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Author Albrechts, M.; Tsonev, I.; Bogaerts, A. pdf  url
doi  openurl
  Title Investigation of O atom kinetics in O2plasma and its afterglow Type A1 Journal Article
  Year 2024 Publication Plasma Sources Science and Technology Abbreviated Journal Plasma Sources Sci. Technol.  
  Volume 33 Issue 4 Pages 045017  
  Keywords A1 Journal Article; oxygen plasma, pseudo-1D plug-flow kinetic model, O atoms, low-pressure validation, atmospheric pressure microwave torch; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;  
  Abstract We have developed a comprehensive kinetic model to study the O atom kinetics in an O<sub>2</sub>plasma and its afterglow. By adopting a pseudo-1D plug-flow formalism within the kinetic model, our aim is to assess how far the O atoms travel in the plasma afterglow, evaluating its potential as a source of O atoms for post-plasma gas conversion applications. Since we could not find experimental data for pure O<sub>2</sub>plasma at atmospheric pressure, we first validated our model at low pressure (1–10 Torr) where very good experimental data are available. Good agreement between our model and experiments was achieved for the reduced electric field, gas temperature and the densities of the dominant neutral species, i.e. O<sub>2</sub>(a), O<sub>2</sub>(b) and O. Subsequently, we confirmed that the chemistry set is consistent with thermodynamic equilibrium calculations at atmospheric pressure. Finally, we investigated the O atom densities in the O<sub>2</sub>plasma and its afterglow, for which we considered a microwave O<sub>2</sub>plasma torch, operating at a pressure between 0.1 and 1 atm, for a flow rate of 20 slm and an specific energy input of 1656 kJ mol<sup>−1</sup>. Our results show that for both pressure conditions, a high dissociation degree of ca. 92% is reached within the discharge. However, the O atoms travel much further in the plasma afterglow for<italic>p</italic>= 0.1 atm (9.7 cm) than for<italic>p</italic>= 1 atm (1.4 cm), attributed to the longer lifetime (3.8 ms at 0.1 atm vs 1.8 ms at 1 atm) resulting from slower three-body recombination kinetics, as well as a higher volumetric flow rate.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 001209453500001 Publication Date 2024-04-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0963-0252 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.8 Times cited Open Access  
  Notes This research was supported by the Horizon Europe Framework Program ‘Research and Innovation Actions’ (RIA), Project CANMILK (Grant No. 101069491). Approved Most recent IF: 3.8; 2024 IF: 3.302  
  Call Number PLASMANT @ plasmant @c:irua:205920 Serial 9125  
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Author Khan, S.U.; Matshitse, R.; Borah, R.; Nemakal, M.; Moiseeva, E.O.; Dubinina, T.V.; Nyokong, T.; Verbruggen, S.W.; De Wael, K. url  doi
openurl 
  Title Coupling of phthalocyanines with plasmonic gold nanoparticles by click chemistry for an enhanced singlet oxygen based photoelectrochemical sensing Type A1 Journal article
  Year 2024 Publication ChemElectroChem Abbreviated Journal  
  Volume Issue Pages 1-11  
  Keywords A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab); Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS)  
  Abstract Coupling photosensitizers (PSs) with plasmonic nanoparticles increases the photocatalytic activity of PSs as the localized surface plasmon resonance (LSPR) of plasmonic nanoparticles leads to extreme concentration of light in their vicinity known as the near-field enhancement effect. To realize this in a colloidal phase, efficient conjugation of the PS molecules with the plasmonic nanoparticle surface is critical. In this work, we demonstrate the coupling of phthalocyanine (Pc) molecules with gold nanoparticles (AuNPs) in the colloidal phase via click chemistry. This conjugated Pc-AuNPs colloidal system is shown to enhance the photocatalytic singlet oxygen (1O2) production over non-conjugated Pcs and hence improve the photoelectrochemical detection of phenols. The plasmonic enhancement of the 1O2 generation by Pcs was clearly elucidated by complementary experimental and computational classical electromagnetic models. The dependence of plasmonic enhancement on the spectral position of the excitation laser wavelength and the absorbance of the Pc molecules with respect to the wavelength specific near-field enhancement is clearly demonstrated. A high similar to 8 times enhancement is obtained with green laser (532 nm) at the LSPR due to the maximum near-field enhancement at the resonance wavelength. Zinc phthalocyanine is covalently linked to plasmonic AuNPs via click chemistry to investigate the synergistic effect that boosts the overall activity toward the detection of HQ under visible light illumination. The 1O2 quantum yield of ZnPc improved significantly after conjugating with AuNPs, resulting in enhanced photoelectrochemical activity. image  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 001214481000001 Publication Date 2024-05-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2196-0216 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 4 Times cited Open Access  
  Notes Approved Most recent IF: 4; 2024 IF: 4.136  
  Call Number UA @ admin @ c:irua:205962 Serial 9142  
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Author Hassani, N.; Movafegh-Ghadirli, A.; Mahdavifar, Z.; Peeters, F.M.; Neek-Amal, M. pdf  doi
openurl 
  Title Two new members of the covalent organic frameworks family : crystalline 2D-oxocarbon and 3D-borocarbon structures Type A1 Journal article
  Year 2024 Publication Computational materials science Abbreviated Journal  
  Volume 241 Issue Pages 1-9  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Oxocarbons, known for over two centuries, have recently revealed a long-awaited facet: two-dimensional crystalline structures. Employing an intelligent global optimization algorithm (IGOA) alongside densityfunctional calculations, we unearthed a quasi -flat oxocarbon (C 6 0 6 ), featuring an oxygen -decorated hole, and a novel 3D-borocarbon. Comparative analyses with recently synthesized isostructures, such as 2D -porous carbon nitride (C 6 N 6 ) and 2D -porous boroxine (B 6 0 6 ), highlight the unique attributes of these compounds. All structures share a common stoichiometry of X 6 Y 6 (which we call COF-66), where X = B, C, and Y = B, N, O (with X not equal Y), exhibiting a 2D -crystalline structure, except for borocarbon C 6 B 6 , which forms a 3D crystal. In our comprehensive study, we conducted a detailed exploration of the electronic structure of X 6 Y 6 compounds, scrutinizing their thermodynamic properties and systematically evaluating phonon stability criteria. With expansive surface areas, diverse pore sizes, biocompatibility, pi-conjugation, and distinctive photoelectric properties, these structures, belonging to the covalent organic framework (COF) family, present enticing prospects for fundamental research and hold potential for biosensing applications.  
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  Language Wos (up) 001215960700001 Publication Date 2024-04-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0927-0256 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.3 Times cited Open Access  
  Notes Approved Most recent IF: 3.3; 2024 IF: 2.292  
  Call Number UA @ admin @ c:irua:206005 Serial 9179  
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Author Shafiei, M.; Fazileh, F.; Peeters, F.M.; Milošević, M.V. url  doi
openurl 
  Title Floquet engineering of axion and high-Chern number phases in a topological insulator under illumination Type A1 Journal article
  Year 2024 Publication SciPost Physics Core Abbreviated Journal  
  Volume 7 Issue 7 Pages 024-16  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Quantum anomalous Hall, high-Chern number, and axion phases in topological insulators are characterized by its Chern invariant C (respectively, C = 1, integer C > 1, and C = 0 with half-quantized Hall conductance of opposite signs on top and bottom surfaces). They are of recent interest because of novel fundamental physics and prospective applications, but identifying and controlling these phases has been challenging in practice. Here we show that these states can be created and switched between in thin films of Bi2Se3 by Floquet engineering, using irradiation by circularly polarized light. We present the calculated phase diagrams of encountered topological phases in Bi2Se3, as a function of wavelength and amplitude of light, as well as sample thickness, after properly taking into account the penetration depth of light and the variation of the gap in the surface states. These findings open pathways towards energy-efficient optoelectronics, advanced sensing, quantum information processing and metrology.  
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  Corporate Author Thesis  
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  Language Wos (up) 001217885300001 Publication Date 2024-05-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:205972 Serial 9151  
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Author Osorio-Tejada, J.; Escriba-Gelonch, M.; Vertongen, R.; Bogaerts, A.; Hessel, V. url  doi
openurl 
  Title CO₂ conversion to CO via plasma and electrolysis : a techno-economic and energy cost analysis Type A1 Journal article
  Year 2024 Publication Energy & environmental science Abbreviated Journal  
  Volume Issue Pages  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Electrification and carbon capture technologies are essential for achieving net-zero emissions in the chemical sector. A crucial strategy involves converting captured CO2 into CO, a valuable chemical feedstock. This study evaluates the feasibility of two innovative methods: plasma activation and electrolysis, using clean electricity and captured CO2. Specifically, it compares a gliding arc plasma reactor with an embedded novel carbon bed system to a modern zero-gap type low-temperature electrolyser. The plasma method stood out with an energy cost of 19.5 GJ per tonne CO, marking a 43% reduction compared to electrolysis and conventional methods. CO production costs for plasma- and electrolysis-based plants were $671 and $962 per tonne, respectively. However, due to high uncertainty regarding electrolyser costs, the CO production costs in electrolysis-based plants may actually range from $570 to $1392 per tonne. The carbon bed system in the plasma method was a key factor in facilitating additional CO generation from O-2 and enhancing CO2 conversion, contributing to its cost-effectiveness. Challenges for electrolysis included high costs of equipment and low current densities. Addressing these limitations could significantly decrease production costs, but challenges arise from the mutual relationship between intrinsic parameters, such as CO2 conversion, CO2 input flow, or energy cost. In a future scenario with affordable feedstocks and equipment, costs could drop below $500 per tonne for both methods. While this may be more challenging for electrolysis due to complexity and expensive catalysts, plasma-based CO production appears more viable and competitive.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 001218045900001 Publication Date 2024-05-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1754-5692; 1754-5706 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 32.5 Times cited Open Access  
  Notes Approved Most recent IF: 32.5; 2024 IF: 29.518  
  Call Number UA @ admin @ c:irua:205986 Serial 9138  
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Author Bampouli, A.; Goris, Q.; Hussain, M.N.; Louisnard, O.; Stefanidis, G.D.; Van Gerven, T. pdf  doi
openurl 
  Title Importance of design and operating parameters in a sonication system for viscous solutions : effects of input power, horn tip diameter and reactor capacity Type A1 Journal article
  Year 2024 Publication Chemical engineering and processing Abbreviated Journal  
  Volume 198 Issue Pages 109715-12  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract This study investigates the distribution of ultrasound (US) energy in a batch system for solutions with viscosity ranging from 1 to approximately 3000 mPas. Sonication was performed using horn type configurations operating at 20-30 kHz and rated power capacity of 50 or 200 W. Two different tip diameters (3 or 7 mm) and two insertion depths (35 or 25 mm) within vessels of different sizes ( approximate to 60 or 130 ml) were utilized. Additionally, a special conical tip design was employed. For each experimental setup, the calorimetric efficiency was estimated, the cavitationally active regions were visualized using the sonochemiluminescence (SCL) method and bubble cluster formation inside the vessel was macroscopically observed using a high speed camera (HSC). In the viscosity range tested, the calorimetry results showed that the efficiency and continuous operation of the device depend on both the rated power and the horn tip diameter. The ratio between electrical and calorimetric power input remained consistently around 40 to 50% across the different configurations for water, but for the 123.2 mPas solution exhibited significant variation ranging from 40 to 85%. Moreover, the power density in the smaller reactor was found to be nearly double compared to the larger one. The SCL analysis showed multiple cavitationally active zones in all setups, and the zones intensity decreased considerably with increase of the solutions viscosity. The results for the cone tip were not conclusive, but can be used as the basis for further investigation. The current research highlights the importance of thoroughly understanding the impact of each design parameter, and of establishing characterization methodologies to assist in the future development of scaled-up, commercial applications.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 001218630800001 Publication Date 2024-02-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0255-2701 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 4.3 Times cited Open Access  
  Notes Approved Most recent IF: 4.3; 2024 IF: 2.234  
  Call Number UA @ admin @ c:irua:206003 Serial 9154  
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Author Xu, H.; Li, H.; Gauquelin, N.; Chen, X.; Wu, W.-F.; Zhao, Y.; Si, L.; Tian, D.; Li, L.; Gan, Y.; Qi, S.; Li, M.; Hu, F.; Sun, J.; Jannis, D.; Yu, P.; Chen, G.; Zhong, Z.; Radovic, M.; Verbeeck, J.; Chen, Y.; Shen, B. pdf  url
doi  openurl
  Title Giant tunability of Rashba splitting at cation-exchanged polar oxide interfaces by selective orbital hybridization Type A1 Journal article
  Year 2024 Publication Advanced materials Abbreviated Journal  
  Volume Issue Pages  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The 2D electron gas (2DEG) at oxide interfaces exhibits extraordinary properties, such as 2D superconductivity and ferromagnetism, coupled to strongly correlated electrons in narrow d-bands. In particular, 2DEGs in KTaO3 (KTO) with 5d t2g orbitals exhibit larger atomic spin-orbit coupling and crystal-facet-dependent superconductivity absent for 3d 2DEGs in SrTiO3 (STO). Herein, by tracing the interfacial chemistry, weak anti-localization magneto-transport behavior, and electronic structures of (001), (110), and (111) KTO 2DEGs, unambiguously cation exchange across KTO interfaces is discovered. Therefore, the origin of the 2DEGs at KTO-based interfaces is dramatically different from the electronic reconstruction observed at STO interfaces. More importantly, as the interface polarization grows with the higher order planes in the KTO case, the Rashba spin splitting becomes maximal for the superconducting (111) interfaces approximately twice that of the (001) interface. The larger Rashba spin splitting couples strongly to the asymmetric chiral texture of the orbital angular moment, and results mainly from the enhanced inter-orbital hopping of the t2g bands and more localized wave functions. This finding has profound implications for the search for topological superconductors, as well as the realization of efficient spin-charge interconversion for low-power spin-orbitronics based on (110) and (111) KTO interfaces. An unambiguous cation exchange is discovered across the interfaces of (001), (110), and (111) KTaO3 2D electron gases fabricated at room temperature. Remarkably, the (111) interfaces with the highest superconducting transition temperature also turn out to show the strongest electron-phonon interaction and the largest Rashba spin splitting. image  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 001219658400001 Publication Date 2024-03-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0935-9648 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 29.4 Times cited Open Access  
  Notes Approved Most recent IF: 29.4; 2024 IF: 19.791  
  Call Number UA @ admin @ c:irua:206037 Serial 9152  
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Author Gao, Y.-J.; Jin, H.; Esteban, D.A.; Weng, B.; Saha, R.A.; Yang, M.-Q.; Bals, S.; Steele, J.A.; Huang, H.; Roeffaers, M.B.J. url  doi
openurl 
  Title 3D-cavity-confined CsPbBr₃ quantum dots for visible-light-driven photocatalytic C(sp³)-H bond activation Type A1 Journal article
  Year 2024 Publication Carbon Energy Abbreviated Journal  
  Volume Issue Pages e559  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Metal halide perovskite (MHP) quantum dots (QDs) offer immense potential for several areas of photonics research due to their easy and low-cost fabrication and excellent optoelectronic properties. However, practical applications of MHP QDs are limited by their poor stability and, in particular, their tendency to aggregate. Here, we develop a two-step double-solvent strategy to grow and confine CsPbBr3 QDs within the three-dimensional (3D) cavities of a mesoporous SBA-16 silica scaffold (CsPbBr3@SBA-16). Strong confinement and separation of the MHP QDs lead to a relatively uniform size distribution, narrow luminescence, and good ambient stability over 2 months. In addition, the CsPbBr3@SBA-16 presents a high activity and stability for visible-light-driven photocatalytic toluene C(sp(3))-H bond activation to produce benzaldehyde with similar to 730 mu mol g(-1) h(-1) yield rate and near-unity selectivity. Similarly, the structural stability of CsPbBr3@SBA-16 QDs is superior to that of both pure CsPbBr3 QDs and those confined in MCM-41 with 1D channels.  
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  Language Wos (up) 001223583600001 Publication Date 2024-05-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2637-9368 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:206000 Serial 9133  
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Author Zhou, R.; Neek-Amal, M.; Peeters, F.M.; Bai, B.; Sun, C. pdf  url
doi  openurl
  Title Interlink between Abnormal Water Imbibition in Hydrophilic and Rapid Flow in Hydrophobic Nanochannels Type A1 Journal Article
  Year 2024 Publication Physical Review Letters Abbreviated Journal Phys. Rev. Lett.  
  Volume 132 Issue 18 Pages 184001  
  Keywords A1 Journal Article; CMT  
  Abstract Nanoscale extension and refinement of the Lucas-Washburn model is presented with a detailed analysis of recent experimental data and extensive molecular dynamics simulations to investigate rapid water flow and water imbibition within nanocapillaries. Through a comparative analysis of capillary rise in hydrophilic nanochannels, an unexpected reversal of the anticipated trend, with an abnormal peak, of imbibition length below the size of 3 nm was discovered in hydrophilic nanochannels, surprisingly sharing the same physical origin as the well-known peak observed in flow rate within hydrophobic nanochannels. The extended imbibition model is applicable across diverse spatiotemporal scales and validated against simulation results and existing experimental data for both hydrophilic and hydrophobic  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 001224703200013 Publication Date 2024-04-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9007 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.6 Times cited 1 Open Access  
  Notes We gratefully acknowledge the financial support pro- vided by the National Natural Science Foundation of China (Projects No. 52488201 and No. 52222606). Part of this project was supported by the Flemish Science Foundations (FWO-Vl) and the Iranian National Science Foundation (No. 4025061 and No. 4021261). Approved Most recent IF: 8.6; 2024 IF: 8.462  
  Call Number UA @ lucian @c:irua:206319 Serial 9122  
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Author Brognara, A.; Kashiwar, A.; Jung, C.; Zhang, X.; Ahmadian, A.; Gauquelin, N.; Verbeeck, J.; Djemia, P.; Faurie, D.; Dehm, G.; Idrissi, H.; Best, J.P.; Ghidelli, M. url  doi
openurl 
  Title Tailoring mechanical properties and shear band propagation in ZrCu metallic glass nanolaminates through chemical heterogeneities and interface density Type A1 Journal article
  Year 2024 Publication Small Structures Abbreviated Journal  
  Volume Issue Pages 2400011-11  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The design of high‐performance structural thin films consistently seeks to achieve a delicate equilibrium by balancing outstanding mechanical properties like yield strength, ductility, and substrate adhesion, which are often mutually exclusive. Metallic glasses (MGs) with their amorphous structure have superior strength, but usually poor ductility with catastrophic failure induced by shear bands (SBs) formation. Herein, we introduce an innovative approach by synthesizing MGs characterized by large and tunable mechanical properties, pioneering a nanoengineering design based on the control of nanoscale chemical/structural heterogeneities. This is realized through a simplified model Zr 24 Cu 76 /Zr 61 Cu 39 , fully amorphous nanocomposite with controlled nanoscale periodicity ( Λ , from 400 down to 5 nm), local chemistry, and glass–glass interfaces, while focusing in‐depth on the SB nucleation/propagation processes. The nanolaminates enable a fine control of the mechanical properties, and an onset of crack formation/percolation (>1.9 and 3.3%, respectively) far above the monolithic counterparts. Moreover, we show that SB propagation induces large chemical intermixing, enabling a brittle‐to‐ductile transition when Λ  ≤ 50 nm, reaching remarkably large plastic deformation of 16% in compression and yield strength ≈2 GPa. Overall, the nanoengineered control of local heterogeneities leads to ultimate and tunable mechanical properties opening up a new approach for strong and ductile materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 001226546100001 Publication Date 2024-05-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2688-4062 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:205798 Serial 9176  
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Author Vlasov, E.; Heyvaert, W.; Ni, B.; Van Gordon, K.; Girod, R.; Verbeeck, J.; Liz-Marzán, L.M.; Bals, S. pdf  url
doi  openurl
  Title High-Throughput Morphological Chirality Quantification of Twisted and Wrinkled Gold Nanorods Type A1 Journal Article
  Year 2024 Publication ACS Nano Abbreviated Journal ACS Nano  
  Volume Issue Pages  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract Chirality in gold nanostructures offers an exciting opportunity to tune their differential optical response to left- and right-handed circularly polarized light, as well as their interactions with biomolecules and living matter. However, tuning and understanding such interactions demands quantification of the structural features that are responsible for the chiral behavior. Electron tomography (ET) enables structural characterization at the single-particle level and has been used to quantify the helicity of complex chiral nanorods. However, the technique is time-consuming and consequently lacks statistical value. To address this issue, we introduce herein a high-throughput methodology that combines images acquired by secondary electron-based electron beam-induced current (SEEBIC) with quantitative image analysis. As a result, the geometric chirality of hundreds of nanoparticles can be quantified in less than 1 h. When combining the drastic gain in data collection efficiency of SEEBIC with a limited number of ET data sets, a better understanding of how the chiral structure of individual chiral nanoparticles translates into the ensemble chiroptical response can be reached.  
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  Language Wos (up) 001227683500001 Publication Date 2024-04-26  
  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 Open Access  
  Notes The authors acknowledge financial support by the European Research Council (ERC CoG No. 815128 REALNANO to S.B.) and from MCIN/AEI/10.13039/501100011033 (Grant PID2020-117779RB-I00 to L.M.L.-M and FPI Fellowship PRE2021-097588 to K.V.G.). Funded by the European Union under Project 101131111 − DELIGHT, JV acknowledges the eBEAM project supported by the European Union’s Horizon 2020 research and innovation program FETPROACT-EIC-07- 2020: emerging paradigms and communities. Approved Most recent IF: 17.1; 2024 IF: 13.942  
  Call Number EMAT @ emat @c:irua:206329 Serial 9121  
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Author Faraji, F.; Neyts, E.C.; Milošević, M.V.; Peeters, F.M. pdf  doi
openurl 
  Title Capillary Condensation of Water in Graphene Nanocapillaries Type A1 Journal Article
  Year 2024 Publication Nano Letters Abbreviated Journal Nano Lett.  
  Volume 24 Issue 18 Pages 5625-5630  
  Keywords A1 Journal Article; CMT  
  Abstract Recent experiments have revealed that the macroscopic Kelvin equation remains surprisingly accurate even for nanoscale capillaries. This phenomenon was so far explained by the oscillatory behavior of the solid−liquid interfacial free energy. We here demonstrate thermodynamic and capillarity inconsistencies with this explanation. After revising the Kelvin equation, we ascribe its validity at nanoscale confinement to the effect of disjoining pressure.

To substantiate our hypothesis, we employed molecular dynamics simulations to evaluate interfacial heat transfer and wetting properties. Our assessments unveil a breakdown in a previously established proportionality between the work of adhesion and the Kapitza conductance at capillary heights below 1.3 nm, where the dominance of the work of adhesion shifts primarily from energy to entropy. Alternatively, the peak density of the initial water layer can effectively probe the work of adhesion. Unlike under bulk conditions, high confinement renders the work of adhesion entropically unfavorable.
 
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  Language Wos (up) 001227815000001 Publication Date 2024-05-08  
  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  
  Notes This work was supported by Research Foundation-Flanders (FWO, project No. G099219N). The computational resources used in this work were provided by the HPC core facility CalcUA of the University of Antwerp, and the Flemish Supercomputer Center (VSC), funded by FWO and the Flemish Government. Approved Most recent IF: 10.8; 2024 IF: 12.712  
  Call Number UA @ lucian @c:irua:206331 Serial 9123  
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Author Guerrero, R.M.; Lemir, I.D.; Carrasco, S.; Fernández-Ruiz, C.; Kavak, S.; Pizarro, P.; Serrano, D.P.; Bals, S.; Horcajada, P.; Pérez, Y. url  doi
openurl 
  Title Scaling-Up Microwave-Assisted Synthesis of Highly Defective Pd@UiO-66-NH2Catalysts for Selective Olefin Hydrogenation under Ambient Conditions Type A1 Journal Article
  Year 2024 Publication ACS Applied Materials & Interfaces Abbreviated Journal ACS Appl. Mater. Interfaces  
  Volume Issue Pages  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract The need to develop green and cost-effective industrial catalytic processes has led to growing interest in preparing more robust, efficient, and selective heterogeneous catalysts at a large scale. In this regard, microwave-assisted synthesis is a fast method for fabricating heterogeneous catalysts (including metal oxides, zeolites, metal–organic frameworks, and supported metal nanoparticles) with enhanced catalytic properties, enabling synthesis scale-up. Herein, the synthesis of nanosized UiO-66-NH2 was optimized via a microwave-assisted hydrothermal method to obtain defective matrices essential for the stabilization of metal nanoparticles, promoting catalytically active sites for hydrogenation reactions (760 kg·m–3·day–1 space time yield, STY). Then, this protocol was scaled up in a multimodal microwave reactor, reaching 86% yield (ca. 1 g, 1450 kg·m–3·day–1 STY) in only 30 min. Afterward, Pd nanoparticles were formed in situ decorating the nanoMOF by an effective and fast microwave-assisted hydrothermal method, resulting in the formation of Pd@UiO-66-NH2 composites. Both the localization and oxidation states of Pd nanoparticles (NPs) in the MOF were achieved using high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) and X-ray photoelectron spectroscopy (XPS), respectively. The optimal composite, loaded with 1.7 wt % Pd, exhibited an extraordinary catalytic activity (>95% yield, 100% selectivity) under mild conditions (1 bar H2, 25 °C, 1 h reaction time), not only in the selective hydrogenation of a variety of single alkenes (1-hexene, 1-octene, 1-tridecene, cyclohexene, and tetraphenyl ethylene) but also in the conversion of a complex mixture of alkenes (i.e., 1-hexene, 1-tridecene, and anethole). The results showed a powerful interaction and synergy between the active phase (Pd NPs) and the catalytic porous scaffold (UiO-66-NH2), which are essential for the selectivity and recyclability.  
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  Language Wos (up) 001227929100001 Publication Date 2024-04-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1944-8244 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.5 Times cited Open Access  
  Notes The authors gratefully acknowledge financial support from “Comunidad de Madrid” and European Regional Development Fund-FEDER through the project HUB MADRID+CIRCULAR; the State Research Agency (MCIN/AEI /10.13039/501100011033) through the grant with reference number CEX2019-000931-M received in the 2019 call for “Severo Ochoa Centres of Excellence” and “María de Maeztu Units of Excellence” of the State Programme for Knowledge Generation and Scientific and Technological Strengthening of the R&D&I System; and MICIU through the project “NAPOLION” (PID2022-139956OB-I00). S.K. acknowledges the Flemish Fund for Scientific Research (FWO Vlaanderen) through a PhD research grant (1181124N). Approved Most recent IF: 9.5; 2024 IF: 7.504  
  Call Number EMAT @ emat @c:irua:206322 Serial 9126  
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Author Van Gordon, K.; Ni, B.; Girod, R.; Mychinko, M.; Bevilacqua, F.; Bals, S.; Liz‐Marzán, L.M. pdf  url
doi  openurl
  Title Single Crystal and Pentatwinned Gold Nanorods Result in Chiral Nanocrystals with Reverse Handedness Type A1 Journal Article
  Year 2024 Publication Angewandte Chemie International Edition Abbreviated Journal Angew Chem Int Ed  
  Volume Issue Pages  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract Handedness is an essential attribute of chiral nanocrystals, having a major influence on their properties. During chemical growth, the handedness of nanocrystals is usually tuned by selecting the corresponding enantiomer of chiral molecules involved in asymmetric growth, often known as chiral inducers. We report that, even using the same chiral inducer enantiomer, the handedness of chiral gold nanocrystals can be reversed by using Au nanorod seeds with either single crystalline or pentatwinned structure. This effect holds for chiral growth induced both by amino acids and by chiral micelles. Although it was challenging to discern the morphological handedness for<italic>L</italic>‐cystine‐directed particles, even using electron tomography, both cases showed circular dichroism bands of opposite sign, with nearly mirrored chiroptical signatures for chiral micelle‐directed growth, along with quasi‐helical wrinkles of inverted handedness. These results expand the chiral growth toolbox with an effect that might be exploited to yield a host of interesting morphologies with tunable optical properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 001230287700001 Publication Date 2024-05-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1433-7851 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 16.6 Times cited Open Access  
  Notes Ana Sánchez-Iglesias is acknowledged for support in the synthesis of pentatwinned gold nanorods. The authors acknowledge financial support by the European Research Council (ERC CoG No. 815128 REALNANO to S.B.), from MCIN/AEI/10.13039/501100011033 (Grant PID2020- 117779RB-I00 to L.M.L.-M and FPI Fellowship PRE2021- 097588 to K.V.G.), and by KU Leuven (C14/22/085). This work has been funded by the European Union under Project 101131111—DELIGHT. Funding for open access charge: Universidade de Vigo/ CRUE-CISUG. Approved Most recent IF: 16.6; 2024 IF: 11.994  
  Call Number EMAT @ emat @c:irua:206328 Serial 9129  
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Author Nazar, N.D.; Peeters, F.M.; Costa Filho, R.N.; Vazifehshenas, T. doi  openurl
  Title 8-pmmn borophene : edge states in competition with Landau levels and local vacancy states Type A1 Journal article
  Year 2024 Publication Physical chemistry, chemical physics Abbreviated Journal  
  Volume 26 Issue 22 Pages 16153-16159  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The tight-binding method is used to investigate the electronic and magnetic properties of borophene nano-ribbons (BNRs) in the presence of a perpendicular magnetic field. Most BNRs exhibit metallic characteristics due to edge bands. Additionally, the appearance of Landau levels (LLs) is strongly influenced by the edge states, contrasting with the sheet platform which produces distinct LLs. We also investigated single atomic vacancy disorders in BNRs and observed localized vacancy states (LVSs) resulting from atomic disorder. Both LVSs and LLs are influenced by the edge states, underscoring that the electronic and magnetic properties of BNRs are strongly edge-dependent. This aspect is crucial for consideration in experimental, theoretical, and computational studies.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 001230536600001 Publication Date 2024-05-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.3 Times cited Open Access  
  Notes Approved Most recent IF: 3.3; 2024 IF: 4.123  
  Call Number UA @ admin @ c:irua:206599 Serial 9274  
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Author Li, Y.; Xiao, Y.M.; Xu, W.; Ding, L.; Milošević, M.V.; Peeters, F.M. url  doi
openurl 
  Title Magneto-optical conductivity of monolayer transition metal dichalcogenides in the presence of proximity-induced exchange interaction and external electrical field Type A1 Journal article
  Year 2024 Publication Physical review B Abbreviated Journal  
  Volume 109 Issue 16 Pages 165441-14  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We theoretically investigate the magneto-optical (MO) properties of monolayer (ML) transition metal dichalcogenides (TMDs) in the presence of external electrical and quantizing magnetic fields and of the proximity-induced exchange interaction. The corresponding Landau Level (LL) structure is studied by solving the Schr & ouml;dinger equation and the spin polarization in ML-TMDs under the action of the magnetic field is evaluated. The impact of trigonal warping on LLs and MO absorption is examined. Furthermore, the longitudinal MO conductivity is calculated through the dynamical dielectric function under the standard random-phase approximation (RPA) with the Kubo formula. We take ML-MoS 2 as an example to examine the effects of proximity-induced exchange interaction, external electrical and magnetic fields on the MO conductivity induced via intra- and interband electronic transitions among the LLs. For intraband electronic transitions within the conduction or valence bands, we can observe two absorption peaks in terahertz (THz) frequency range. While the interband electronic transitions between conduction and valence LLs show a series of absorption peaks in the visible range. We find that the proximity-induced exchange interaction, the carrier density, the strengths of the external electrical and magnetic fields can effectively modulate the positions of the absorption peaks and the shapes of the MO absorption spectra. The results obtained from this study can benefit to an in-depth understanding of the MO properties of ML-TMDs which can be potentially applied for magneto-optic, spintronic, and valleytronic devices working in visible to THz frequency bandwidths.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 001231884200004 Publication Date 2024-04-26  
  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  
  Notes Approved Most recent IF: 3.7; 2024 IF: 3.836  
  Call Number UA @ admin @ c:irua:206589 Serial 9305  
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Author Kocabas, T.; Samanta, B.; Barboza, E. da S.; Sevik, C.; Milošević, M.V.; Çakir, D. doi  openurl
  Title Electron-phonon coupling and thermal conductivity of MAB compounds Type A1 Journal article
  Year 2024 Publication Physical review materials Abbreviated Journal  
  Volume 8 Issue 5 Pages 055002-55011  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigated the electron-phonon ( e -ph ) coupling and vibrational thermal conductivity in the representative MAB compounds, namely MoAlB, WAlB, Tc 2 AlB 2 , and Cr 2 AlB 2 . The spectral distribution functions of e -ph interaction, obtained through ab initio linear-response calculations, reveal that the electron-phonon coupling values range from low (0.15) to moderate (0.58). With such e -ph coupling, out of the considered compounds, only Tc 2 AlB 2 exhibits a superconducting transition, at 4 K. We further evaluated the thermal conductivity and associated properties like scattering rates, obtained using ab initio and other methodologies. The latter included the iterative solution of the Peierls-Boltzmann transport equation, using HIPHIVE package for advanced optimization and machine learning techniques, and employing maximum likelihood estimation to approximate scattering rates from a limited set of scattering processes. We found that these methods yield nearly identical predictions for thermal conductivity values, with a significant decrease in the computational cost compared to the first-principles methods. We examined interactions arising from both three-phonon (3 ph ) and four -phonon (4 ph ) scattering processes. The 4 ph interactions demonstrated a smaller yet significant impact on the overall vibrational thermal conductivity, most notably in Tc 2 AlB 2 . Our findings indicate that Cr 2 AlB 2 has the highest thermal conductivity across all considered crystal directions, with the thermal conductivity being spatially anisotropic, most pronouncedly in Tc 2 AlB 2 . Finally, we show that empirical expressions based on Slack models are well suited for screening the thermal conductivity properties of MAB phases, and can be employed to establish upper and lower limits of their thermal conductivity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 001231927600005 Publication Date 2024-05-21  
  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  
  Notes Approved Most recent IF: 3.4; 2024 IF: NA  
  Call Number UA @ admin @ c:irua:206590 Serial 9286  
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Author Li, Q.N.; Vasilopoulos, P.; Peeters, F.M.; Xu, W.; Xiao, Y.M.; Milošević, M.V. url  doi
openurl 
  Title Collective excitations in three-dimensional Dirac systems Type A1 Journal article
  Year 2024 Publication Physical review B Abbreviated Journal  
  Volume 109 Issue 11 Pages 115123-115129  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We provide the plasmon spectrum and related properties of the three-dimensional (3D) Dirac semimetals Na 3 Bi and Cd 3 As 2 based on the random -phase approximation. The necessary one -electron eigenvalues and eigenfunctions are obtained from an effective k <middle dot> p Hamiltonian. Below the energy at which the velocity v z along the k z axis vanishes, the density of states differs drastically from that of a 3D electron gas (3DEG) or graphene. The dispersion relation is anisotropic for wave vectors parallel ( q ) and perpendicular ( q z ) to the ( x , y ) plane and is markedly different than that of graphene or a 3DEG. The same holds for the energy -loss function. Both depend sensitively on the position of the Fermi energy E F relative to the region of the Berry curvature of the bands. For E F below the energy at which v z vanishes, the range of the relevant wave vectors q and q z shrinks, for q z by about one order of magnitude.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 001235353700005 Publication Date 2024-03-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.7 Times cited Open Access  
  Notes Approved Most recent IF: 3.7; 2024 IF: 3.836  
  Call Number UA @ admin @ c:irua:206669 Serial 9278  
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Author Liu, J.; Xu, W.; Xiao, Y.M.; Ding, L.; Li, H.W.; Van Duppen, B.; Milošević, M.V.; Peeters, F.M. url  doi
openurl 
  Title Longitudinal and transverse mobilities of n-type monolayer transition metal dichalcogenides in the presence of proximity-induced interactions at low temperature Type A1 Journal article
  Year 2024 Publication Physical review B Abbreviated Journal  
  Volume 109 Issue 19 Pages 195418-14  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We present a detailed theoretical investigation on the electronic transport properties of n-type monolayer (ML) transition metal dichalcogenides (TMDs) at low temperature in the presence of proximity-induced interactions such as Rashba spin-orbit coupling (RSOC) and the exchange interaction. The electronic band structure is calculated by solving the Schr & ouml;dinger equation with a k <middle dot> p Hamiltonian, and the electric screening induced by electron-electron interaction is evaluated under a standard random phase approximation approach. In particular, the longitudinal and transverse or Hall mobilities are calculated by using a momentum-balance equation derived from a semiclassical Boltzmann equation, where the electron-impurity interaction is considered as the principal scattering center at low temperature. The obtained results show that the RSOC can induce the in-plane spin components for spin-split subbands in different valleys, while the exchange interaction can lift the energy degeneracy for electrons in different valleys. The opposite signs of Berry curvatures in the two valleys would introduce opposite directions of Lorentz force on valley electrons. As a result, the transverse currents from nondegenerate valleys can no longer be canceled out so that the transverse current or Hall mobility can be observed. Interestingly, we find that at a fixed effective Zeeman field, the lowest spin-split conduction subband in ML-TMDs can be tuned from one in the K'-valley to one in the K-valley by varying the Rashba parameter. The occupation of electrons in different valleys also varies with changing carrier density. Therefore, we can change the magnitude and direction of the Hall current by varying the Rashba parameter, effective Zeeman field, and carrier density by, e.g., the presence of a ferromagnetic substrate and/or applying a gate voltage. By taking the ML-MoS2 as an example, these effects are demonstrated and examined. The important and interesting theoretical findings can be beneficial to experimental observation of the valleytronic effect and to gaining an in-depth understanding of the ML-TMD systems in the presence of proximity-induced interactions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 001237245700001 Publication Date 2024-05-08  
  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  
  Impact Factor 3.7 Times cited Open Access  
  Notes Approved Most recent IF: 3.7; 2024 IF: 3.836  
  Call Number UA @ admin @ c:irua:206596 Serial 9302  
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Author Folkers, B.; Jansen, T.; Roskamp, T.J.; Reith, P.; Timmermans, A.; Jannis, D.; Gauquelin, N.; Verbeeck, J.; Hilgenkamp, H.; Rosario, C.M.M. doi  openurl
  Title Imaging the suppression of ferromagnetism in LaMnO₃ by metallic overlayers Type A1 Journal article
  Year 2024 Publication Physical review materials Abbreviated Journal  
  Volume 8 Issue 5 Pages 054408-6  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract LaMnO 3 (LMO) thin films epitaxially grown on SrTiO 3 (STO) usually exhibit ferromagnetism above a critical layer thickness. We report the use of scanning SQUID microscopy (SSM) to study the suppression of the ferromagnetism in STO / LMO / metal structures. By partially covering the LMO surface with a metallic layer, both covered and uncovered LMO regions can be studied simultaneously. While Au does not significantly influence the ferromagnetic order of the underlying LMO film, a thin Ti layer induces a strong suppression of the ferromagnetism, over tens of nanometers, which increases with time on a timescale of days. Detailed electron energy loss spectroscopy analysis of the Ti-LaMnO 3 interface reveals the presence of Mn 2 + and an evolution of the Ti valence state from Ti 0 to Ti 4 + over approximately 5 nm. Furthermore, we demonstrate that by patterning Ti / Au overlayers, we can locally suppress the ferromagnetism and define ferromagnetic structures down to sub -micrometer scales.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 001239765800005 Publication Date 2024-05-13  
  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  
  Notes Approved Most recent IF: 3.4; 2024 IF: NA  
  Call Number UA @ admin @ c:irua:206555 Serial 9297  
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Author Song, Y.; Chen, M.; Xie, X.; Liu, X.; Li, J.; Peeters, F.M.; Li, L. pdf  doi
openurl 
  Title Hydrogenation-controlled band engineering of dumbbell graphene Type A1 Journal article
  Year 2024 Publication Nano energy Abbreviated Journal  
  Volume 127 Issue Pages 109763-15  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The stability of the dumbbell structure has been confirmed by previous theory and experiment. Based on firstprinciples calculations, we proposed hexagonal dumbbell graphene (HDB C10) and rectangular dumbbell graphene (RDB C10) monolayers containing periodically raised C (CR) atoms. They turn out to have high mobility semiconductor properties. By adsorbing H atoms on these CR atoms, their band structures can be widely tuned from semiconductor to semimetal. When considering adsorption of two/four H atoms on the unit cell of the dumbbell structure, the bandgap can be increased, and isolated flat band structures can be obtained by further adding or removing H atoms. Remarkably, two different Dirac band structures can be found in the HDB/RDB C10H2-I monolayers. The HDB C10H2-I shows a Dirac cone with isotropic Fermi velocities, while the RDB C10H2-I monolayer exhibits a quasi-one-dimensional Dirac nodal line with varying Fermi velocities along the XS path. Tight-binding (TB) models are constructed including nearest neighbor (NN) and next NN hopping in order to understand our DFT results. These TB models are related to the Su-Schrieffer-Heeger model, and are able to explain the tunable topological properties of the RDB C10H2-I monolayer. They not only are able to explain the different kinds of Fermi velocity, but also can predict the emergence of topological edge states, providing a good platform for research on Dirac fermions. The HDB/RDB C10 monolayer exhibits more freedom of tunable band structures and more stable hydrogen storage capacity, making it superior to graphene. Finally, possible experimental synthesis paths of these DB monolayers are provided.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 001244362400001 Publication Date 2024-05-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2211-2855 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 17.6 Times cited Open Access  
  Notes Approved Most recent IF: 17.6; 2024 IF: 12.343  
  Call Number UA @ admin @ c:irua:206621 Serial 9296  
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Author Mazurkow, J.M.; Montiel, F.N.; Van Echelpoel, R.; Kusior, A.; De Wael, K. pdf  doi
openurl 
  Title The potential of electrochemical sensors to unveil counterfeits : Xanax as a case study Type A1 Journal article
  Year 2024 Publication Electrochimica acta Abbreviated Journal  
  Volume 494 Issue Pages 144458-8  
  Keywords A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab); Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS)  
  Abstract The illicit drug market has been constantly evolving in the last decades, with a significant rise in counterfeit medicines posing serious public health risks. Benzodiazepines (BZDs) such as alprazolam (generally sold under the brand name Xanax), have particularly become the target of counterfeiting efforts due to their addictive nature and upsurge of unregulated designer BZDs. These counterfeit versions frequently resemble legitimate products but contain harmful adulterants or other potent illicit substances. Few methods have been developed to tackle counterfeit pills, usually limited to accurate and sophisticated laboratory equipment. This study explores the feasibility of combining electrochemical fingerprinting with data analysis to overcome the limitations of traditional methods. First, the electrochemical behavior of selected BZDs is studied, and analytical parameters such as pH are optimized. Then, the electroanalysis of common adulterants and illicit drugs is addressed and integrated into a user-friendly app, including a flowchart system. The proposed electrochemical strategy enables the detection of counterfeit Xanax by identifying the presence or absence of alprazolam. It also allows determination of the alprazolam content within a pill while meeting the fundamental requirements of the end users. This study represents an on-site methodology to address the growing challenges posed by BZDs, easily transferable to counterfeit medicines from other drug groups.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 001244860300001 Publication Date 2024-05-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0013-4686 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 6.6 Times cited Open Access  
  Notes Approved Most recent IF: 6.6; 2024 IF: 4.798  
  Call Number UA @ admin @ c:irua:206519 Serial 9321  
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Author Chen, X.; Dong, X.; Zhang, C.; Zhu, M.; Ahmed, E.; Krishnamurthy, G.; Rouzbahani, R.; Pobedinskas, P.; Gauquelin, N.; Jannis, D.; Kaur, K.; Hafez, A.M.E.; Thiel, F.; Bornemann, R.; Engelhard, C.; Schoenherr, H.; Verbeeck, J.; Haenen, K.; Jiang, X.; Yang, N. url  doi
openurl 
  Title Interlayer affected diamond electrochemistry Type A1 Journal article
  Year 2024 Publication Small methods Abbreviated Journal  
  Volume Issue Pages 2301774  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Diamond electrochemistry is primarily influenced by quantities of sp3-carbon, surface terminations, and crystalline structure. In this work, a new dimension is introduced by investigating the effect of using substrate-interlayers for diamond growth. Boron and nitrogen co-doped nanocrystalline diamond (BNDD) films are grown on Si substrate without and with Ti and Ta as interlayers, named BNDD/Si, BNDD/Ti/Si, and BNDD/Ta/Ti/Si, respectively. After detailed characterization using microscopies, spectroscopies, electrochemical techniques, and density functional theory simulations, the relationship of composition, interfacial structure, charge transport, and electrochemical properties of the interface between diamond and metal is investigated. The BNDD/Ta/Ti/Si electrodes exhibit faster electron transfer processes than the other two diamond electrodes. The interlayer thus determines the intrinsic activity and reaction kinetics. The reduction in their barrier widths can be attributed to the formation of TaC, which facilitates carrier tunneling, and simultaneously increases the concentration of electrically active defects. As a case study, the BNDD/Ta/Ti/Si electrode is further employed to assemble a redox-electrolyte-based supercapacitor device with enhanced performance. In summary, the study not only sheds light on the intricate relationship between interlayer composition, charge transfer, and electrochemical performance but also demonstrates the potential of tailored interlayer design to unlock new capabilities in diamond-based electrochemical devices. Diamond electrochemistry is revealed to be affected by the interlayers between boron/nitrogen co-doped nanocrystalline diamond (BNDD) film and a Si substrate. A BNDD/Ta/Ti/Si electrode exhibits faster electron transfer processes and smaller electron transfer resistance of redox probes for [Fe(CN)6]3-/4- and [Ru(NH3)6]3+/2+ than the other electrodes, because the interlayer thus determines the intrinsic activity and reaction kinetics of diamond films. image  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 001247280600001 Publication Date 2024-06-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2366-9608 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 12.4 Times cited Open Access  
  Notes Approved Most recent IF: 12.4; 2024 IF: NA  
  Call Number UA @ admin @ c:irua:206567 Serial 9298  
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Author Gonzalez-Garcia, A.; Bacaksiz, C.; Frauenheim, T.; Milošević, M.V. url  doi
openurl 
  Title Strong spin-lattice coupling and high-temperature magnetic ordering in monolayer chromium dichalcogenides Type A1 Journal article
  Year 2024 Publication Physical review materials Abbreviated Journal  
  Volume 8 Issue 6 Pages 064001-64009  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We detail the magnetic properties of monolayer CrX2 and its Janus counterparts CrXY (X, Y = S, Se, Te, with X not equal Y) using ab initio methods and Landau-Lifshitz-Gilbert magnetization dynamics, and uncover the pronouncedly strong interplay between their structure symmetry and the magnetic order. The relaxation of nonmagnetic chalcogen atoms, that carry large spin-orbit coupling, changes the energetically preferential magnetic order between in-plane antiferromagnetic and tilted ferromagnetic one. The considered Janus monolayers exhibit sizable Dzyaloshinskii-Moriya interaction, in some cases above 20% of the isotropic exchange, and critical temperature of the long-range magnetic order in the vicinity or even significantly above the room temperature.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 001247462600001 Publication Date 2024-06-13  
  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  
  Notes Approved Most recent IF: 3.4; 2024 IF: NA  
  Call Number UA @ admin @ c:irua:206660 Serial 9317  
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Author Thomen, D.M.N.; Sevik, C.; Milošević, M.V.; Teles, L.K.; Chaves, A. url  doi
openurl 
  Title Strain and stacking registry effects on the hyperbolicity of exciton polaritons in few-layer black phosphorus Type A1 Journal article
  Year 2024 Publication Physical review B Abbreviated Journal  
  Volume 109 Issue 24 Pages 245413-245419  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We analyze, from first -principles calculations, the excitonic properties of monolayer black phosphorus (BP) under strain, as well as of bilayer BP with different stacking registries, as a base platform for the observation and use of hyperbolic polaritons. In the unstrained case, our results confirm the in -plane hyperbolic behavior of polaritons coupled to the ground -state excitons in both mono- and bilayer systems, as observed in recent experiments. With strain, we reveal that the exciton-polariton hyperbolicity in monolayer BP is enhanced (reduced) by compressive (tensile) strain in the zig-zag direction of the crystal. In the bilayer case, different stacking registries are shown to exhibit hyperbolic exciton polaritons with different dispersion, while also peaking at different frequencies. This renders both mechanical stress and stacking registry control as practical tools for tuning physical properties of hyperbolic exciton polaritons in black phosphorus, which facilitates detection and further optoelectronic use of these quasiparticles.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 001247621000008 Publication Date 2024-06-10  
  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  
  Impact Factor 3.7 Times cited Open Access  
  Notes Approved Most recent IF: 3.7; 2024 IF: 3.836  
  Call Number UA @ admin @ c:irua:206631 Serial 9316  
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Author Ding, Y.; Wang, C.; Bandaru, S.; Pei, L.; Zheng, R.; Hau Ng, Y.; Arenas Esteban, D.; Bals, S.; Zhong, J.; Hofkens, J.; Van Tendeloo, G.; Roeffaers, M.B.J.; Chen, L.-H.; Su, B.-L. pdf  url
doi  openurl
  Title Cs3Bi2Br9 nanoparticles decorated C3N4 nanotubes composite photocatalyst for highly selective oxidation of benzylic alcohol Type A1 Journal Article
  Year 2024 Publication Journal of Colloid and Interface Science Abbreviated Journal Journal of Colloid and Interface Science  
  Volume 672 Issue Pages 600-609  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract Solar-light driven oxidation of benzylic alcohols over photocatalysts endows significant prospects in value-added organics evolution owing to its facile, inexpensive and sustainable process. However, the unsatisfactory performance of actual photocatalysts due to the inefficient charge separation, low photoredox potential and sluggish surface reaction impedes the practical application of this process. Herein, we developed an innovative Z-Scheme Cs3BiBr9 nanoparticles@porous C3N4 tubes (CBB-NP@P-tube-CN) heterojunction photocatalyst for highly selective benzyl alcohol oxidation. Such composite combining increased photo-oxidation potential, Z-Scheme charge migration route as well as the structural advantages of porous tubular C3N4 ensures the accelerated mass and ions diffusion kinetics, the fast photoinduced carriers dissociation and sufficient photoredox potentials. The CBB-NP@P-tube-CN photocatalyst demonstrates an exceptional performance for selective photo-oxidation of benzylic alcohol into benzaldehyde with 19, 14 and 3 times higher benzylic alcohols conversion rate than those of C3N4 nanotubes, Cs3Bi2Br9 and Cs3Bi2Br9@bulk C3N4 photocatalysts, respectively. This work offers a sustainable photocatalytic system based on lead-free halide perovskite toward large scale solar-light driven value-added chemicals production.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 001251644100001 Publication Date 2024-06-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9797 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.9 Times cited Open Access  
  Notes This work is financially supported by the Zhejiang Provincial Natural Science Foundation of China (No. LQ24E020011), and National Natural Science Foundation of China (No. 12374372, 52072101)., Program for Changjiang Scholars and Innovative Research Team in University (IRT_15R52) of the Chinese Ministry of Education and Program of Introducing Talents of Discipline to Universities-Plan 111 (Grant No. B20002) from the Ministry of Science and Technology and the Ministry of Education of China. This research is also supported by the European Commission Interreg V France-Wallonie-Vlaanderen project “DepollutAir”. Approved Most recent IF: 9.9; 2024 IF: 4.233  
  Call Number EMAT @ emat @c:irua:206675 Serial 9250  
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Author Faraji, F.; Neyts, E.C.; Milošević, M.V.; Peeters, F.M. pdf  url
doi  openurl
  Title Comment on “Misinterpretation of the Shuttleworth equation” Type A1 Journal Article
  Year 2024 Publication Scripta Materialia Abbreviated Journal Scripta Materialia  
  Volume 250 Issue Pages 116186  
  Keywords A1 Journal Article; CMT  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 001252293900001 Publication Date 2024-05-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1359-6462 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 6 Times cited Open Access  
  Notes Research Foundation Flanders; Approved Most recent IF: 6; 2024 IF: 3.747  
  Call Number UA @ lucian @ CMTc:irua:206327 Serial 9116  
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Author Van Grieken, R.E.; Bresseleers, C.M.; Vanderborght, B.M. doi  openurl
  Title Chelex-100 ion-exchange filter membranes for preconcentration in x-ray-fluorescence analysis of water Type A1 Journal article
  Year 1977 Publication Analytical chemistry Abbreviated Journal  
  Volume 49 Issue 9 Pages 1326-1331  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) A1977DP25600011 Publication Date 2005-03-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:113632 Serial 7639  
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Author Vanderborght, B.M.; Van Grieken, R.E. doi  openurl
  Title Trace metal analysis of water containing humic substances by X-ray fluorescence Type A1 Journal article
  Year 1978 Publication International journal of environmental analytical chemistry Abbreviated Journal  
  Volume 5 Issue 3 Pages 221-237  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Chelation by oxine followed by adsorption on activated carbon results in the efficient collection of many trace metal ions, independent of the trace metal concentration and of high alkali and alkaline earth ion abundances. Preconcentration factors around 10000 are often achieved. When this preconcentration procedure is combined with energy-dispersive X-ray fluorescence, accurate and precise analysis can be carried out, as was proven in several experiments. The technique can also be applied for the determination of divalent ions in natural waters containing up to 10 ppm of humic substances. Trivalent ions can quantitatively be collected from natural water provided suKicient activated carbon is added. Omitting the oxine chelation prior to the activated carbon adsorption step still results in collection of a sometimes important fraction of the trace metal ions from natural waters. This is related to organically bound or colloidal forms of the trace metals.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) A1978FR88000005 Publication Date 2007-07-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0306-7319 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:116570 Serial 8692  
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Author Vanderstappen, M.G.; Van Grieken, R.E. pdf  doi
openurl 
  Title Co-crystallization with 1-(2-pyridylazo)-2-naphthol, and X-ray fluorescence, for trace metal analysis of water Type A1 Journal article
  Year 1978 Publication Talanta : the international journal of pure and applied analytical chemistry Abbreviated Journal  
  Volume 25 Issue 11/12 Pages 653-658  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Adding 20mg of 1-(2-pyridylazo)-2-naphthol (PAN) to a water sample at 70°, and filtering off the precipitate after cooling, gives efficient preconcentration prior to X-ray fluorescence analysis of water. Up to the capacity of about 100 μeq of PAN used, the trace metal recoveries are around 90% or higher for Cr3+, Mn2+, Ni2+, Cu2+, Zn2+, Hg2+ and Eu3+, and above 70% for many other ions. The recovery yields usually do not vary critically with pH in the neutral pH-range, and are practically independent of the sample salinity, sample volume and trace-metal concentration. Enrichment factors as high as 2 × 105 can be achieved. Counting statistics would then allow detection limits of 0.03 ppM. The blank levels in commercial PAN, however, lead to typical detection limits of about 1 ppm. The coefficient of variation is typically in the 510% range at the 10-ppM level. The accuracy and applicability of the procedure are illustrated by comparative analyses on samples of synthetic solutions, river and drinking water.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) A1978GG18200005 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0039-9140; 1873-3573 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:116556 Serial 7675  
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