“Characterization of 18th century Portuguese glass from Real Fábrica de Vidros de Coina”. Lopes F, Lima A, Pires de Matos A, Custódio J, Cagno S, Schalm O, Janssens K, Journal of Archaeological Science: Reports 14, 137 (2017). http://doi.org/10.1016/J.JASREP.2017.05.020
Abstract: This work reports the first systematic chemical characterization of Portuguese 18th century glassware. 28 selected glass fragments, recovered from an archaeological excavation carried out in the site where King D. João V of Portugal established an important glass manufacture, Real Fábrica de Vidros de Coina (Coina Royal Glass Factory), were studied. This factory operated from 1719 until 1747, the year in which the factory was transferred to Marinha Grande. The fragments were analysed by micro-energy dispersive X-ray fluorescence (micro-EDXRF), using a portable spectrometer ArtTAX, and scanning electron microscopy (SEM-EDX). The analytical data showed that a large variety of glass types was manufactured in that factory, namely soda-lime glass, mixed-alkali glass, high lime-low alkali glass, potash glass and lead glass. In general, the composition of the glass varies according to the function of the objects. It was demonstrated that micro-EDXRF can be an important tool to characterize museum glass objects when only in situ non-invasive analytical methods are allowed.
Keywords: A1 Journal article; Engineering sciences. Technology; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)
Times cited: 3
DOI: 10.1016/J.JASREP.2017.05.020
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“Compositional distinctions between 16th century “Façon-de-Venise&rdquo, and Venetian glass vessels, excavated in Antwerp, Belgium”. Deraedt I, Janssens K, Veeckman J, Journal of analytical atomic spectroscopy 14, 483 (1999). http://doi.org/10.1039/A808385A
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1039/A808385A
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“An electrochemical impedimetric aptasensing platform for sensitive and selective detection of small molecules such as chloramphenicol”. Pilehvar S, Dierckx T, Blust R, Breugelmans T, De Wael K, Sensors 14, 12059 (2014). http://doi.org/10.3390/S140712059
Abstract: We report on the aptadetection of chloramphenicol (CAP) using electrochemical impedance spectroscopy. The detection principle is based on the changes of the interfacial properties of the electrode after the interaction of the ssDNA aptamers with the target molecules. The electrode surface is partially blocked due to the formation of the aptamer-CAP complex, resulting in an increase of the interfacial electron-transfer resistance of the redox probe detected by electrochemical impedance spectroscopy or cyclic voltammetry. We observed that the ratio of polarization resistance had a linear relationship with the concentrations of CAP in the range of 1.76127 nM, and a detection limit of 1.76 nM was obtained. The covalent binding of CAP-aptamer on the electrode surface combined with the unique properties of aptamers and impedimetric transduction leads to the development of a stable and sensitive electrochemical aptasensor for CAP.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Applied Electrochemistry & Catalysis (ELCAT)
Impact Factor: 2.677
Times cited: 34
DOI: 10.3390/S140712059
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“Modeling of photon scattering at high X-ray energies : experiment versus simulation”. Vincze L, Vekemans B, Janssens K, Adams F, Journal of analytical atomic spectrometry
T2 –, 15th International Congress on X-Ray Optics and Microanalysis (ICXOM), AUG 24-27, 1998, ANTWERP, BELGIUM 14, 529 (1999). http://doi.org/10.1039/A808040B
Abstract: The use of a detailed Monte Carlo simulation code for X-ray fluorescence spectrometers is demonstrated for calculating the outcome of X-ray scattering experiments in the incident energy range 40-80 keV. The code was validated by comparisons of experimental and simulated spectral distributions in the case of thick, homogeneous samples in which multiple photon scattering occurs with high probability. The experimental spectral distributions were collected at beamline BW5 of HASYLAB, Germany, where a highly energetic, monochromatic synchrotron beam is available. With respect to heterogeneous samples, the code was employed to evaluate the use of Rayleigh and Compton scatter signals for obtaining three dimensional information on the sample dark matrix composition.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 3.379
DOI: 10.1039/A808040B
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“Quantitative analysis of 16-17th century archaeological glass vessels using PLS regression of EPXMA and μ-XRF data”. Lemberge P, Deraedt I, Janssens K, van Espen P, Journal of chemometrics 14, 751 (2000). http://doi.org/10.1002/1099-128X(200009/12)14:5/6<751::AID-CEM622>3.0.CO;2-D
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3)
Impact Factor: 1.884
DOI: 10.1002/1099-128X(200009/12)14:5/6<751::AID-CEM622>3.0.CO;2-D
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“Special issue on Microscopic and ultratrace x-ray fluorescence analysis: 2”. Janssens K, Journal of trace and microprobe techniques 14, 461 (1996)
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Unravelling the mysteries of gas phase photocatalytic reaction pathways by studying the catalyst surface : a literature review of different Fourier transform infrared spectroscopic reaction cells used in the field”. Hauchecorne B, Lenaerts S, Journal of photochemistry and photobiology: C: photochemistry reviews 14, 72 (2013). http://doi.org/10.1016/J.JPHOTOCHEMREV.2012.09.003
Abstract: Unlike the profound knowledge of the reaction mechanisms occurring in water phase photocatalysis, still fairly little is known on the reaction mechanisms occurring on the catalyst surface when dealing with gaseous pollutants. Unfortunately, there are some differences between both reactions. For one, there are no abundant hydroxyl radicals present in the gas phase, so that possibly other species prove to be important in abating the pollutant. In order to unravel the mysteries of gas phase photocatalytic reaction pathways, in situ techniques must be used to allow the detection and identification of reaction intermediates on a working catalyst. Several techniques were already used in the past, of which Fourier transform infrared spectroscopy seems to be the most versatile. This review will therefore give a selective overview of different spectroscopic reaction cells constructed for the in situ study of photocatalytic gas phase reactions.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 12.317
Times cited: 8
DOI: 10.1016/J.JPHOTOCHEMREV.2012.09.003
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“Groundwater remediation and the cost effectiveness of phytoremediation”. Compernolle T, Van Passel S, Weyens N, Vangronsveld J, Lebbe L, Thewys T, International Journal Of Phytoremediation 14, 861 (2012). http://doi.org/10.1080/15226514.2011.628879
Abstract: In 1999, phytoremediation was applied at the site of a Belgian car factory to contain two BTEX plumes. This case study evaluates the cost effectiveness of phytoremediation compared to other remediation options, applying a tailored approach for economic evaluation. Generally, when phytoremediation is addressed as being cost effective, the cost effectiveness is only determined on an average basis. This study however, demonstrates that an incremental analysis may provide a more nuanced conclusion. When the cost effectiveness is calculated on an average basis, in this particular case, the no containment strategy (natural attenuation) has the lowest cost per unit mass removed and hence, should be preferred. However, when the cost effectiveness is determined incrementally, no containment should only be preferred if the value of removing an extra gram of contaminant mass is lower than 320. Otherwise, a permeable reactive barrier should be adopted. A similar analysis is provided for the effect determined on the basis of remediation time. Phytoremediation is preferred compared to no containment if reaching the objective one year earlier is worth 7 000.
Keywords: A1 Journal article; Economics; Engineering Management (ENM)
Impact Factor: 1.77
Times cited: 12
DOI: 10.1080/15226514.2011.628879
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“3D Characterization and Plasmon Mapping of Gold Nanorods Welded by Femtosecond Laser Irradiation”. Milagres de Oliveira T, Albrecht W, González-Rubio G, Altantzis T, Lobato Hoyos IP, Béché, A, Van Aert S, Guerrero-Martínez A, Liz-Marzán LM, Bals S, Acs Nano 14, acsnano.0c02610 (2020). http://doi.org/10.1021/acsnano.0c02610
Abstract: Ultrafast laser irradiation can induce morphological and structural changes in plasmonic nanoparticles. Gold nanorods (Au NRs), in particular, can be welded together upon irradiation with femtosecond laser pulses, leading to dimers and trimers through the formation of necks between individual nanorods. We used electron tomography to determine the 3D (atomic) structure at such necks for representative welding geometries and to characterize the induced defects. The spatial distribution of localized surface plasmon modes for different welding configurations was assessed by electron energy loss spectroscopy. Additionally, we were able to directly compare the plasmon line width of single-crystalline and welded Au NRs with single defects at the same resonance energy, thus making a direct link between the structural and plasmonic properties. In this manner, we show that the occurrence of (single) defects results in significant plasmon broadening.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)
Impact Factor: 17.1
Times cited: 25
DOI: 10.1021/acsnano.0c02610
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“Luminescent Colloidal InSb Quantum Dots from In Situ Generated Single-Source Precursor”. Busatto S, Ruiter M de, Jastrzebski JTBH, Albrecht W, Pinchetti V, Brovelli S, Bals S, Moret M-E, de Mello Donega C, Acs Nano 14, 13146 (2020). http://doi.org/10.1021/acsnano.0c04744
Abstract: Despite recent advances, the synthesis of colloidal InSb quantum dots (QDs) remains underdeveloped, mostly due to the lack of suitable precursors. In this work, we use Lewis acid–base interactions between Sb(III) and In(III) species formed at room temperature in situ from commercially available compounds (viz., InCl3, Sb[NMe2]3 and a primary alkylamine) to obtain InSb adduct complexes. These complexes are successfully used as precursors for the synthesis of colloidal InSb QDs ranging from 2.8 to 18.2 nm in diameter by fast coreduction at sufficiently high temperatures (≥230 °C). Our findings allow us to propose a formation mechanism for the QDs synthesized in our work, which is based on a nonclassical nucleation event, followed by aggregative growth. This yields ensembles with multimodal size distributions, which can be fractionated in subensembles with relatively narrow polydispersity by postsynthetic size fractionation. InSb QDs with diameters below 7.0 nm have the zinc blende crystal structure, while ensembles of larger QDs (≥10 nm) consist of a mixture of wurtzite and zinc blende QDs. The QDs exhibit photoluminescence with small Stokes shifts and short radiative lifetimes, implying that the emission is due to band-edge recombination and that the direct nature of the bandgap of bulk InSb is preserved in InSb QDs. Finally, we constructed a sizing curve correlating the peak position of the lowest energy absorption transition with the QD diameters, which shows that the band gap of colloidal InSb QDs increases with size reduction following a 1/d dependence.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 17.1
Times cited: 21
DOI: 10.1021/acsnano.0c04744
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“High-voltage cycling induced thermal vulnerability in LiCoO₂, cathode : cation loss and oxygen release driven by oxygen vacancy migration”. Sun C, Liao X, Xia F, Zhao Y, Zhang L, Mu S, Shi S, Li Y, Peng H, Van Tendeloo G, Zhao K, Wu J, Acs Nano 14, 6181 (2020). http://doi.org/10.1021/ACSNANO.0C02237
Abstract: The release of the lattice oxygen due to the thermal degradation of layered lithium transition metal oxides is one of the major safety concerns in Li-ion batteries. The oxygen release is generally attributed to the phase transitions from the layered structure to spinel and rocksalt structures that contain less lattice oxygen. Here, a different degradation pathway in LiCoO2 is found, through oxygen vacancy facilitated cation migration and reduction. This process leaves undercoordinated oxygen that gives rise to oxygen release while the structure integrity of the defect-free region is mostly preserved. This oxygen release mechanism can be called surface degradation due to the kinetic control of the cation migration but has a slow surface to bulk propagation with continuous loss of the surface cation ions. It is also strongly correlated with the high-voltage cycling defects that end up with a significant local oxygen release at low temperatures. This work unveils the thermal vulnerability of high-voltage Li-ion batteries and the critical role of the surface fraction as a general mitigating approach.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 17.1
Times cited: 8
DOI: 10.1021/ACSNANO.0C02237
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“Proton and Li-Ion permeation through graphene with eight-atom-ring defects”. Griffin E, Mogg L, Hao G-P, Kalon G, Bacaksiz C, Lopez-Polin G, Zhou TY, Guarochico V, Cai J, Neumann C, Winter A, Mohn M, Lee JH, Lin J, Kaiser U, Grigorieva I V, Suenaga K, Ozyilmaz B, Cheng H-M, Ren W, Turchanin A, Peeters FM, Geim AK, Lozada-Hidalgo M, Acs Nano 14, 7280 (2020). http://doi.org/10.1021/ACSNANO.0C02496
Abstract: Defect-free graphene is impermeable to gases and liquids but highly permeable to thermal protons. Atomic-scale defects such as vacancies, grain boundaries, and Stone-Wales defects are predicted to enhance graphene's proton permeability and may even allow small ions through, whereas larger species such as gas molecules should remain blocked. These expectations have so far remained untested in experiment. Here, we show that atomically thin carbon films with a high density of atomic-scale defects continue blocking all molecular transport, but their proton permeability becomes similar to 1000 times higher than that of defect-free graphene. Lithium ions can also permeate through such disordered graphene. The enhanced proton and ion permeability is attributed to a high density of eight-carbon-atom rings. The latter pose approximately twice lower energy barriers for incoming protons compared to that of the six-atom rings of graphene and a relatively low barrier of similar to 0.6 eV for Li ions. Our findings suggest that disordered graphene could be of interest as membranes and protective barriers in various Li-ion and hydrogen technologies.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 17.1
Times cited: 53
DOI: 10.1021/ACSNANO.0C02496
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“Atomic and electronic structure of a multidomain GeTe crystal”. Frolov AS, Sanchez-Barriga J, Callaert C, Hadermann J, Fedorov A V, Usachov DY, Chaika AN, Walls BC, Zhussupbekov K, Shvets I V, Muntwiler M, Amati M, Gregoratti L, Varykhalov AY, Rader O, Yashina L V, Acs Nano 14, 16576 (2020). http://doi.org/10.1021/ACSNANO.0C05851
Abstract: Renewed interest in the ferroelectric semi-conductor germanium telluride was recently triggered by the direct observation of a giant Rashba effect and a 30-year-old dream about a functional spin field-effect transistor. In this respect, all-electrical control of the spin texture in this material in combination with ferroelectric properties at the nanoscale would create advanced functionalities in spintronics and data information processing. Here, we investigate the atomic and electronic properties of GeTe bulk single crystals and their (111) surfaces. We succeeded in growing crystals possessing solely inversion domains of similar to 10 nm thickness parallel to each other. Using HAADF-TEM we observe two types of domain boundaries, one of them being similar in structure to the van der Waals gap in layered materials. This structure is responsible for the formation of surface domains with preferential Te-termination (similar to 68%) as we determined using photoelectron diffraction and XPS. The lateral dimensions of the surface domains are in the range of similar to 10-100 nm, and both Ge- and Te-terminations reveal no reconstruction. Using spin-ARPES we establish an intrinsic quantitative relationship between the spin polarization of pure bulk states and the relative contribution of different terminations, a result that is consistent with a reversal of the spin texture of the bulk Rashba bands for opposite configurations of the ferroelectric polarization within individual nanodomains. Our findings are important for potential applications of ferroelectric Rashba semiconductors in nonvolatile spintronic devices with advanced memory and computing capabilities at the nanoscale.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 17.1
DOI: 10.1021/ACSNANO.0C05851
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“From the Birkeland–Eyde process towards energy-efficient plasma-based NOXsynthesis: a techno-economic analysis”. Rouwenhorst KHR, Jardali F, Bogaerts A, Lefferts L, Energy &, Environmental Science 14, 2520 (2021). http://doi.org/10.1039/D0EE03763J
Abstract: Plasma-based NO<sub>X</sub>synthesis<italic>via</italic>the Birkeland–Eyde process was one of the first industrial nitrogen fixation methods. However, this technology never played a dominant role for nitrogen fixation, due to the invention of the Haber–Bosch process. Recently, nitrogen fixation by plasma technology has gained significant interest again, due to the emergence of low cost, renewable electricity. We first present a short historical background of plasma-based NO<sub>X</sub>synthesis. Thereafter, we discuss the reported performance for plasma-based NO<sub>X</sub>synthesis in various types of plasma reactors, along with the current understanding regarding the reaction mechanisms in the plasma phase, as well as on a catalytic surface. Finally, we benchmark the plasma-based NO<sub>X</sub>synthesis process with the electrolysis-based Haber–Bosch process combined with the Ostwald process, in terms of the investment cost and energy consumption. This analysis shows that the energy consumption for NO<sub>X</sub>synthesis with plasma technology is almost competitive with the commercial process with its current best value of 2.4 MJ mol N<sup>−1</sup>, which is required to decrease further to about 0.7 MJ mol N<sup>−1</sup>in order to become fully competitive. This may be accomplished through further plasma reactor optimization and effective plasma–catalyst coupling.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 29.518
DOI: 10.1039/D0EE03763J
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“Ab-initio study of magnetically intercalated platinum diselenide : the impact of platinum vacancies”. Reyntjens PD, Tiwari S, van de Put ML, Sorée B, Vandenberghe WG, Materials 14, 4167 (2021). http://doi.org/10.3390/MA14154167
Abstract: We study the magnetic properties of platinum diselenide (PtSe2) intercalated with Ti, V, Cr, and Mn, using first-principle density functional theory (DFT) calculations and Monte Carlo (MC) simulations. First, we present the equilibrium position of intercalants in PtSe2 obtained from the DFT calculations. Next, we present the magnetic groundstates for each of the intercalants in PtSe2 along with their critical temperature. We show that Ti intercalants result in an in-plane AFM and out-of-plane FM groundstate, whereas Mn intercalant results in in-plane FM and out-of-plane AFM. V intercalants result in an FM groundstate both in the in-plane and the out-of-plane direction, whereas Cr results in an AFM groundstate both in the in-plane and the out-of-plane direction. We find a critical temperature of <0.01 K, 111 K, 133 K, and 68 K for Ti, V, Cr, and Mn intercalants at a 7.5% intercalation, respectively. In the presence of Pt vacancies, we obtain critical temperatures of 63 K, 32 K, 221 K, and 45 K for Ti, V, Cr, and Mn-intercalated PtSe2, respectively. We show that Pt vacancies can change the magnetic groundstate as well as the critical temperature of intercalated PtSe2, suggesting that the magnetic groundstate in intercalated PtSe2 can be controlled via defect engineering.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 2.654
DOI: 10.3390/MA14154167
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“Quantitatively linking morphology and optical response of individual silver nanohedra”. Wang Y, Sztranyovszky Z, Zilli A, Albrecht W, Bals S, Borri P, Langbein W, Nanoscale 14, 11028 (2022). http://doi.org/10.1039/D2NR02131E
Abstract: The optical response of metal nanoparticles is governed by plasmonic resonances, which are dictated by the particle morphology. A thorough understanding of the link between morphology and optical response requires quantitatively measuring optical and structural properties of the same particle. Here we present such a study, correlating electron tomography and optical micro-spectroscopy. The optical measurements determine the scattering and absorption cross-section spectra in absolute units, and electron tomography determines the 3D morphology. Numerical simulations of the spectra for the individual particle geometry, and the specific optical set-up used, allow for a quantitative comparison including the cross-section magnitude. Silver nanoparticles produced by photochemically driven colloidal synthesis, including decahedra, tetrahedra and bi-tetrahedra are investigated. A mismatch of measured and simulated spectra is found in some cases when assuming pure silver particles, which is explained by the presence of a few atomic layers of tarnish on the surface, not evident in electron tomography. The presented method tightens the link between particle morphology and optical response, supporting the predictive design of plasmonic nanomaterials.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 6.7
Times cited: 1
DOI: 10.1039/D2NR02131E
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“Arresting aqueous swelling of layered graphene-oxide membranes with H3O+ and OH- ions”. Gogoi A, Neyts EC, Milošević, MV, Peeters FM, ACS applied materials and interfaces 14, 34946 (2022). http://doi.org/10.1021/ACSAMI.2C05926
Abstract: Over the past decade, graphene oxide (GO) has emerged as a promising membrane material with superior separation performance and intriguing mechanical/chemical stability. However, its practical implementation remains very challenging primarily because of its undesirable swelling in an aqueous environment. Here, we demonstrated that dissociation of water molecules into H3O+ and OH- ions inside the interlayer gallery of a layered GO membrane can strongly affect its stability and performance. We reveal that H3O+ and OH- ions form clusters inside the GO laminates that impede the permeance of water and salt ions through the membrane. Dynamics of those clusters is sensitive to an external ac electric field, which can be used to tailor the membrane performance. The presence of H3O+ and OH- ions also leads to increased stability of the hydrogen bond (H-bond) network among the water molecules and the GO layers, which further reduces water permeance through the membrane, while crucially imparting stability to the layered GO membrane against undesirable swelling. KEYWORDS: layered graphene-oxide membrane, aqueous stability, H3O+ and OH- ions, external electric field, molecular dynamics
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 9.5
Times cited: 9
DOI: 10.1021/ACSAMI.2C05926
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“Enhancing superconductivity in MXenes through hydrogenation”. Bekaert J, Sevik C, Milošević, MV, Nanoscale 14, 9918 (2022). http://doi.org/10.1039/D2NR01939F
Abstract: Two-dimensional transition metal carbides and nitrides (MXenes) are an emerging class of atomically-thin superconductors, whose characteristics are highly prone to tailoring by surface functionalization. Here we explore the use of hydrogen adatoms to enhance phonon-mediated superconductivity in MXenes, based on first-principles calculations combined with Eliashberg theory. We first demonstrate the stability of three different structural models of hydrogenated Mo- and W-based MXenes. Particularly high critical temperatures of over 30 K are obtained for hydrogenated Mo2N and W2N. Several mechanisms responsible for the enhanced electron-phonon coupling are uncovered, namely (i) hydrogen-induced changes in the phonon spectrum of the host MXene, (ii) emerging hydrogen-based phonon modes, and (iii) charge transfer from hydrogen to the MXene layer, boosting the density of states at the Fermi level. Finally, we demonstrate that hydrogen adatoms are moreover able to induce superconductivity in MXenes that are not superconducting in pristine form, such as Nb2C.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 6.7
Times cited: 2
DOI: 10.1039/D2NR01939F
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“Evidence that supertriangles exist in nature from the vertical projections of Koelreuteria paniculata fruit”. Li Y, Quinn BK, Gielis J, Li Y, Shi P, Symmetry 14, 23 (2022). http://doi.org/10.3390/SYM14010023
Abstract: Many natural radial symmetrical shapes (e.g., sea stars) follow the Gielis equation (GE) or its twin equation (TGE). A supertriangle (three triangles arranged around a central polygon) represents such a shape, but no study has tested whether natural shapes can be represented as/are supertriangles or whether the GE or TGE can describe their shape. We collected 100 pieces of Koelreuteria paniculata fruit, which have a supertriangular shape, extracted the boundary coordinates for their vertical projections, and then fitted them with the GE and TGE. The adjusted root mean square errors (RMSEadj) of the two equations were always less than 0.08, and >70% were less than 0.05. For 57/100 fruit projections, the GE had a lower RMSEadj than the TGE, although overall differences in the goodness of fit were non-significant. However, the TGE produces more symmetrical shapes than the GE as the two parameters controlling the extent of symmetry in it are approximately equal. This work demonstrates that natural supertriangles exist, validates the use of the GE and TGE to model their shapes, and suggests that different complex radially symmetrical shapes can be generated by the same equation, implying that different types of biological symmetry may result from the same biophysical mechanisms.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 2.7
DOI: 10.3390/SYM14010023
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“Indentation of graphene nano-bubbles”. Faraji F, Neek-Amal M, Neyts EC, Peeters FM, Nanoscale 14, 5876 (2022). http://doi.org/10.1039/D2NR01207C
Abstract: Molecular dynamics simulations are used to investigate the effect of an AFM tip when indenting graphene nano bubbles filled by a noble gas (i.e. He, Ne and Ar) up to the breaking point. The failure points resemble those of viral shells as described by the Foppl-von Karman (FvK) dimensionless number defined in the context of elasticity theory of thin shells. At room temperature, He gas inside the bubbles is found to be in the liquid state while Ne and Ar atoms are in the solid state although the pressure inside the nano bubble is below the melting pressure of the bulk. The trapped gases are under higher hydrostatic pressure at low temperatures than at room temperature.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 6.7
Times cited: 2
DOI: 10.1039/D2NR01207C
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“Nanoscale phase separation in the oxide layer at GeTe (111) surfaces”. Frolov AS, Callaert C, Batuk M, Hadermann J, Volykhov AA, Sirotina AP, Amati M, Gregoratti L, Yashina LV, Nanoscale 14, 12918 (2022). http://doi.org/10.1039/D2NR02261C
Abstract: As a semiconductor ferroelectric, GeTe has become a focus of renewed attention due to the recent discovery of giant Rashba splitting. It already has a wide range of applications, from thermoelectricity to data storage. Its stability in ambient air, as well as the structure and properties of an oxide layer, define the processing media for device production and operation. Here, we studied a reaction between the GeTe (111) surface and molecular oxygen for crystals having solely inversion domains. We evaluated the reaction kinetics both ex situ and in situ using NAP XPS. The structure of the oxide layer is extensively discussed, where, according to HAADF-STEM and STEM-EDX, nanoscale phase separation of GeO2 and Te is observed, which is unusual for semiconductors. We believe that such behaviour is closely related to the ferroelectric properties and the domain structure of GeTe.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 6.7
DOI: 10.1039/D2NR02261C
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“Prediction of novel two-dimensional Dirac nodal line semimetals in Al₂B₂, and AlB₄, monolayers”. Abedi S, Sisakht ET, Hashemifar SJ, Cherati NG, Sarsari IA, Peeters FM, Nanoscale 14, 11270 (2022). http://doi.org/10.1039/D2NR00888B
Abstract: Topological semimetal phases in two-dimensional (2D) materials have gained widespread interest due to their potential applications in novel nanoscale devices. Despite the growing number of studies on 2D topological nodal lines (NLs), candidates with significant topological features that combine nontrivial topological semimetal phase with superconductivity are still rare. Herein, we predict Al2B2 and AlB4 monolayers as new 2D nonmagnetic Dirac nodal line semimetals with several novel features. Our extensive electronic structure calculations combined with analytical studies reveal that, in addition to multiple Dirac points, these 2D configurations host various highly dispersed NLs around the Fermi level, all of which are semimetal states protected by time-reversal and in-plane mirror symmetries. The most intriguing NL in Al2B2 encloses the K point and crosses the Fermi level, showing a considerable dispersion and thus providing a fresh playground to explore exotic properties in dispersive Dirac nodal lines. More strikingly, for the AlB4 monolayer, we provide the first evidence for a set of 2D nonmagnetic open type-II NLs coexisting with superconductivity at a rather high transition temperature. The coexistence of superconductivity and nontrivial band topology in AlB4 not only makes it a promising material to exhibit novel topological superconducting phases, but also a rather large energy dispersion of type-II nodal lines in this configuration may offer a platform for the realization of novel topological features in the 2D limit.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 6.7
Times cited: 5
DOI: 10.1039/D2NR00888B
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“Self-assembled epitaxial cathode-electrolyte nanocomposites for 3D microbatteries”. Cunha DM, Gauquelin N, Xia R, Verbeeck J, Huijben M, ACS applied materials and interfaces 14, 42208 (2022). http://doi.org/10.1021/ACSAMI.2C09474
Abstract: The downscaling of electronic devices requires rechargeable microbatteries with enhanced energy and power densities. Here, we evaluate self-assembled vertically aligned nano-composite (VAN) thin films as a platform to create high-performance three-dimensional (3D) microelectrodes. This study focuses on controlling the VAN formation to enable interface engineering between the LiMn2O4 cathode and the (Li,La)TiO3 solid electrolyte. Electrochemical analysis in a half cell against lithium metal showed the absence of sharp redox peaks due to the confinement in the electrode pillars at the nanoscale. The (100)-oriented VAN thin films showed better rate capability and stability during extensive cycling due to the better alignment to the Li-diffusion channels. However, an enhanced pseudocapacitive contribution was observed for the increased total surface area within the (110)-oriented VAN thin films. These results demonstrate for the first time the electrochemical behavior of cathode-electrolyte VANs for lithium-ion 3D microbatteries while pointing out the importance of control over the vertical interfaces.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 9.5
Times cited: 4
DOI: 10.1021/ACSAMI.2C09474
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“Waste-derived copper-lead electrocatalysts for CO₂, reduction”. Yang S, An H, Anastasiadou D, Xu W, Wu L, Wang H, de Ruiter J, Arnouts S, Figueiredo MC, Bals S, Altantzis T, van der Stam W, Weckhuysen BM, ChemCatChem 14, e202200754 (2022). http://doi.org/10.1002/CCTC.202200754
Abstract: It remains a real challenge to control the selectivity of the electrocatalytic CO2 reduction (eCO(2)R) reaction to valuable chemicals and fuels. Most of the electrocatalysts are made of non-renewable metal resources, which hampers their large-scale implementation. Here, we report the preparation of bimetallic copper-lead (CuPb) electrocatalysts from industrial metallurgical waste. The metal ions were extracted from the metallurgical waste through simple chemical treatment with ammonium chloride, and CuxPby electrocatalysts with tunable compositions were fabricated through electrodeposition at varying cathodic potentials. X-ray spectroscopy techniques showed that the pristine electrocatalysts consist of Cu-0, Cu1+ and Pb2+ domains, and no evidence for alloy formation was found. We found a volcano-shape relationship between eCO(2)R selectivity toward two electron products, such as CO, and the elemental ratio of Cu and Pb. A maximum Faradaic efficiency towards CO was found for Cu9.00Pb1.00, which was four times higher than that of pure Cu, under the same electrocatalytic conditions. In situ Raman spectroscopy revealed that the optimal amount of Pb effectively improved the reducibility of the pristine Cu1+ and Pb2+ domains to metallic Cu and Pb, which boosted the selectivity towards CO by synergistic effects. This work provides a framework of thinking to design and tune the selectivity of bimetallic electrocatalysts for CO2 reduction through valorization of metallurgical waste.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)
Impact Factor: 4.5
Times cited: 7
DOI: 10.1002/CCTC.202200754
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“Low-cost electron detector for scanning electron microscope”. Vlasov E, Denisov N, Verbeeck J, HardwareX 14, e00413 (2023). http://doi.org/10.1016/j.ohx.2023.e00413
Abstract: Electron microscopy is an indispensable tool for the characterization of (nano) materials. Electron microscopes are typically very expensive and their internal operation is often shielded from the user. This situation can provide fast and high quality results for researchers focusing on e.g. materials science if they have access to the relevant instruments. For researchers focusing on technique development, wishing to test novel setups, however, the high entry price can lead to risk aversion and deter researchers from innovating electron microscopy technology further. The closed attitude of commercial entities about how exactly the different parts of electron microscopes work, makes it even harder for newcomers in this field. Here we propose an affordable, easy-to-build electron detector for use in a scanning electron microscope (SEM). The aim of this project is to shed light on the functioning of such detectors as well as show that even a very modest design can lead to acceptable performance while providing high flexibility for experimentation and customization.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 1
DOI: 10.1016/j.ohx.2023.e00413
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“Effects of the numerical values of the parameters in the Gielis equation on its geometries”. Wang L, Ratkowsky DA, Gielis J, Ricci PE, Shi P, Symmetry 14, 2475 (2022). http://doi.org/10.3390/SYM14122475
Abstract: The Lamé curve is an extension of an ellipse, the latter being a special case. Dr. Johan Gielis further extended the Lamé curve in the polar coordinate system by introducing additional parameters (n1, n2, n3; m): rφ=1Acosm4φn2+1Bsinm4φn3−1/n1, which can be applied to model natural geometries. Here, r is the polar radius corresponding to the polar angle φ; A, B, n1, n2 and n3 are parameters to be estimated; m is the positive real number that determines the number of angles of the Gielis curve. Most prior studies on the Gielis equation focused mainly on its applications. However, the Gielis equation can also generate a large number of shapes that are rotationally symmetric and axisymmetric when A = B and n2 = n3, interrelated with the parameter m, with the parameters n1 and n2 determining the shapes of the curves. In this paper, we prove the relationship between m and the rotational symmetry and axial symmetry of the Gielis curve from a theoretical point of view with the condition A = B, n2 = n3. We also set n1 and n2 to take negative real numbers rather than only taking positive real numbers, then classify the curves based on extremal properties of r(φ) at φ = 0, π/m when n1 and n2 are in different intervals, and analyze how n1, n2 precisely affect the shapes of Gielis curves.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 2.7
DOI: 10.3390/SYM14122475
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“Benefit segmentation of tourists to geosites and its implications for sustainable development of geotourism in the Southern Lake Tana Region, Ethiopia”. Tessema GA, van der Borg J, Van Rompaey A, Van Passel S, Adgo E, Minale AS, Asrese K, Frankl A, Poesen J, Sustainability 14, 3411 (2022). http://doi.org/10.3390/SU14063411
Abstract: Geotourism is a sustainable type of tourism that focuses on the geological and geomorphological heritages of an area, and the associated cultural and biodiversity features. Though the popularity of geotourism is rapidly growing, research on the demand side, particularly on segmenting tourists to geosites and understanding their profiles, is limited. This obviously makes the designing of effective tourism policies that aim at developing geotourism sustainably very difficult. Hence, the main objectives of this study were to segment and profile tourists to geosites based on the benefits sought, and to show its implications for sustainable development of geotourism. With a survey of 415 tourists, this study clustered tourists to geosites in the southern Lake Tana region in Ethiopia based on the benefits sought. A factor-cluster method was applied to segment the tourists. The study identified four distinct segments: Activity-Nature Lovers, Culture Lovers, Nature-Culture Lovers, and Want-It-Alls. These segments differed in their demographic, trip, and behavioral characteristics. The findings implied that for sustainable development, destination managers and marketers need to customize their geotourism product development and marketing strategies based on the needs and characteristics of each market segment.
Keywords: A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
Impact Factor: 3.9
DOI: 10.3390/SU14063411
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“Five-year development plans of renewable energy policies in Iran : a content analysis”. Dehhaghi S, Choobchian S, Ghobadian B, Farhadian H, Viira A-H, Stefanie HI, Van Passel S, Azadi H, Sustainability 14, 1501 (2022). http://doi.org/10.3390/SU14031501
Abstract: Renewable energy (RE) policies can play an effective role in the development of renewable resources. The main goal of this paper was to conduct a content analysis on RE development policies in Iran's five-year National Development Plan (NDP) by investigating upstream national documents. To achieve the goal, 29 upstream documents related to RE were identified and analyzed through a systematic literature review. Then, a qualitative content analysis was applied to analyze the documents. The results showed that Iran's current RE policies need to be reviewed, reformed, and strengthened. For example, lack of sufficient attention to renewable heat and fuel was one of the deficiencies of RE policies in Iran's five-year NDP. The decentralization of policymaking in the unified organization was also one of the weaknesses in the policymaking process of the RE. Iran can develop sustainable and clean RE policies by using sources such as solar, wind, geothermal, hydropower, wave, and tidal power. The paper concludes that, although RE policies have the potential for development in Iran due to environmental, social, and economic advantages, they could face some infrastructural, managerial, socio-cultural, and economic challenges. Accordingly, effective and innovative policymaking is required to meet such challenges.
Keywords: A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
Impact Factor: 3.9
DOI: 10.3390/SU14031501
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“A covalently linked dyad based on zinc phthalocyanine and methylpheophorbide &alpha, : synthetic and physicochemical study”. Balashova IO, Tolbin AY, Tarakanov PA, Krot AR, Fedorova K V, Sergeeva IA, Trashin SA, De Wael K, Pushkarev VE, Koifman MO, Ponomarev G V, Macroheterocycles 14, 40 (2021). http://doi.org/10.6060/MHC210338P
Abstract: The first covalently linked conjugate of metal phthalocyaninate and chlorin e(6) derivative has been obtained by transesterification of alpha-ketomethyl ester in methylpheophorbide a with zinc(II) 2-(2-hydroxymethylbenzyloxy)-9(10),16(17),23(24)-tri-tert-butylphthalocyaninate under mild conditions. The dyad exhibits a panchromatic nature revealing both the phthalocyanine and pheophorbide derived bands in the UV-Vis absorption spectrum. The H-1 NMR spectroscopy data combined with theoretical calculations indicate the presence of spatial intramolecular interactions between the phthalocyanine, pheophorbide and spacer fragments of the dyad allowing to forecast its enhanced nonlinear optical properties, as well as the characteristic energy transfer from the excited pheophorbide subunit to the phthalocyanine core. Indeed, when excited in the UV-Vis range, the conjugate shows red fluorescence with the spectral maximum at 686 nm, which is close to the one of the initial zinc phthalocyaninate. Furthermore, the dyad effectively generates singlet oxygen and, in the presence of polyvinylpyrrolidone (PVP) as biocompatible solubilizer, forms stable micellar saline solutions with the particles ranged in size between 40 and 100 nm. These nanoparticles represent promising third-generation photosensitizing systems for application in theranostics.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.6060/MHC210338P
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“Conservation of stained glass windows with protective glazing : main results from the European VIDRIO research programme”. Bernardi A, Becherini F, Verità, M, Godoi RHM, Kontozova-Deutsch V, Van Grieken R, et al, Journal of cultural heritage 14, 527 (2013). http://doi.org/10.1016/J.CULHER.2012.11.009
Abstract: The methodology of protecting the European stained glass windows against environmental risk (e.g. meteorological factors, air pollution, microorganisms) by means of an external glazing is not new. In spite of many scientific studies carried out in the last 20 years, some questions were still up for discussion. The European VIDRIO (20022005) project gave an answer to these questions. The research carried out by the different project partners established a new multidisciplinary approach aimed at evaluating the efficiency of the protective glazing systems and their effects on stained glass windows conservation, and finally at assessing the most appropriate strategy to preserve stained glass windows. Scientific results showed that the so-called isothermal glazing (i.e. ventilation by the air coming from the inside of the building) protected efficiently the ancient stained glass window from environmental attack (i.e. rain, pollutants, condensation, thermal shocks) with very limited secondary effects. The scientific research highlighted that its efficiency was strongly related to the technical design of the protective system. In particular, the ventilation and the size of the interspace had to be carefully considered. The research developed within the VIDRIO project was turned into general recommendations to the owners and practitioners on the best practice for the stained glass windows future conservation.
Keywords: A1 Journal article; Art; History; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/J.CULHER.2012.11.009
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