meanwhile, this work establishes spectroscopic ellipsometry as a useful technique to detect and locate optical evidence of polaronic states and other emerging quantum properties at the buried interface.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001038283300001 Publication Date 2023-09-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1931-9401 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 15 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 15; 2023 IF: 13.667  
  Call Number UA @ admin @ c:irua:198433 Serial 8847  
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Author Abduvokhidov, D.; Yusupov, M.; Shahzad, A.; Attri, P.; Shiratani, M.; Oliveira, M.C.; Razzokov, J. url  doi
openurl 
  Title Unraveling the Transport Properties of RONS across Nitro-Oxidized Membranes Type A1 Journal Article
  Year 2023 Publication Biomolecules Abbreviated Journal Biomolecules  
  Volume 13 Issue 7 Pages 1043  
  Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;  
  Abstract The potential of cold atmospheric plasma (CAP) in biomedical applications has received significant interest, due to its ability to generate reactive oxygen and nitrogen species (RONS). Upon exposure to living cells, CAP triggers alterations in various cellular components, such as the cell membrane. However, the permeation of RONS across nitrated and oxidized membranes remains understudied. To address this gap, we conducted molecular dynamics simulations, to investigate the permeation capabilities of RONS across modified cell membranes. This computational study investigated the translocation processes of less hydrophilic and hydrophilic RONS across the phospholipid bilayer (PLB), with various degrees of oxidation and nitration, and elucidated the impact of RONS on PLB permeability. The simulation results showed that less hydrophilic species, i.e., NO, NO2, N2O4, and O3, have a higher penetration ability through nitro-oxidized PLB compared to hydrophilic RONS, i.e., HNO3, s-cis-HONO, s-trans-HONO, H2O2, HO2, and OH. In particular, nitro-oxidation of PLB, induced by, e.g., cold atmospheric plasma, has minimal impact on the penetration of free energy barriers of less hydrophilic species, while it lowers these barriers for hydrophilic RONS, thereby enhancing their translocation across nitro-oxidized PLB. This research contributes to a better understanding of the translocation abilities of RONS in the field of plasma biomedical applications and highlights the need for further analysis of their role in intracellular signaling pathways.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001035160000001 Publication Date 2023-06-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2218-273X ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access Not_Open_Access  
  Notes This research was funded by the Innovative Development Agency of the Republic of Uzbekistan, grant number FZ-2020092817. Approved Most recent IF: NA  
  Call Number PLASMANT @ plasmant @c:irua:198154 Serial 8803  
Permanent link to this record
 

 
Author Li, L.L.; Gillen, R.; Palummo, M.; Milošević, M.V.; Peeters, F.M. url  doi
openurl 
  Title Strain tunable interlayer and intralayer excitons in vertically stacked MoSe₂/WSe₂ heterobilayers Type A1 Journal article
  Year 2023 Publication Applied physics letters Abbreviated Journal  
  Volume 123 Issue 3 Pages 033102-33106  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Recently, interlayer and intralayer excitons in transition metal dichalcogenide heterobilayers have been studied both experimentally and theoretically. In spite of a growing interest, these layer-resolved excitons in the presence of external stimuli, such as strain, remain not fully understood. Here, using density-functional theory calculations with many-body effects, we explore the excitonic properties of vertically stacked MoSe2/WSe2 heterobilayer in the presence of in-plane biaxial strain of up to 5%. We calculate the strain dependence of exciton absorption spectrum, oscillator strength, wave function, and binding energy by solving the Bethe-Salpeter equation on top of the standard GW approach. We identify the interlayer and intralayer excitons by analyzing their electron-hole weights and spatial wave functions. We show that with the increase in strain magnitude, the absorption spectrum of the interlayer and intralayer excitons is red-shifted and re-ordered, and the binding energies of these layer-resolved excitons decrease monotonically and almost linearly. We derive the sensitivity of exciton binding energy to the applied strain and find that the intralayer excitons are more sensitive to strain than the interlayer excitons. For instance, a sensitivity of -7.9 meV/% is derived for the intra-MoSe2-layer excitons, which is followed by -7.4 meV/% for the intra-WSe2-layer excitons, and by -4.2 meV/% for the interlayer excitons. Our results indicate that interlayer and intralayer excitons in vertically stacked MoSe2/WSe2 heterobilayer are efficiently tunable by in-plane biaxial strain.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001033604700003 Publication Date 2023-07-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-6951; 1077-3118 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4 Times cited 2 Open Access OpenAccess  
  Notes Approved Most recent IF: 4; 2023 IF: 3.411  
  Call Number UA @ admin @ c:irua:198382 Serial 8823  
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Author Truta, F.; Drăgan, A.-M.; Tertis, M.; Parrilla, M.; Slosse, A.; Van Durme, F.; De Wael, K.; Cristea, C. url  doi
openurl 
  Title Electrochemical rapid detection of methamphetamine from confiscated samples using a graphene-based printed platform Type A1 Journal article
  Year 2023 Publication Sensors Abbreviated Journal  
  Volume 23 Issue 13 Pages 6193-18  
  Keywords A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)  
  Abstract Methamphetamine (MAP) is a highly addictive and illegal stimulant drug that has a significant impact on the central nervous system. Its detection in biological and street samples is crucial for various organizations involved in forensic medicine, anti-drug efforts, and clinical diagnosis. In recent years, nanotechnology and nanomaterials have played a significant role in the development of analytical sensors for MAP detection. In this study, a fast, simple, and cost-effective electrochemical sensor is presented that is used for the sensitive detection of MAP in confiscated street samples with a complex matrix. The optimized screen-printed sensor based on a carbon working electrode modified with graphene demonstrated an excellent limit of detection, good sensitivity, and a wide dynamic range (1–500 μM) for the target illicit drug both for standard solutions and real samples (seized samples, tap water, and wastewater samples). It can detect MAP at concentrations as low as 300 nM in real samples. This limit of detection is suitable for the rapid preliminary screening of suspicious samples in customs, ports, airports, and on the street. Furthermore, the sensor exhibits a good recovery rate, indicating its reliability and repeatability. This quality is crucial for ensuring consistent and accurate results during screening processes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001033277900001 Publication Date 2023-07-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1424-8220 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:198181 Serial 8857  
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Author Zhu, W.; Van Tendeloo, M.; Alloul, A.; Vlaeminck, S.E. pdf  doi
openurl 
  Title Feasibility of a return-sludge nursery concept for mainstream anammox biostimulation : creating optimal conditions for anammox to recover and grow in a parallel tank Type A1 Journal article
  Year 2023 Publication Bioresource technology Abbreviated Journal  
  Volume 385 Issue Pages 129359-12  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract To overcome limiting anammox activity under sewage treatment conditions, a return-sludge nursery concept is proposed. This concept involves blending sludge reject water treated with partial nitritation with mainstream effluent to increase the temperature, N levels, and electrical conductivity (EC) of the anammox nursery reactor, which sludge periodically passes through the return sludge line of the mainstream system. Various nursery frequencies were tested in two 2.5 L reactors, including 0.5-2 days of nursery treatment per 3.5-14 days of the total operation. Bioreactor experiments showed that nursery increased nitrogen removal rates during mainstream operation by 33-38%. The increased anammox activity can be partly (35-60%) explained by higher temperatures. Elevated EC, higher nitrogen concentrations, and a putative synergy and/or unknown factor were responsible for 15-16%, 12-14%, and 10-36%, respectively. A relatively stable microbial community was observed, dominated by a “Candidatus Brocadia” member. This new concept boosted activity and sludge growth, which may facilitate mainstream anammox implementations based on partial nitritation/anammox or partial nitrification/denitratation/anammox.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001031586400001 Publication Date 2023-06-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0960-8524 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 11.4 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 11.4; 2023 IF: 5.651  
  Call Number UA @ admin @ c:irua:198259 Serial 8866  
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Author Grubova, I.Y.; Surmenev, R.A.; Neyts, E.C.; Koptyug, A.V.; Volkova, A.P.; Surmeneva, M.A. url  doi
openurl 
  Title Combined first-principles and experimental study on the microstructure and mechanical characteristics of the multicomponent additive-manufactured Ti-35Nb-7Zr-5Ta alloy Type A1 Journal article
  Year 2023 Publication ACS Omega Abbreviated Journal  
  Volume 8 Issue 30 Pages 27519-27533  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract New & beta;-stabilizedTi-based alloys are highly promising forbone implants, thanks in part to their low elasticity. The natureof this elasticity, however, is as yet unknown. We here present combinedfirst-principles DFT calculations and experiments on the microstructure,structural stability, mechanical characteristics, and electronic structureto elucidate this origin. Our results suggest that the studied & beta;Ti-35Nb-7Zr-5Ta wt % (TNZT) alloy manufacturedby the electron-beam powder bed fusion (E-PBF) method has homogeneousmechanical properties (H = 2.01 & PLUSMN; 0.22 GPa and E = 69.48 & PLUSMN; 0.03 GPa) along the building direction,which is dictated by the crystallographic texture and microstructuremorphologies. The analysis of the structural and electronic properties,as the main factors dominating the chemical bonding mechanism, indicatesthat TNZT has a mixture of strong metallic and weak covalent bonding.Our calculations demonstrate that the softening in the Cauchy pressure(C & PRIME; = 98.00 GPa) and elastic constant C ̅ ( 44 ) = 23.84 GPa is the originof the low elasticity of TNZT. Moreover, the nature of this softeningphenomenon can be related to the weakness of the second and thirdneighbor bonds in comparison with the first neighbor bonds in theTNZT. Thus, the obtained results indicate that a carefully designedTNZT alloy can be an excellent candidate for the manufacturing oforthopedic internal fixation devices. In addition, the current findingscan be used as guidance not only for predicting the mechanical propertiesbut also the nature of elastic characteristics of the newly developedalloys with yet unknown properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001031269000001 Publication Date 2023-07-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2470-1343 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.1 Times cited Open Access  
  Notes Approved Most recent IF: 4.1; 2023 IF: NA  
  Call Number UA @ admin @ c:irua:198313 Serial 9011  
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Author Adhami Sayad Mahaleh, M.; Narimisa, M.; Nikiforov, A.; Gromov, M.; Gorbanev, Y.; Bitar, R.; Morent, R.; De Geyter, N. url  doi
openurl 
  Title Nitrogen Oxidation in a Multi-Pin Plasma System in the Presence and Absence of a Plasma/Liquid Interface Type A1 Journal Article
  Year 2023 Publication Applied Sciences Abbreviated Journal Applied Sciences  
  Volume 13 Issue 13 Pages 7619  
  Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;  
  Abstract The recent energy crisis revealed that there is a strong need to replace hydrocarbon-fueled industrial nitrogen fixation processes by alternative, more sustainable methods. In light of this, plasma-based nitrogen fixation remains one of the most promising options, considering both theoretical and experimental aspects. Lately, plasma interacting with water has received considerable attention in nitrogen fixation applications as it can trigger a unique gas- and liquid-phase chemistry. Within this context, a critical exploration of plasma-assisted nitrogen fixation with or without water presence is of great interest with an emphasis on energy costs, particularly in plasma reactors which have potential for large-scale industrial application. In this work, the presence of water in a multi-pin plasma system on nitrogen oxidation is experimentally investigated by comparing two pulsed negative DC voltage plasmas in metal–metal and metal–liquid electrode configurations. The plasma setups are designed to create similar plasma properties, including plasma power and discharge regime in both configurations. The system energy cost is calculated, considering nitrogen-containing species generated in gas and liquid phases as measured by a gas analyzer, nitrate sensor, and a colorimetry method. The energy cost profile as a function of specific energy input showed a strong dependency on the plasma operational frequency and the gas flow rate, as a result of different plasma operation regimes and initiated reverse processes. More importantly, the presence of the plasma/liquid interface increased the energy cost up to 14 ± 8%. Overall, the results showed that the presence of water in the reaction zone has a negative impact on the nitrogen fixation process.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001031217300001 Publication Date 2023-06-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2076-3417 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.7 Times cited Open Access Not_Open_Access  
  Notes NITROPLASM FWO-FNRS Excellence of Science, 30505023 ; European Union-NextGenerationEU, G0G2322N ; Approved Most recent IF: 2.7; 2023 IF: 1.679  
  Call Number PLASMANT @ plasmant @c:irua:198153 Serial 8802  
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Author Ag, K.R.; Minja, A.C.; Ninakanti, R.; Van Hal, M.; Dingenen, F.; Borah, R.; Verbruggen, S.W. pdf  url
doi  openurl
  Title Impact of soot deposits on waste gas-to-electricity conversion in a TiO₂/WO₃-based photofuel cell Type A1 Journal article
  Year 2023 Publication Chemical engineering journal Abbreviated Journal  
  Volume 470 Issue Pages 144390-13  
  Keywords A1 Journal article; Engineering sciences. Technology  
  Abstract An unbiased photo-fuel cell (PFC) is a device that integrates the functions of a photoanode and a cathode to achieve simultaneous light-driven oxidation and dark reduction reactions. As such, it generates electricity while degrading pollutants like volatile organic compounds (VOCs). The photoanode is excited by light to generate electron-hole pairs, which give rise to a photocurrent, and are utilized to oxidise organic pollutants simultaneously. Here we have systematically studied various TiO2/WO3 photoanodes towards their photocatalytic soot degradation performance, PFC performance in the presence of VOCs, and the combination of both. The latter thus mimics an urban environment where VOCs and soot are present simultaneously. The formation of a type-II heterojunction after the addition of a thin TiO2 top layer over a dense WO3 bottom layer, improved both soot oxidation efficiency as well as photocurrent generation, thus paving the way towards low-cost PFC technology for energy recovery from real polluted air.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 001030456200001 Publication Date 2023-06-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1385-8947; 1873-3212 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 15.1 Times cited Open Access Not_Open_Access: Available from 29.12.2023  
  Notes Approved Most recent IF: 15.1; 2023 IF: 6.216  
  Call Number UA @ admin @ c:irua:197222 Serial 8882  
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