“Collective excitations in three-dimensional Dirac systems”. Li QN, Vasilopoulos P, Peeters FM, Xu W, Xiao YM, Milošević, MV, Physical review B 109, 115123 (2024). http://doi.org/10.1103/PHYSREVB.109.115123
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.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.7
DOI: 10.1103/PHYSREVB.109.115123
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“Comparison of two polar equations in describing the geometries of domestic pigeon (Columba livia domestica) eggs”. Wang L, Griffin DK, Romanov MN, Gielis J, Poultry science , 104196 (2024). http://doi.org/10.1016/J.PSJ.2024.104196
Abstract: Two-dimensional (2D)egg-shape equa-tions are potent mathematical tools, facilitating the description of avian egg geometries in their applied mathematical modelling and poultry science implementations. In the present study, 2 distinct polar equations,namely the Carter-Morley-Jones equation (CMJE) and simplified Gielis equation(SGE), were used to fit the profile geometries of 415 domestic pigeon (Columba livia domestica) eggs based on nonlinear least squares regression methods.
Keywords: A1 Journal article; Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS)
Impact Factor: 4.4
DOI: 10.1016/J.PSJ.2024.104196
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“Competition between anion-deficient oxide and oxyhydride phases during the topochemical reduction of LaSrCoRuO₆”. Liang Z, Batuk M, Orlandi F, Manuel P, Hadermann J, Hayward MA, Inorganic chemistry 63, 12910 (2024). http://doi.org/10.1021/ACS.INORGCHEM.4C01568
Abstract: Binary metal hydrides can act as low-temperature reducing agents for complex oxides in the solid state, facilitating the synthesis of anion-deficient oxide or oxyhydride phases. The reaction of LaSrCoRuO6, with CaH2 in a sealed tube yields the face-centered cubic phase LaSrCoRuO3.2H1.9. The reaction with LiH under similar conditions converts LaSrCoRuO6 to a mixture of tetragonal LaSrCoRuO4.8H1.2 and cubic LaSrCoRuO3.3H2.13. The formation of the LaSrCoRuOxHy oxyhydride phases proceeds directly from the parent oxide, with no evidence for anion-deficient LaSrCoRuO6-x intermediates, in contrast with many other topochemically synthesized transition-metal oxyhydrides. However, the reaction between LaSrCoRuO6 and LiH under flowing argon yields a mixture of LaSrCoRuO5 and the infinite layer phase LaSrCoRuO4. The change to all-oxide products when reactions are performed under flowing argon is attributed to the lower hydrogen partial pressure under these conditions. The implications for the reaction mechanism of these topochemical transformations is discussed along with the role of the hydrogen partial pressure in oxyhydride synthesis. Magnetization measurements indicate the LaSrCoRuOxHy phases exhibit local moments on Co and Ru centers, which are coupled antiferromagnetically. In contrast, LaSrCoRuO4 exhibits ferromagnetic behavior with a Curie temperature above 350 K, which can be rationalized on the basis of superexchange coupling between the Co1+ and Ru2+ centers.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.6
DOI: 10.1021/ACS.INORGCHEM.4C01568
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“Cut-off voltage influencing the voltage decay of single crystal lithium-rich manganese-based cathode materials in lithium-ion batteries”. Yuan M-M, Wang L-D, Zhang J, Ran M-J, Wang K, Hu Z-Y, Van Tendeloo G, Li Y, Su B-L, Journal of colloid and interface science 674, 238 (2024). http://doi.org/10.1016/J.JCIS.2024.06.131
Abstract: The voltage decay of Li -rich layered oxide cathode materials results in the deterioration of cycling performance and continuous energy loss, which seriously hinders their application in the high-energy – density lithium -ion battery (LIB) market. However, the origin of the voltage decay mechanism remains controversial due to the complex influences of transition metal (TM) migration, oxygen release, indistinguishable surface/bulk reactions and the easy intra/inter-crystalline cracking during cycling. We investigated the direct cause of voltage decay in micrometer -scale single -crystal Li 1.2 Mn 0.54 Ni 0.13 Co 0.13 O 2 (SC-LNCM) cathode materials by regulating the cut-off voltage. The redox of TM and O 2- ions can be precisely controlled by setting different voltage windows, while the cracking can be restrained, and surface/bulk structural evaluation can be monitored because of the large single crystal size. The results show that the voltage decay of SC-LNCM is related to the combined effect of cation rearrangement and oxygen release. Maintaining the discharge cutoff voltage at 3 V or the charging cutoff voltage at 4.5 V effectively mitigates the voltage decay, which provides a solution for suppressing the voltage decay of Lirich and Mn-based layered oxide cathode materials. Our work provides significant insights into the origin of the voltage decay mechanism and an easily achievable strategy to restrain the voltage decay for Li -rich and Mn-based cathode materials.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.9
DOI: 10.1016/J.JCIS.2024.06.131
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“Discovery of pararealgar and semi-amorphous pararealgar in Rembrandt's The Night Watch : analytical study and historical contextualization”. De Keyser N, Broers FTH, Vanmeert F, van Loon A, Gabrieli F, De Meyer S, Gestels A, Gonzalez V, Hermens E, Noble P, Meirer F, Janssens K, Keune K, Heritage science 12, 237 (2024). http://doi.org/10.1186/S40494-024-01350-X
Abstract: This article reports on the discovery of pararealgar and semi-amorphous pararealgar in Rembrandt's masterpiece The Night Watch. A large-scale research project named Operation Night Watch was started in 2019. A variety of non-invasive analytical imaging techniques, together with paint sample research, has provided new information about Rembrandt's pigments, materials, and techniques as well as the current condition of the painting. Macroscopic X-ray fluorescence, macroscopic X-ray powder diffraction and reflectance imaging spectroscopy identified the presence of arsenic sulfide pigments and degradation products of these pigments in the doublet sleeves and embroidered buff coat worn by Lieutenant Willem van Ruytenburch (central figure to the right of Captain Frans Banninck Cocq). Examination by light microscopy of two paint samples taken from this area shows a mixture of large sharp-edged tabular yellow and orange to red pigment particles, and scanning electron microscopy-energy dispersive X-ray analysis identified these particles as containing arsenic and sulfur. Using micro-Raman spectroscopy, the yellow particles were identified as pararealgar, and the orange to red particles as semi-amorphous pararealgar. Synchrotron-based X-ray diffraction allowed visualization of the presence of multiple degradation products associated with arsenic sulfides throughout the paint layer. The discovery of pararealgar and semi-amorphous pararealgar is a new addition to Rembrandt's pigment palette. To contextualize our findings and to hypothesize why, how, and where Rembrandt obtained the pigments, we studied related historical sources. A comprehensive review of historical sources gives insight into the types of artificial arsenic sulfides that were available and suggests that a broader range of arsenic pigments could have been available in Amsterdam in the seventeenth century than previously thought. This is supported by the use of a very similar mixture of pigments by Willem Kalf (1619-1693), a contemporary artist based in Amsterdam. Together with the condition of the particles in the paint cross sections, this brings us to the conclusion that Rembrandt intentionally used pararealgar and semi-amorphous pararealgar, together with lead-tin yellow and vermilion, to create an orange paint.
Keywords: A1 Journal article; Art; Antwerp X-ray Imaging and Spectroscopy (AXIS)
Impact Factor: 2.5
DOI: 10.1186/S40494-024-01350-X
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“Electrochemical classification of benzodiazepines : a comprehensive approach combining insights from voltammetry and liquid chromatography –, mass spectrometry”. Schram J, Parrilla M, Sleegers N, Slosse A, Van Durme F, van Nuijs ALN, De Wael K, Talanta : the international journal of pure and applied analytical chemistry 279, 126623 (2024). http://doi.org/10.1016/J.TALANTA.2024.126623
Abstract: The growing non-medical use of benzodiazepines (BZs) has led to the emergence of counterfeit BZ pills and new psycho-active substances (NPS) in the BZ class on the illicit market. Comprehensive analytical methods for BZ identification are required to allow law enforcement, first aid responders and drug-checking services to analyze a variety of sample types and contents to make timely decisions on the spot. In this work, the electrochemical behavior of diazepam (DZ), clonazepam (CZ) and alprazolam (AP) is studied on graphite screen-printed electrodes, both with and without dissolved oxygen in the solution, to link their redox signals to their chemical structure. After elucidation of their reduction mechanisms using liquid chromatography coupled to highresolution mass spectrometry, three structural classes (Class 1, Class 2 and Class 3) were defined, each with different redox centers and electrochemical behavior. Subsequently, 22 confiscated pills containing 14 different BZs were correctly assigned to these three structural classes, with the deoxygenated conditions displaying the highest class selectivity. Finally, the three classes were successfully detected after being spiked into five alcoholic beverages in the context of drug-facilitated sexual assault. For analysis in red wine, which complicated the analysis by interfering with Class 1, a dual test strategy in pH 2 and pH 7 was proposed for accurate detection. Its rapid measurements, broad scope and lack of interference from diluents or colors makes this method a promising approach for aiding various services in combating problematic BZ use.
Keywords: A1 Journal article; Toxicological Centre; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab); Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS)
Impact Factor: 6.1
DOI: 10.1016/J.TALANTA.2024.126623
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“Electron-phonon coupling and thermal conductivity of MAB compounds”. Kocabas T, Samanta B, Barboza E da S, Sevik C, Milošević, MV, Çakir D, Physical review materials 8, 055002 (2024). http://doi.org/10.1103/PHYSREVMATERIALS.8.055002
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.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.4
DOI: 10.1103/PHYSREVMATERIALS.8.055002
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“Enhanced piezoelectricity by polarization rotation through thermal strain manipulation in PbZr0.6Ti0.4O3 thin films”. Huang S, Houwman E, Gauquelin N, Orekhov A, Chezganov D, Verbeeck J, Hu S, Zhong G, Koster G, Rijnders G, Advanced Materials Interfaces 11, 2400048 (2024). http://doi.org/10.1002/ADMI.202400048
Abstract: Lead based bulk piezoelectric materials, e.g., PbZrxTi1-xO3 (PZT), are widely used in electromechanical applications, sensors, and transducers, for which optimally performing thin films are needed. The results of a multi-domain Landau-Ginzberg-Devonshire model applicable to clamped ferroelectric thin films are used to predict the lattice symmetry and properties of clamped PZT thin films on different substrates. Guided by the thermal strain phase diagrams that are produced by this model, experimentally structural transitions are observed. These can be related to changes of the piezoelectric properties in PZT(x = 0.6) thin films that are grown on CaF2, SrTiO3 (STO) and 70% PbMg1/3Nb2/3O3-30% PbTiO3 (PMN-PT) substrates by pulsed laser deposition. Through temperature en field dependent in situ X-ray reciprocal space mapping (RSMs) and piezoelectric force microscopy (PFM), the low symmetry monoclinic phase and polarization rotation are observed in the film on STO and can be linked to the measured enhanced properties. The study identifies a monoclinic -rhombohedral M-C-M-A-R crystal symmetry path as the polarization rotation mechanism. The films on CaF2 and PMN-PT remain in the same symmetry phase up to the ferroelectric-paraelectric phase transition, as predicted. These results support the validity of the multi-domain model which provides the possibility to predict the behavior of clamped, piezoelectric PZT thin films, and design films with enhanced properties.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 5.4
DOI: 10.1002/ADMI.202400048
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“Evaluation of corrosion impeding concretion layers formed on shipwreck steel in the Belgian North Sea”. Laureys A, Richardson P, Verhasselt K, Chaves IA, Melchers RE, Van Den Bergh K, Depover T, Verbeken K, Potters G, De Baere K, Corrosion 80, 539 (2024). http://doi.org/10.5006/4341
Abstract: Steel shipwrecks buried along the Belgian and French North Sea coast have proven to show very low corrosion rates due to concretion. This work aims to provide an in-depth analysis of the formed concretion layers and gain a more complete understanding of the gradual deposition processes in the North Sea. Detailed microstructural characterization by scanning electron microscopy, energy dispersive x-ray spectroscopy, and x-ray diffraction of two different specimens demonstrates that the concretion includes a complex structure of multiple layers. Closest to the metal surface, a layer of 100% akaganeite is found. It forms from corrosion products exhibiting high Cl- ions concentrations at the metal surface. Next, other iron oxides, such as goethite, lepidocrocite, and magnetite, are observed. Then, layers that both contain corrosion products and compounds from the environment are present. These layers contain calcium carbonates (calcite and aragonite), calcium sulfate (gypsum), and quartz (sand). Moreover, due to a displacement of calcium by iron, an additional phase is formed consisting out of hard, dense siderite mixed into calcite. Finally, the surface of the concretion is covered by a biofilm.
Keywords: A1 Journal article; Engineering sciences. Technology; Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS)
Impact Factor: 1.6
DOI: 10.5006/4341
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“First-principles exploration of superconductivity in intercalated bilayer borophene phases”. Šoškić, BN, Bekaert J, Sevik C, Šljivančanin Ž, Milošević, MV, Physical review materials 8, 064803 (2024). http://doi.org/10.1103/PHYSREVMATERIALS.8.064803
Abstract: We explore the emergence of phonon-mediated superconductivity in bilayer borophenes by controlled intercalation with elements from the groups of alkali, alkaline-earth, and transition metals, using systematic first-principles and Eliashberg calculations. We show that the superconducting properties are primarily governed by the interplay between the out-of-plane (????????) boron states and the partially occupied in-plane (????+????????,????) bonding states at the Fermi level. Our Eliashberg calculations indicate that intercalation with alkaline-earth-metal elements leads to the highest superconducting critical temperatures (????????). Specifically, Be in ????4, Mg in ????3, and Ca in the kagome bilayer borophene demonstrate superior performance with ???????? reaching up to 58 K. Our study therefore reveals that intercalated bilayer borophene phases are not only more resilient to chemical deterioration, but also harbor enhanced ???????? values compared to their monolayer counterparts, underscoring their substantial potential for the development of boron-based two-dimensional superconductors.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.4
DOI: 10.1103/PHYSREVMATERIALS.8.064803
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“Flow-by membraneless electrolyzer designs : a macroporous flow dividing mesh enhances maximum allowable electrode length”. Borah R, Raj AG K, Verbruggen SW, Fuel 377, 132779 (2024). http://doi.org/10.1016/J.FUEL.2024.132779
Abstract: The membraneless electrolyzer design promises a low-cost and robust electrolyzer technology, eliminating the disadvantages associated with the membranes/diaphragms in conventional electrolyzers. Flow-by membraneless electrolyzers exploit the Segré–Silberberg effect, where the electrolyte flow between parallel face-to-face cathode and anode forbids the evolving hydrogen and oxygen bubbles to cross over to the other side, while still allowing ionic currents between the electrodes to pass. The removal of the membrane from traditional electrolyzers, and instead exploiting the electrolyte flow itself to function as a gas separator also imposes certain requirements, namely: 1) upward laminar flow and, 2) vertically aligned electrodes. Given the upper limit of the laminar flow regime (Reynolds number, Re ∼ 1800), the admissible length of both vertically aligned electrodes is constrained by the production volume of H2 and O2 at both electrodes. Beyond a certain production rate the evolving gas plume increases in thickness until it reaches the central line dividing the channel between the electrodes. From that point onwards, flow mediated separation of both gases becomes practically impossible. In this work the design constraints of membraneless electrolyzers are investigated by combined multiphysics modeling and mass-balance analysis. Next, a macroporous flow dividing mesh is introduced in the design that allows seamless ionic flow between the electrodes while facilitating a higher electrolyte velocity in the laminar regime. This in turn enables to increase the maximum electrode length (or height) by >50 %. The model based analysis provides important guidelines for further development of membraneless electrolyzers, significantly reducing future experimental optimization efforts.
Keywords: A1 Journal article; Engineering sciences. Technology; Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS)
Impact Factor: 7.4
DOI: 10.1016/J.FUEL.2024.132779
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“Functionalization of three-dimensional epitaxial graphene with metal nanoparticles”. Pompei E, Vlamidis Y, Ferbel L, Zannier V, Rubini S, Arenas Esteban D, Bals S, Marinelli C, Pfusterschmied G, Leitgeb M, Schmid U, Heun S, Veronesi S, Nanoscale 16, 16107 (2024). http://doi.org/10.1039/D4NR01986E
Abstract: We demonstrate the first successful functionalization of epitaxial three-dimensional graphene with metal nanoparticles. The functionalization is obtained by immersing three-dimensional graphene in a nanoparticle colloidal solution. This method is versatile and demonstrated here for gold and palladium, but can be extended to other types of nanoparticles. We have measured the nanoparticle density on the top surface and in the porous layer volume by scanning electron microscopy and scanning transmission electron microscopy. The samples exhibit a wide coverage of nanoparticles with minimal clustering. We demonstrate that high-quality graphene promotes the functionalization, leading to higher nanoparticle density both on the surface and in the pores. X-ray photoelectron spectroscopy shows the absence of contamination after the functionalization process. Moreover, it confirms the thermal stability of the Au- and Pd-functionalized three-dimensional graphene up to 530 degrees C. Our approach opens new avenues for utilizing three-dimensional graphene as a versatile platform for catalytic applications, sensors, and energy storage and conversion. We report a new technique for fabricating metal-functionalized three-dimensional epitaxial graphene on porous SiC. The process is clean and scalable. The fabricated material exhibits high chemical and thermal stability, and versatility.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 6.7
DOI: 10.1039/D4NR01986E
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“Grain boundary-mediated plasticity in aluminum films unraveled by a statistical approach combining nano-DIC and ACOM-TEM”. Baral P, Kashiwar A, Coulombier M, Delannay L, Hoummada K, Raskin JP, Idrissi H, Pardoen T, Acta materialia 276, 120081 (2024). http://doi.org/10.1016/J.ACTAMAT.2024.120081
Abstract: Nanomechanical on-chip testing is combined with nanoscale in situ digital image correlation and automated crystal orientation mapping in TEM to deliver novel statistically representative quantitative data about the deformation mechanisms in nanocrystalline aluminum films. The films are very ductile, with a rare stable multiple necking process with local strains reaching up to 0.45 and macroscopic elongation up to 0.17. The strain fields with resolution below 100 nm are related to the underlying microstructure and crystallographic orientation maps. This reveals nanoscopic shear bands forming preferentially along GB with high misorientations, tilted at +/− 45° with respect to loading direction. The analysis of these data prove that the strong strain delocalization process is promoted by GB migration and grain rotation, leading to large strain rate sensitivity. The distribution of misorientation angles between grains evolve during deformation. The GBs with misorientation between 20° and 40°, which are the GBs with highest energy, involve the largest strains.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 9.4
DOI: 10.1016/J.ACTAMAT.2024.120081
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“High-Tc Berezinskii-Kosterlitz-Thouless transition in two-dimensional superconducting systems with coupled deep and quasiflat electronic bands with Van Hove singularities”. Paramasivam SK, Gangadharan SP, Milošević, MV, Perali A, Physical review B 110, 024507 (2024). http://doi.org/10.1103/PHYSREVB.110.024507
Abstract: In the pursuit of higher critical temperature of superconductivity, quasiflat electronic bands and Van Hove singularities in two dimensions (2D) have emerged as a potential approach to enhance Cooper pairing on the basis of mean-field expectations. However, these special electronic features suppress the superfluid stiffness and, hence, the Berezinskii-Kosterlitz-Thouless (BKT) transition in 2D superconducting systems, leading to the emergence of a significant pseudogap regime due to superconducting fluctuations. In the strong-coupling regime, one finds that superfluid stiffness is inversely proportional to the superconducting gap, which is the predominant factor contributing to the strong suppression of superfluid stiffness. Here we reveal that the aforementioned limitation is avoided in a 2D superconducting electronic system with a quasiflat electronic band with a strong pairing strength coupled to a deep band with weak electronic pairing strength. Owing to the multiband effects, we demonstrate a screening-like mechanism that circumvents the suppression of the superfluid stiffness. We report the optimal conditions for achieving a large enhancement of the BKT transition temperature and a substantial shrinking of the pseudogap regime by tuning the intraband couplings and the pair-exchange coupling between the two band-condensates.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.7
DOI: 10.1103/PHYSREVB.110.024507
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“Hydrogenation-controlled band engineering of dumbbell graphene”. Song Y, Chen M, Xie X, Liu X, Li J, Peeters FM, Li L, Nano energy 127, 109763 (2024). http://doi.org/10.1016/J.NANOEN.2024.109763
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.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 17.6
DOI: 10.1016/J.NANOEN.2024.109763
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“Imaging the suppression of ferromagnetism in LaMnO₃, by metallic overlayers”. Folkers B, Jansen T, Roskamp TJ, Reith P, Timmermans A, Jannis D, Gauquelin N, Verbeeck J, Hilgenkamp H, Rosario CMM, Physical review materials 8, 054408 (2024). http://doi.org/10.1103/PHYSREVMATERIALS.8.054408
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.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.4
DOI: 10.1103/PHYSREVMATERIALS.8.054408
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“Interlayer affected diamond electrochemistry”. Chen X, Dong X, Zhang C, Zhu M, Ahmed E, Krishnamurthy G, Rouzbahani R, Pobedinskas P, Gauquelin N, Jannis D, Kaur K, Hafez AME, Thiel F, Bornemann R, Engelhard C, Schoenherr H, Verbeeck J, Haenen K, Jiang X, Yang N, Small methods , 2301774 (2024). http://doi.org/10.1002/SMTD.202301774
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
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 12.4
DOI: 10.1002/SMTD.202301774
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“Key electronic parameters of 2H-stacking bilayer MoS₂, on sapphire substrate determined by terahertz magneto-optical measurement in Faraday geometry”. Cheng X, Xu W, Wen H, Zhang J, Zhang H, Li H, Peeters FM, Frontiers of physics 19, 63204 (2024). http://doi.org/10.1007/S11467-024-1425-4
Abstract: Bilayer (BL) transition metal dichalcogenides (TMDs) are important materials in valleytronics and twistronics. Here we study terahertz (THz) magneto-optical (MO) properties of n-type 2H-stacking BL molybdenum sulfide (MoS2) on sapphire substrate grown by chemical vapor deposition. The AFM, Raman spectroscopy and photoluminescence are used for characterization of the samples. Applying THz time-domain spectroscopy (TDS), in combination with polarization test and the presence of magnetic field in Faraday geometry, THz MO transmissions through the sample are measured from 0 to 8 T at 80 K. The complex right- and left-handed circular MO conductivities for 2H-stacking BL MoS2 are obtained. Through fitting the experimental results with theoretical formula of MO conductivities for an electron gas, generalized by us previously through the inclusion of photon-induced electronic backscattering effect, we are able to determine magneto-optically the key electronic parameters of BL MoS2, such as the electron density n(e), the electronic relaxation time tau, the electronic localization factor c and, particularly, the effective electron mass m* around Q-point in between the K- and Gamma-point in the electronic band structure. The dependence of these parameters upon magnetic field is examined and analyzed. This is a pioneering experimental work to measure m* around the Q-point in 2H-stacking BL MoS2 and the experimental value is very close to that obtained theoretically. We find that n(e)/tau/ divided by c divided by /m* in 2H-stacking BL MoS2 decreases/increases/decreases/increases with increasing magnetic field. The results obtained from this study can be benefit to us in gaining an in-depth understanding of the electronic and optoelectronic properties of BL TMD systems.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 7.5
DOI: 10.1007/S11467-024-1425-4
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“Longitudinal and transverse mobilities of n-type monolayer transition metal dichalcogenides in the presence of proximity-induced interactions at low temperature”. Liu J, Xu W, Xiao YM, Ding L, Li HW, Van Duppen B, Milošević, MV, Peeters FM, Physical review B 109, 195418 (2024). http://doi.org/10.1103/PHYSREVB.109.195418
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.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.7
DOI: 10.1103/PHYSREVB.109.195418
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“Magnetic ferroelectric metal in bilayer Fe₃GeTe₂, under interlayer sliding”. Miao X, Milošević, M, Zhang C, Physica: B : condensed matter 694, 416427 (2024). http://doi.org/10.1016/J.PHYSB.2024.416427
Abstract: The inherent interlayer freedom in van der Waals stacked materials provides an excellent opportunity to investigate ferroelectric-like behavior through interlayer translation. Based on first-principles calculations, we find that the interlayer sliding in Fe3GeTe2 (FGT) bilayer enables the coexistence of polarization, metallicity, and ferromagnetism. We find that the polarization is induced by the uncompensated vertical interlayer charge transfer, and can be switched by an in-plane interlayer sliding. A moderate biaxial strain can reverse the polarization direction of the sliding FGT bilayer. The vertical polarization disentangles with the in-plane conductivity as was previously seen in the sliding ferroelectric WTe2 bilayer. Our work proposes an extremely rare magnetic ferroelectric metal phase that is useful for magnetoelectric and spintronic applications.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.8
DOI: 10.1016/J.PHYSB.2024.416427
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“Magneto-optical conductivity of monolayer transition metal dichalcogenides in the presence of proximity-induced exchange interaction and external electrical field”. Li Y, Xiao YM, Xu W, Ding L, Milošević, MV, Peeters FM, Physical review B 109, 165441 (2024). http://doi.org/10.1103/PHYSREVB.109.165441
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.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.7
DOI: 10.1103/PHYSREVB.109.165441
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“Multiferroic ScLaX₂, (X = P, As, and Sb) monolayers : bidirectional negative Poisson's ratio effects and phase transformations driven by rare-earth (main-group) elements”. Tian X, Xie X, Li J, Kong X, Gong W-J, Peeters FM, Li L, Physical review materials 8, 084407 (2024). http://doi.org/10.1103/PHYSREVMATERIALS.8.084407
Abstract: The combination of auxetic property, ferroelasticity, and ferroelectricity in two-dimensional materials offers new avenues for next-generation multifunctional devices. However, two-dimensional materials that simultaneously exhibit those properties are rarely reported. Here, we present a class of two-dimensional Janus-like structures ScLaX2 X 2 (X X = P, As, and Sb) with a rectangular lattice based on first-principles calculations. We predict that those ScLaX2 X 2 monolayers are stable semiconductors with both intrinsic in-plane and out-of-plane auxetic properties, showing a bidirectional negative Poisson's ratio effect. The value of the out-of-plane negative Poisson's ratio effect can reach – 2.28 /- 3.06 /- 3.89. By applying uniaxial strain engineering, two transition paths can be found, including the VA main group element path and the rare-earth metal element path, corresponding to the ferroelastic and the multiferroic (ferroelastic and ferroelectric) phase transition, respectively. For the ScLaSb2 2 monolayer, the external force field can not only control the ferroelastic phase transition, but it can also lead to the reversal of the out-of-plane polarization, exhibiting potential multiferroicity. The coupling between the bidirectional negative Poisson's ratio effect and multiferroicity makes the ScLaX2 X 2 monolayers promising for future device applications.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.4
DOI: 10.1103/PHYSREVMATERIALS.8.084407
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“A new approach to circular inversion in l₁-normed spaces”. Ermiş, T, Şen AO, Gielis J, Symmetry 16, 874 (2024). http://doi.org/10.3390/SYM16070874
Abstract: While there are well-known synthetic methods in the literature for finding the image of a point under circular inversion in l2-normed geometry (Euclidean geometry), there is no similar synthetic method in Minkowski geometry, also known as the geometry of finite-dimensional Banach spaces. In this study, we have succeeded in creating a synthetic construction of the circular inversion in l1-normed spaces, which is one of the most fundamental examples of Minkowski geometry. Moreover, this synthetic construction has been given using the Euclidean circle, independently of the l1-norm.
Keywords: A1 Journal article; Engineering sciences. Technology; Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS)
Impact Factor: 2.7
DOI: 10.3390/SYM16070874
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“Nickel hydroxide nanosphere decorated reduced-TiO₂, nanotubes as supercapacitor electrodes”. Tunca S, Parrilla M, Raj K, Nuyts G, Verbruggen SW, De Wael K, Electrochimica acta 505, 144990 (2024). http://doi.org/10.1016/J.ELECTACTA.2024.144990
Abstract: A straightforward electrochemical method was developed to modify titanium dioxide nanotubes (TiO2 NTs), creating oxygen vacancies via electrochemical reduction (ER) and depositing nickel hydroxide nanospheres (Ni (OH)2 NSs). This was done to discover the electrochemical properties of a TiO2 NTs based binder-free supercapacitor electrode. The improved conductivity of the reduced TiO2 NTs (R-TiO2 NTs) electrode provided a 90fold increase in the specific capacitance compared to that of pristine TiO2 NTs. R-TiO2 NTs were further decorated with Ni(OH)2 NSs by an electrodeposition method to further improve the supercapacitive performance. Fabricated R-TiO2 NTs/Ni(OH)2 electrodes exhibited a high areal specific capacitance value of 305.91 mF/cm2 at a current density of 0.75 mA/cm2. The modified electrode shows an improved charge-storage capacity compared to the TiO2 NTs/Ni(OH)2 electrodes, and to previously reported 1D-TiO2/Ni(OH)2 nanocomposite structures. Furthermore, the proposed electrode showed good cyclic stability by retaining 71% of its initial capacitance after 1500 cycles and a promising rate capability with a capacitive retention of 86% while increasing the current density from 0.75 to 5 mA/cm2. Overall, the ER step proved to improve the conductivity of the R-TiO2 NTs, which favors the deposition of the Ni(OH)2 NSs and promotes the Faradaic reactions at the electrode-electrolyte interface demonstrating a promising supercapacitor electrode material.
Keywords: A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab); Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS)
Impact Factor: 6.6
DOI: 10.1016/J.ELECTACTA.2024.144990
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“Optical properties of metallic MXene multilayers through advanced first-principles calculations”. Kandemir Z, D'Amico P, Sesti G, Cardoso C, Milošević, MV, Sevik C, Physical review materials 8, 075201 (2024). http://doi.org/10.1103/PHYSREVMATERIALS.8.075201
Abstract: Having a strong electromagnetic absorption, MXene multilayers are readily envisaged for applications in electromagnetic shields and related prospective technology. However, an ab initio characterization of the optical properties of MXenes is still lacking, due in part to major difficulties with the treatment of metallicity in the first-principles approaches. Here we addressed the latter challenge, after a careful treatment of intraband transitions, to present a thorough analysis of the electronic and optical properties of a selected set of metallic MXene layers based on density functional theory (DFT) and many-body perturbation theory calculations. Our results reveal that the GW corrections are particularly important in regions of the band structure where d and p states hybridize. For some systems, we show that GW corrections open a gap between occupied states, resulting in a band structure that closely resembles that of an intrinsic transparent conductor, thereby opening an additional line of prospective applications for the MXenes family. Nevertheless, GW and Bethe-Salpeter corrections have a minimal influence on the absorption spectra, in contrast to what is typically observed in semiconductor layers. Our present results suggest that calculations within the independent particle approximation (IPA) calculations are sufficiently accurate for assessing the optical characteristics of bulk-layered MXene materials. Finally, our calculated dielectric properties and absorption spectra, in agreement with existing experimental data, confirm the potential of MXenes as effective infrared emitters.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.4
DOI: 10.1103/PHYSREVMATERIALS.8.075201
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“Phthalocyanine adsorbed on monolayer CrI₃, : tailoring their magnetic properties”. Bacaksiz C, Fyta M, ACS Omega 9, 34589 (2024). http://doi.org/10.1021/ACSOMEGA.4C02708
Abstract: Metallo-phthalocyanines molecules, especially ironphthalocyanines (Fe-Pc), are often examined due to their rich chemical, magnetic, and optoelectronic features. Due to these, Fe-Pc molecules are promising for applications in gas sensors, field-effect transistors, organic LEDs, and data storage. Motivated by this potential, this study investigates Fe-Pc molecules adsorbed on a magnetic monolayer, CrI3. Using quantum-mechanical simulations, the aim of this work was to find pathways to selectively tune and engineer the magnetic and electronic properties of the molecules when they form hybrid complexes. The results quantitatively underline how adsorption alters the magnetic properties of the Fe-Pc molecules. Interestingly, the analysis points to changes in the molecular magnetic anisotropy when comparing the magnetic moment of the isolated molecule to that of the molecule/monolayer complex formed after adsorption. The presence of iodine vacancies was shown to enhance the magnetic interactions between the iron of the Fe-Pc molecule and the chromium of the monolayer. Our findings suggest ways to control oxygen capture-release properties through material choice and defect creation. Insights into the stability and charge density depletion on the molecule provide critical information for selective tuning of the magnetic properties and engineering of the functionalities of these molecule/material complexes.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 4.1
DOI: 10.1021/ACSOMEGA.4C02708
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“Probing charge transport and microstructural attributes in solvent- versus water-based electrodes with a spotlight on Li-S battery cathode”. Yari S, Bird L, Rahimisheikh S, Reis AC, Mohammad M, Hadermann J, Robinson J, Shearing PR, Safari M, Advanced energy materials , 2402163 (2024). http://doi.org/10.1002/AENM.202402163
Abstract: In the quest for environmentally benign battery technologies, this study examines the microstructural and transport properties of water-processed electrodes and compares them to conventionally formulated electrodes using the toxic solvent, N-Methyl-2-pyrrolidone (NMP). Special focus is placed on sulfur electrodes utilized in lithium-sulfur batteries for their sustainability and compatibility with diverse binder/solvent systems. The characterization of the electrodes by X-ray micro-computed tomography reveals that in polyvinylidene fluoride (PVDF) Lithium bis(trifluoromethanesulfonyl)imide/NMP, sulfur particles tend to remain in large clusters but break down into finer particles in carboxymethyl cellulose-styrene butadiene rubber (CMC-SBR)/water and lithium polyacrylate (LiPAA)/water dispersions. The findings reveal that in the water-based electrodes, the binder properties dictate the spatial arrangement of carbon particles, resulting in either thick aggregates with short-range connectivity or thin films with long-range connectivity among sulfur particles. Additionally, cracking is found to be particularly prominent in thicker water-based electrodes, propagating especially in regions with larger particle agglomerates and often extending to cause local delamination of the electrodes. These microstructural details are shown to significantly impact the tortuosity and contact resistance of the sulfur electrodes and thereby affecting the cycling performance of the Li-S battery cells. The choice of solvent and binder is crucial in determining particle surface charge, which directly influences active material dispersion and carbon-binder arrangement within the battery porous electrodes. This, in turn, affects ionic and electronic transport properties, ultimately impacting electrochemical performance. Meticulous engineering of the slurry to control these factors is essential for efficient and sustainable water-based electrode processing. image
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 27.8
DOI: 10.1002/AENM.202402163
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“Progress in spin logic devices based on domain-wall motion”. Vermeulen BB, Sorée B, Couet S, Temst K, Van Nguyen D, Micromachines 15, 696 (2024). http://doi.org/10.3390/MI15060696
Abstract: Spintronics, utilizing both the charge and spin of electrons, benefits from the nonvolatility, low switching energy, and collective behavior of magnetization. These properties allow the development of magnetoresistive random access memories, with magnetic tunnel junctions (MTJs) playing a central role. Various spin logic concepts are also extensively explored. Among these, spin logic devices based on the motion of magnetic domain walls (DWs) enable the implementation of compact and energy-efficient logic circuits. In these devices, DW motion within a magnetic track enables spin information processing, while MTJs at the input and output serve as electrical writing and reading elements. DW logic holds promise for simplifying logic circuit complexity by performing multiple functions within a single device. Nevertheless, the demonstration of DW logic circuits with electrical writing and reading at the nanoscale is still needed to unveil their practical application potential. In this review, we discuss material advancements for high-speed DW motion, progress in DW logic devices, groundbreaking demonstrations of current-driven DW logic, and its potential for practical applications. Additionally, we discuss alternative approaches for current-free information propagation, along with challenges and prospects for the development of DW logic.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
DOI: 10.3390/MI15060696
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“Rashba-type band splitting effect in 2D (PEA)₂PbI₄, perovskites and its impact on exciton-phonon coupling”. Ghosh S, Pradhan B, Bandyopadhyay A, Skvortsova I, Zhang Y, Sternemann C, Paulus M, Bals S, Hofkens J, Karki KJ, Materny A, The journal of physical chemistry letters 15, 7970 (2024). http://doi.org/10.1021/ACS.JPCLETT.4C01957
Abstract: Despite a few recent reports on Rashba effects in two-dimensional (2D) Ruddlesden-Popper (RP) hybrid perovskites, the precise role of organic spacer cations in influencing Rashba band splitting remains unclear. Here, using a combination of temperature-dependent two-photon photoluminescence (2PPL) and time-resolved photoluminescence spectroscopy, alongside density functional theory (DFT) calculations, we contribute to significant insights into the Rashba band splitting found for 2D RP hybrid perovskites. The results demonstrate that the polarity of the organic spacer cation is crucial in inducing structural distortions that lead to Rashba-type band splitting. Our investigations show that the intricate details of the Rashba band splitting occur for organic cations with low polarity but not for more polar ones. Furthermore, we have observed stronger exciton-phonon interactions due to the Rashba-type band splitting effect. These findings clarify the importance of selecting appropriate organic spacer cations to manipulate the electronic properties of 2D perovskites.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 5.7
DOI: 10.1021/ACS.JPCLETT.4C01957
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“Selecting optimal carbon inks for fabricating high-performance screen-printed electrodes for diverse electroanalytical applications”. Barich H, Voet O, Sleegers N, Schram J, Montiel FN, Beltran V, Nuyts G, De Wael K, Journal of electroanalytical chemistry : an international journal devoted to all aspects of electrode kynetics, interfacial structure, properties of electrolytes, colloid and biological electrochemistry. 971, 118585 (2024). http://doi.org/10.1016/J.JELECHEM.2024.118585
Abstract: Carbon-based screen-printed electrodes (SPEs) are extensively employed in electrochemistry due to their reproducibility, low-cost production, disposability and versatility. It is commonly accepted that batch to batch variations may occur due to variations in the ink formulation or the use of a different ink to print the electrodes. In this paper, three different commercial carbon-based inks (DuPont, Loctite and SunChemical) were used to manufacture SPEs, referred to respectively as Dup-SPE, Loc-SPE and Sun-SPE, using a semi-automated screen-printing technology. This study focuses on evaluating the quality, characteristics and electrochemical performance of the fabricated SPEs. Furthermore, the study aimed to investigate potential correlations between the ink composition and the nature of different target molecules, as well as their electroanalytical responses. Specifically, phenolic compounds and cocaine cutting agents are tested in alkaline conditions, while benzodiazepines and cephalosporine antibiotics are investigated in acidic media using square wave voltammetry (SWV). This aims to extract insights for the proper selection of inks and SPEs in both conditions. Additionally, a scan rate study of cephalosporine antibiotics using linear sweep voltammetry (LSV) is performed confirming the ion-exchange polymer layer on the electrode surface of Loc-SPE, which impact surface and electrochemical properties, leading to drawbacks in alkaline SWV sensing, but strategic benefits in reductive sensing resulting in an enhanced selective detection of specific targets. The insights on ink-specific influences on the surface and electrochemical properties of the SPEs obtained, may be useful for facilitating the electrode selection in diverse electrochemical applications, emphasizing the critical role of ink composition in achieving desired sensing capabilities.
Keywords: A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab); Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS)
Impact Factor: 4.5
DOI: 10.1016/J.JELECHEM.2024.118585
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