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“From vortex molecules to the Abrikosov lattice in thin mesoscopic superconducting disks”. Cabral LRE, Baelus BJ, Peeters FM, Physical review : B : condensed matter and materials physics 70, 144523 (2004). http://doi.org/10.1103/PhysRevB.70.144523
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 71
DOI: 10.1103/PhysRevB.70.144523
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“Selective nickel-catalyzed conversion of model and lignin-derived phenolic compounds to cyclohexanone-based polymer building blocks”. Schutyser W, Van den Bosch S, Dijkmans J, Turner S, Meledina M, Van Tendeloo G, Debecker DP, Sels BF, Chemsuschem 8, 1805 (2015). http://doi.org/10.1002/cssc.201403375
Abstract: Valorization of lignin is essential for the economics of future lignocellulosic biorefineries. Lignin is converted into novel polymer building blocks through four steps: catalytic hydroprocessing of softwood to form 4-alkylguaiacols, their conversion into 4-alkylcyclohexanols, followed by dehydrogenation to form cyclohexanones, and Baeyer-Villiger oxidation to give caprolactones. The formation of alkylated cyclohexanols is one of the most difficult steps in the series. A liquid-phase process in the presence of nickel on CeO2 or ZrO2 catalysts is demonstrated herein to give the highest cyclohexanol yields. The catalytic reaction with 4-alkylguaiacols follows two parallel pathways with comparable rates: 1) ring hydrogenation with the formation of the corresponding alkylated 2-methoxycyclohexanol, and 2) demethoxylation to form 4-alkylphenol. Although subsequent phenol to cyclohexanol conversion is fast, the rate is limited for the removal of the methoxy group from 2-methoxycyclohexanol. Overall, this last reaction is the rate-limiting step and requires a sufficient temperature (> 250 degrees C) to overcome the energy barrier. Substrate reactivity (with respect to the type of alkyl chain) and details of the catalyst properties (nickel loading and nickel particle size) on the reaction rates are reported in detail for the Ni/CeO2 catalyst. The best Ni/CeO2 catalyst reaches 4-alkylcyclohexanol yields over 80 %, is even able to convert real softwood-derived guaiacol mixtures and can be reused in subsequent experiments. A proof of principle of the projected cascade conversion of lignocellulose feedstock entirely into caprolactone is demonstrated by using Cu/ZrO2 for the dehydrogenation step to produce the resultant cyclohexanones (approximate to 80%) and tin-containing beta zeolite to form 4-alkyl-e-caprolactones in high yields, according to a Baeyer-Villiger-type oxidation with H2O2.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 7.226
Times cited: 71
DOI: 10.1002/cssc.201403375
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“Shallow donor impurities in GaAs/AlxGa1-xAs superlattices in a magnetic-field”. Shi JM, Peeters FM, Devreese JT, Physical review : B : condensed matter and materials physics 50, 15182 (1994). http://doi.org/10.1103/PhysRevB.50.15182
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Impact Factor: 3.736
Times cited: 71
DOI: 10.1103/PhysRevB.50.15182
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“Composite super-moiré, lattices in double-aligned graphene heterostructures = Composite super-moire lattices in double-aligned graphene heterostructures”. Wang Z, Wang YB, Yin J, Tovari E, Yang Y, Lin L, Holwill M, Birkbeck J, Perello DJ, Xu S, Zultak J, Gorbachev RV, Kretinin AV, Taniguchi T, Watanabe K, Morozov SV, Andelkovic M, Milovanović, SP, Covaci L, Peeters FM, Mishchenko A, Geim AK, Novoselov KS, Fal'ko VI, Knothe A, Woods CR, Science Advances 5, eaay8897 (2019). http://doi.org/10.1126/SCIADV.AAY8897
Abstract: When two-dimensional (2D) atomic crystals are brought into close proximity to form a van der Waals heterostructure, neighbouring crystals may influence each other's properties. Of particular interest is when the two crystals closely match and a moire pattern forms, resulting in modified electronic and excitonic spectra, crystal reconstruction, and more. Thus, moire patterns are a viable tool for controlling the properties of 2D materials. However, the difference in periodicity of the two crystals limits the reconstruction and, thus, is a barrier to the low-energy regime. Here, we present a route to spectrum reconstruction at all energies. By using graphene which is aligned to two hexagonal boron nitride layers, one can make electrons scatter in the differential moire pattern which results in spectral changes at arbitrarily low energies. Further, we demonstrate that the strength of this potential relies crucially on the atomic reconstruction of graphene within the differential moire super cell.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Times cited: 71
DOI: 10.1126/SCIADV.AAY8897
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“Superconducting diode effect via conformal-mapped nanoholes”. Lyu Y-Y, Jiang J, Wang Y-L, Xiao Z-L, Dong S, Chen Q-H, Milošević, MV, Wang H, Divan R, Pearson JE, Wu P, Peeters FM, Kwok W-K, Nature Communications 12, 2703 (2021). http://doi.org/10.1038/S41467-021-23077-0
Abstract: A superconducting diode is an electronic device that conducts supercurrent and exhibits zero resistance primarily for one direction of applied current. Such a dissipationless diode is a desirable unit for constructing electronic circuits with ultralow power consumption. However, realizing a superconducting diode is fundamentally and technologically challenging, as it usually requires a material structure without a centre of inversion, which is scarce among superconducting materials. Here, we demonstrate a superconducting diode achieved in a conventional superconducting film patterned with a conformal array of nanoscale holes, which breaks the spatial inversion symmetry. We showcase the superconducting diode effect through switchable and reversible rectification signals, which can be three orders of magnitude larger than that from a flux-quantum diode. The introduction of conformal potential landscapes for creating a superconducting diode is thereby proven as a convenient, tunable, yet vastly advantageous tool for superconducting electronics. This could be readily applicable to any superconducting materials, including cuprates and iron-based superconductors that have higher transition temperatures and are desirable in device applications. A superconducting diode is dissipationless and desirable for electronic circuits with ultralow power consumption, yet it remains challenging to realize it. Here, the authors achieve a superconducting diode in a conventional superconducting film patterned with a conformal array of nanoscale holes.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 12.124
Times cited: 71
DOI: 10.1038/S41467-021-23077-0
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“Effect of isotropic versus anisotropic elasticity on the electronic structure of cylindrical InP/In0.49Ga0.51P self-assembled quantum dots”. Tadić, M, Peeters FM, Janssens KL, Physical review : B : condensed matter and materials physics 65, 165333 (2002). http://doi.org/10.1103/PhysRevB.65.165333
Abstract: The electronic structure of disk-shaped InP/InGaP self-assembled quantum dots is calculated within the effective-mass theory. The strain-dependent 6x6 multiband Hamiltonian for the valence band is simplified into an axially symmetric form. Both the continuum mechanical model, discretized by finite elements, and the isotropic model are used to calculate the strain distribution and their results are critically compared. The dependence of the electron and the hole energy levels on the dimensions of the quantum dot is investigated. We found that both the electron and hole energies are underestimated if the strain distribution is calculated by the isotropic elasticity theory. The agreement between the electron energies for the two approaches is better for thinner quantum dots. The heavy holes are confined inside the quantum dot, while the light holes are located outside the disk, but confined by the strain field near the edge of the disk periphery. We found that the (h) over bar /2 hole ground state crosses the 3 (h) over bar /2 ground state when the height of the quantum dot increases and becomes the ground state for sufficiently thick quantum disks. The higher hole levels exhibit both crossings between the states of the different parity and anticrossings between the states of the same parity.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 72
DOI: 10.1103/PhysRevB.65.165333
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“First-principles study of strained 2D MoS2”. Scalise E, Houssa M, Pourtois G, Afanas'ev VV, Stesmans A, Physica. E: Low-dimensional systems and nanostructures 56, 416 (2014). http://doi.org/10.1016/j.physe.2012.07.029
Abstract: The electronic and vibrational properties of 2D honeycomb structures of molybdenum disulfide (MoS2) subjected to strain have been investigated using first-principles calculations based on density functional theory. We have studied the evolution of the electronic properties of bulk and layered MoS2, going down from a few layers up to a mono-layer, and next investigated the effect of bi-axial strain on their electronic structure and vibrational frequencies. Both for tensile and compressive biaxial strains, the shrinking of the energy band-gap of MoS2 with increasing level of applied strain is observed and a transition limit of the system from semiconducting to metallic is predicted to occur for strains in the range of 8-10%. We also found a progressive downshift (upshift) of both the E-2g(1) and A(1g) Raman active modes with increasing level of applied tensile (compressive) strain. Interestingly, significant changes in the curvature of the conduction and valence band near their extrema upon the application of strain are also predicted, with correlated variations of the electron and hole effective masses. These changes present interesting possibilities for engineering the electronic properties of 2D structures of MoS2. (C) 2012 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.221
Times cited: 72
DOI: 10.1016/j.physe.2012.07.029
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“First-principles study of transition metal impurities in Si”. Zhang Z, Partoens B, Chang K, Peeters FM, Physical review : B : condensed matter and materials physics 77, 155201 (2008). http://doi.org/10.1103/PhysRevB.77.155201
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 72
DOI: 10.1103/PhysRevB.77.155201
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“Preventing the reconstruction of the polar discontinuity at oxide heterointerfaces”. Boschker H, Verbeeck J, Egoavil R, Bals S, Van Tendeloo G, Huijben M, Houwman EP, Koster G, Blank DHA, Rijnders G, Advanced functional materials 22, 2235 (2012). http://doi.org/10.1002/adfm.201102763
Abstract: Perovskite oxide heteroepitaxy receives much attention because of the possibility to combine the diverse functionalities of perovskite oxide building blocks. A general boundary condition for the epitaxy is the presence of polar discontinuities at heterointerfaces. These polar discontinuities result in reconstructions, often creating new functionalities at the interface. However, for a significant number of materials these reconstructions are unwanted as they alter the intrinsic materials properties at the interface. Therefore, a strategy to eliminate this reconstruction of the polar discontinuity at the interfaces is required. We show that the use of compositional interface engineering can prevent the reconstruction at the La0.67Sr0.33MnO3/SrTiO3 (LSMO/STO) interface. The polar discontinuity at this interface can be removed by the insertion of a single La0.33Sr0.67O layer, resulting in improved interface magnetization and electrical conductivity.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 12.124
Times cited: 72
DOI: 10.1002/adfm.201102763
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“Strain and band edges in single and coupled cylindrical InAs/GaAs and InP/InGaP self-assembled quantum dots”. Tadić, M, Peeters FM, Janssens KL, Korkusinski M, Hawrylak P, Journal of applied physics 92, 5819 (2002). http://doi.org/10.1063/1.1510167
Abstract: A comparative study is made of the strain distribution in cylindrical InAs/GaAs and InP/InGaP self-assembled quantum dots as obtained from isotropic elasticity theory, the anisotropic continuum mechanical model, and from atomistic calculations. For the isotropic case, the recently proposed approach [J. H. Davies, J. Appl. Phys. 84, 1358 (1998)] is used, while the finite-element method, the valence force field method, and Stillinger-Weber potentials are employed to calculate the strain in anisotropic structures. We found that all four methods result in strain distributions of similar shapes, but with notable quantitative differences inside the dot and near the disk-matrix boundary. The variations of the diagonal strains with the height of the quantum dot, with fixed radius, as calculated from all models, are almost linear. Furthermore, the energies of the band edges in the two types of quantum dots are extracted from the multiband effective-mass theory by inserting the strain distributions as obtained by the four models. We demonstrated that all strain models produce effective potentials for the heavy and light holes which agree very well inside the dot. A negligible anisotropy of all normal strains in the (x,y) plane is found, which, providing the axial symmetry of the kinetic part of the multiband effective-mass Hamiltonian, justifies the use of the axial approximation. Strain propagation along the vertical direction is also considered with the aim to study the influence of strain on the electron coupling in stacks of quantum dots. We found that the interaction between the strain fields of the individual quantum dots makes the effective quantum wells for the electrons in the conduction band shallower, thereby counteracting the quantum mechanical coupling. (C) 2002 American Institute of Physics.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.068
Times cited: 73
DOI: 10.1063/1.1510167
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“Tuning carrier confinement in the MoS2/WS2 lateral heterostructure”. Kang J, Sahin H, Peeters FM, The journal of physical chemistry: C : nanomaterials and interfaces 119, 9580 (2015). http://doi.org/10.1021/acs.jpcc.5b00814
Abstract: To determine and control the spatial confinement of charge carriers is of importance for nanoscale optoelectronic device applications. Using first-principles calculations, we investigate the tunability of band alignment and Charge localization in lateral and combined lateral vertical heterostructures of MoS2 and WS2. First, we Show that a type-II to type-I band alignment transition takes place when tensile strain is applied on the WS2 region. This band alignment transition is a result of the different response of the band edge states with strain and is caused by their different wave function characters. Then we show that the presence of the grain boundary introduces localized in-gap states. The boundary at the armchair interface significantly modifies the charge distribution of the valence band maximum (VBM) state, whereas in a heterostructure with tilt grain domains both conducation band maximum (CBM) and VBM are found to be localized around the grain boundary. We also found that the thickness of the constituents in a lateral heterostructure also determines how the electrons and holes are confined. Creating combined lateral vertical heterostructures of MOS2/WS2 provides another way cif tuning the charge confinement. These results provide possible ways to tune the carrier confinement in MoS2/WS2 heterostructures, which are interesting for its practical: applications in the future.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 4.536
Times cited: 73
DOI: 10.1021/acs.jpcc.5b00814
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“Demonstration of a 2 × 2 programmable phase plate for electrons”. Verbeeck J, Béché, A, Müller-Caspary K, Guzzinati G, Luong MA, Den Hertog M, Ultramicroscopy 190, 58 (2018). http://doi.org/10.1016/j.ultramic.2018.03.017
Abstract: First results on the experimental realisation of a 2 × 2 programmable phase plate for electrons are presented. The design consists of an array of electrostatic elements that influence the phase of electron waves passing through 4 separately controllable aperture holes. This functionality is demonstrated in a conventional transmission electron microscope operating at 300 kV and results are in very close agreement with theoretical predictions. The dynamic creation of a set of electron probes with different phase symmetry is demonstrated, thereby bringing adaptive optics in TEM one step closer to reality. The limitations of the current design and how to overcome these in the future are discussed. Simulations show how further evolved versions of the current proof of concept might open new and exciting application prospects for beam shaping and aberration correction.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.843
Times cited: 73
DOI: 10.1016/j.ultramic.2018.03.017
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“An electric field tunable energy band gap at silicene/(0001) ZnS interfaces”. Houssa M, van den Broek B, Scalise E, Pourtois G, Afanas'ev VV, Stesmans A, Physical chemistry, chemical physics 15, 3702 (2013). http://doi.org/10.1039/c3cp50391g
Abstract: The interaction of silicene, the silicon counterpart of graphene, with (0001) ZnS surfaces is investigated theoretically, using first-principles simulations. The charge transfer occurring at the silicene/(0001) ZnS interface leads to the opening of an indirect energy band gap of about 0.7 eV in silicene. Remarkably, the nature (indirect or direct) and magnitude of the energy band gap of silicene can be controlled by an external electric field: the energy gap is predicted to become direct for electric fields larger than about 0.5 V angstrom(-1), and the direct energy gap decreases approximately linearly with the applied electric field. The predicted electric field tunable energy band gap of the silicene/(0001) ZnS interface is very promising for its potential use in nanoelectronic devices.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.123
Times cited: 74
DOI: 10.1039/c3cp50391g
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“Bilayer graphene with single and multiple electrostatic barriers: band structure and transmission”. Barbier M, Vasilopoulos P, Peeters FM, Pereira JM, Physical review : B : solid state 79, 155402 (2009). http://doi.org/10.1103/PhysRevB.79.155402
Abstract: We evaluate the electronic transmission and conductance in bilayer graphene through a finite number of potential barriers. Further, we evaluate the dispersion relation in a bilayer graphene superlattice with a periodic potential applied to both layers. As a model we use the tight-binding Hamiltonian in the continuum approximation. For zero bias the dispersion relation shows a finite gap for carriers with zero momentum in the direction parallel to the barriers. This is in contrast to single-layer graphene where no such gap was found. A gap also appears for a finite bias. Numerical results for the energy spectrum, conductance, and the density of states are presented and contrasted with those pertaining to single-layer graphene.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 74
DOI: 10.1103/PhysRevB.79.155402
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“Fabry-Pérot resonances in graphene microstructures: influence of a magnetic field”. Masir MR, Vasilopoulos P, Peeters FM, Physical review : B : condensed matter and materials physics 82, 115417 (2010). http://doi.org/10.1103/PhysRevB.82.115417
Abstract: Fabry-Pérot resonances in the transmission through single and double, graphene-based barriers (of height V) and wells are investigated and their dependence on an applied perpendicular magnetic field. For rectangular barriers the conductance decreases with increasing magnetic field while the resonances weaken (become more pronounced) with increasing magnetic field for EF<V (EF>V). The position of the resonances exhibit a linear shift with magnetic field which move to lower (higher) energy for EF<V (EF>V). Compared to semielliptic- or Gaussian-shaped barriers they show a smaller number of resonances in the absence of a magnetic field and an overall lower conductance but the resonant structure is more pronounced. The conductance of asymmetric double barriers show two major regions of resonances while the symmetric ones show one, that of three asymmetric barriers three, and so on.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 74
DOI: 10.1103/PhysRevB.82.115417
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“Novel vortex generator and mode converter for electron beams”. Schattschneider P, Stoeger-Pollach M, Verbeeck J, Physical review letters 109, 084801 (2012). http://doi.org/10.1103/PhysRevLett.109.084801
Abstract: A mode converter for electron vortex beams is described. Numerical simulations, confirmed by experiment, show that the converter transforms a vortex beam with a topological charge m = +/- 1 into beams closely resembling Hermite-Gaussian HG(10) and HG(01) modes. The converter can be used as a mode discriminator or filter for electron vortex beams. Combining the converter with a phase plate turns a plane wave into modes with topological charge m = +/- 1. This combination serves as a generator of electron vortex beams of high brilliance.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 8.462
Times cited: 74
DOI: 10.1103/PhysRevLett.109.084801
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“Realization of free-standing silicene using bilayer graphene”. Neek-Amal M, Sadeghi A, Berdiyorov GR, Peeters FM, Applied physics letters 103, 261904 (2013). http://doi.org/10.1063/1.4852636
Abstract: The available synthesized silicene-like structures have been only realized on metallic substrates which are very different from the standalone buckled silicene, e. g., the Dirac cone of silicene is destroyed due to lattice distortion and the interaction with the substrate. Using graphene bilayer as a scaffold, a route is proposed to synthesize silicene with electronic properties decoupled from the substrate. The buckled hexagonal arrangement of silicene between the graphene layers is found to be very similar to the theoretically predicted standalone buckled silicene which is only very weakly van der Waals coupled to the graphene layers with a graphite-like interlayer distance of 3.42 angstrom and without any lattice distortion. We found that these stacked layers are stable well above room temperature. (C) 2013 AIP Publishing LLC.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.411
Times cited: 74
DOI: 10.1063/1.4852636
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“Interfacial oxidation and photoluminescence of InP-Based core/shell quantum dots”. Tessier MD, Baquero EA, Dupont D, Grigel V, Bladt E, Bals S, Coppel Y, Hens Z, Nayral C, Delpech F, Chemistry of materials 30, 6877 (2018). http://doi.org/10.1021/ACS.CHEMMATER.8B03117
Abstract: Indium phosphide colloidal quantum dots (QDs) are emerging as an efficient cadmium-free alternative for optoelectronic applications. Recently, syntheses based on easy-to-implement aminophosphine precursors have been developed. We show by solid-state nuclear magnetic resonance spectroscopy that this new approach allows oxide-free indium phosphide core or core/shell quantum dots to be made. Importantly, the oxide-free core/shell interface does not help in achieving higher luminescence efficiencies. We demonstrate that in the case of InP/ZnS and InP/ZnSe QDs, a more pronounced oxidation concurs with a higher photoluminescence efficiency. This study suggests that a II-VI shell on a III-V core generates an interface prone to defects. The most efficient InP/ZnS or InP/ZnSe QDs are therefore made with an oxide buffer layer between the core and the shell: it passivates these interface defects but also results in a somewhat broader emission line width.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 74
DOI: 10.1021/ACS.CHEMMATER.8B03117
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“A Facet-Specific Quantum Dot Passivation Strategy for Colloid Management and Efficient Infrared Photovoltaics”. Kim Y, Che F, Jo JW, Choi J, de Arquer FPG, Voznyy O, Sun B, Kim J, Choi M-J, Quintero-Bermudez R, Fan F, Tan CS, Bladt E, Walters G, Proppe AH, Zou C, Yuan H, Bals S, Hofkens J, Roeffaers MBJ, Hoogland S, Sargent EH, Advanced materials 31, 1805580 (2019). http://doi.org/10.1002/ADMA.201805580
Abstract: Colloidal nanocrystals combine size- and facet-dependent properties with solution processing. They offer thus a compelling suite of materials for technological applications. Their size- and facet-tunable features are studied in synthesis; however, to exploit their features in optoelectronic devices, it will be essential to translate control over size and facets from the colloid all the way to the film. Larger-diameter colloidal quantum dots (CQDs) offer the attractive possibility of harvesting infrared (IR) solar energy beyond absorption of silicon photovoltaics. These CQDs exhibit facets (nonpolar (100)) undisplayed in small-diameter CQDs; and the materials chemistry of smaller nanocrystals fails consequently to translate to materials for the short-wavelength IR regime. A new colloidal management strategy targeting the passivation of both (100) and (111) facets is demonstrated using distinct choices of cations and anions. The approach leads to narrow-bandgap CQDs with impressive colloidal stability and photoluminescence quantum yield. Photophysical studies confirm a reduction both in Stokes shift (approximate to 47 meV) and Urbach tail (approximate to 29 meV). This approach provides a approximate to 50% increase in the power conversion efficiency of IR photovoltaics compared to controls, and a approximate to 70% external quantum efficiency at their excitonic peak.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 19.791
Times cited: 74
DOI: 10.1002/ADMA.201805580
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“Synchrotron-based X-ray absorption spectroscopy for art conservation: looking back and looking forward”. Cotte M, Susini J, Dik J, Janssens K, Accounts of chemical research 43, 705 (2010). http://doi.org/10.1021/AR900199M
Abstract: A variety of analytical techniques augmented by the use of synchrotron radiation (SR), such as X-ray fluorescence (SR-XRF) and X-ray diffraction (SR-XRD), are now readily available, and they differ little, conceptually, from their common laboratory counterparts. Because of numerous advantages afforded by SR-based techniques over benchtop versions, however, SR methods have become popular with archaeologists, art historians, curators, and other researchers in the field of cultural heritage (CH). Although the CH community now commonly uses both SR-XRF and SR-XRD, the use of synchrotron-based X-ray absorption spectroscopy (SR-XAS) techniques remains marginal, mostly because CH specialists rarely interact with SR physicists. In this Account, we examine the basic principles and capabilities of XAS techniques in art preservation. XAS techniques offer a combination of features particularly well-suited for the chemical analysis of works of art. The methods are noninvasive, have low detection limits, afford high lateral resolution, and provide exceptional chemical sensitivity. These characteristics are highly desirable for the chemical characterization of precious, heterogeneous, and complex materials. In particular, the chemical mapping capability, with high spatial resolution that provides information about local composition and chemical states, even for trace elements, is a unique asset. The chemistry involved in both the objects history (that is, during fabrication) and future (that is, during preservation and restoration treatments) can be addressed by XAS. On the one hand, many studies seek to explain optical effects occurring in historical glasses or ceramics by probing the molecular environment of relevant chromophores. Hence, XAS can provide insight into craft skills that were mastered years, decades, or centuries ago but were lost over the course of time. On the other hand, XAS can also be used to characterize unwanted reactions, which are then considered alteration phenomena and can dramatically alter the objects original visual properties. In such cases, the bulk elemental composition is usually unchanged. Hence, monitoring oxidation state (or, more generally, other chemical modifications) can be of great importance. Recent applications of XAS in art conservation are reviewed and new trends are discussed, highlighting the value (and future possibilities) of XAS, which remains, given its potential, underutilized in the CH community.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 20.268
Times cited: 74
DOI: 10.1021/AR900199M
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“Au@MOF-5 and Au/Mox@MOF-5 (M = Zn, Ti, x = 1, 2) : preparation and microstructural characterisation”. Müller M, Turner S, Lebedev OI, Wang Y, Van Tendeloo G, Fischer RA, European journal of inorganic chemistry , 1876 (2011). http://doi.org/10.1002/ejic.201001297
Abstract: The Zn-carboxylate-based porous coordination polymer MOF-5 [Zn4O(bdc)3] and the metal oxide loaded materials ZnO@MOF-5 and TiO2@MOF-5 were loaded in a second step with the precursor [ClAuCO] to yield intermediate materials denoted as [ClAuCO]@MOF-5, [ClAuCO]/ZnO@MOF-5 and [ClAuCO]/TiO2@MOF-5. These composites were decomposed to Au@MOF-5, Au/ZnO@MOF-5 and Au/TiO2@MOF-5 under hydrogen at 100 °C. The nanoparticle-loaded hybrid materials were characterised by powder X-ray diffraction (PXRD), IR spectroscopy, X-ray photoelectron spectroscopy (XPS) and N2 sorption measurements, which reveal an intact MOF-5 structure that maintains a high specific surface area. For Au@MOF-5, crystalline Au nanoparticles were distributed over the MOF matrix in a homogeneous fashion with a size of ca. 13 nm, evidenced by high resolution transmission electron microscopy. In the case of Au/ZnO@MOF-5, the Au and metal oxide particles of a few nm in size were coexistent in a given volume of the MOF-5 matrix and were not separated in different crystalline MOF particles. For the TiO2 loaded materials the oxide is preferentially located near the outer surface of the MOF particles, leading to an increase of larger exterior Au particles in comparison to very small interior Au particles as observed for the other materials. Au@MOF-5, Au/ZnO@MOF-5 and Au/TiO2@MOF-5 were tested in liquid-phase oxidation of alcohols. Preliminary results show a high activity for the Au loaded materials in this reaction. This observation is attributed to the microstructure of the composites with very small Au particles distributed homogeneously over the MOF matrix.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.444
Times cited: 75
DOI: 10.1002/ejic.201001297
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“Kinematic vortex-antivortex lines in strongly driven superconducting stripes”. Berdiyorov GR, Milošević, MV, Peeters FM, Physical review : B : solid state 19, 184506 (2009). http://doi.org/10.1103/PhysRevB.79.184506
Abstract: In the framework of the time-dependent Ginzburg-Landau formalism, we study the resistive state of a submicron superconducting stripe in the presence of a longitudinal current. Sufficiently strong current leads to phase slippage between the leads, which is manifested as oppositely charged kinematic vortices moving in opposite directions perpendicular to applied drive. Depending on the distribution of superconducting current density the vortex-antivortex either nucleate in the middle of the stripe and are expelled laterally or enter on opposite sides of the sample and are driven together to annihilation. We distinguish between the two scenarios as a function of relevant parameters and show how the creation/annihilation point of the vortex-antivortex and their individual velocity can be manipulated by applied magnetic field and current.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 75
DOI: 10.1103/PhysRevB.79.184506
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“Monoclinic microdomains and clustering in the colossal magnetoresistance manganites Pr0.7Ca0.25Sr0.05MnO3 and Pr0.75Sr0.25MnO3”. Hervieu M, Van Tendeloo G, Caignaert V, Maignan A, Raveau B, Physical review : B : condensed matter and materials physics 53, 14274 (1996)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.736
Times cited: 75
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“Size mismatch : a crucial factor for generating a spin-glass insulator in manganites”. Maignan A, Martin C, Van Tendeloo G, Hervieu M, Raveau B, Physical review : B : condensed matter and materials physics 60, 15214 (1999). http://doi.org/10.1103/PhysRevB.60.15214
Abstract: Thr structural, electronic, and magnetic properties of the highly mismatched perovskite oxides, Th(0.35)A(0.65)MnO(3), where Ais for the alkaline earth divalent cations (Ca, Ba, Sr), which are all characterized by the same large tolerance factor (t=0.934), have been investigated by using electron microscopy, electrical resistivity, magnetic susceptibility, and magnetization. It is clearly established that a transition from ferromagnetic metallic towards spin-glass insulator samples is induced as the A-site cationic size mismatch is increased. Moreover, the magnetoresistance (MR) properties of these manganites are strongly reduced for the spin-glass insulators, demonstrating that the A-sire cationic disorder is detrimental for the colossal MR properties. Based on these results, a new electronic and magnetic diagram is established that shows that the A-site disorder, rather than the A-site average cationic size (or t) is the relevant factor for generating spin-glass insulating manganites. [S0163-1829(99)01746-4].
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 75
DOI: 10.1103/PhysRevB.60.15214
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“Two-band superconductors : hidden criticality deep in the superconducting state”. Komendová, L, Chen Y, Shanenko AA, Milošević, MV, Peeters FM, Physical review letters 108, 207002 (2012). http://doi.org/10.1103/PhysRevLett.108.207002
Abstract: We show that two-band superconductors harbor hidden criticality deep in the superconducting state, stemming from the critical temperature of the weaker band taken as an independent system. For sufficiently small interband coupling gamma the coherence length of the weaker band exhibits a remarkable deviation from the conventional monotonic increase with temperature, namely, a pronounced peak close to the hidden critical point. The magnitude of the peak scales as proportional to gamma(-mu), with the Landau critical exponent mu = 1/3, the same as found for the mean-field critical behavior with respect to the source field in ferromagnets and ferroelectrics. Here reported hidden criticality of multiband superconductors can be experimentally observed by, e.g., imaging of the variations of the vortex core in a broader temperature range. Similar effects are expected for the superconducting multilayers.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 8.462
Times cited: 75
DOI: 10.1103/PhysRevLett.108.207002
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“Galvanic Replacement Coupled to Seeded Growth as a Route for Shape-Controlled Synthesis of Plasmonic Nanorattles”. Polavarapu L, Zanaga D, Altantzis T, Rodal-Cedeira S, Pastoriza-Santos I, Pérez-Juste J, Bals S, Liz-Marzán LM, Journal of the American Chemical Society 138, 11453 (2016). http://doi.org/10.1021/jacs.6b06706
Abstract: Shape-controlled synthesis of metal nanoparticles (NPs) requires mechanistic understanding toward the development of modern nanoscience and nanotechnology. We demonstrate here an unconventional shape transformation of Au@Ag core−shell NPs (nanorods and nanocubes) into octahedral nanorattles via roomtemperature galvanic replacement coupled with seeded growth. The corresponding morphological and chemical transformations were investigated in three dimensions, using state-of-the-art X-ray energy-dispersive spectroscopy (XEDS) tomography. The addition of a reducing agent (ascorbic acid) plays a key role in this unconventional mechanistic path, in which galvanic replacement is found to dominate initially when the shell is made of Ag, while seeded growth suppresses transmetalation when a composition of Au:Ag (∼60:40) is reached in the shell, as revealed by quantitative XEDS tomography. This work not only opens new avenues toward the shape control of hollow NPs beyond the morphology of sacrificial templates, but also expands our understanding of chemical transformations in nanoscale galvanic replacement reactions. The XEDS electron tomography study presented here can be generally applied to investigate a wide range of nanoscale morphological and chemical transformations.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 13.858
Times cited: 75
DOI: 10.1021/jacs.6b06706
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“The Chemical Route to a Carbon Dioxide Neutral World”. Martens JA, Bogaerts A, De Kimpe N, Jacobs PA, Marin GB, Rabaey K, Saeys M, Verhelst S, Chemsuschem 10, 1039 (2017). http://doi.org/10.1002/cssc.201601051
Abstract: Excessive CO2 emissions in the atmosphere from anthropogenic activity can be divided into point sources and diffuse sources. The capture of CO2 from flue gases of large industrial installations and its conversion into fuels and chemicals with fast catalytic processes seems technically possible. Some emerging technologies are already being demonstrated on an industrial scale. Others are still being tested on a laboratory or pilot scale. These emerging chemical technologies can be implemented in a time window ranging from 5 to 20 years. The massive amounts of energy needed for capturing processes and the conversion of CO2 should come from low-carbon energy sources, such as tidal, geothermal, and nuclear energy, but also, mainly, from the sun. Synthetic methane gas that can be formed from CO2 and hydrogen gas is an attractive renewable energy carrier with an existing distribution system. Methanol offers advantages as a liquid fuel and is also a building block for the chemical industry. CO2 emissions from diffuse sources is a difficult problem to solve, particularly for CO2 emissions from road, water, and air transport, but steady progress in the development of technology for capturing CO2 from air is being made. It is impossible to ban carbon from the entire energy
supply of mankind with the current technological knowledge, but a transition to a mixed carbon–hydrogen economy can reduce net CO2 emissions and ultimately lead to a CO2-neutral world.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 7.226
Times cited: 75
DOI: 10.1002/cssc.201601051
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“A critical comparison of MINDO/3, MNDO, AM1 and PM3 for a model problem: carbon clusters C2-C10. An ad hoc reparametrization of MNDO well suited for the accurate prediction of their spectroscopic constants”. Martin JML, François JP, Gijbels R, Journal of computational chemistry 12, 52 (1991)
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.589
Times cited: 76
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“Impact of field-induced quantum confinement in tunneling field-effect devices”. Vandenberghe WG, Sorée B, Magnus W, Groeseneken G, Fischetti MV, Applied physics letters 98, 143503 (2011). http://doi.org/10.1063/1.3573812
Abstract: Being the working principle of a tunnel field-effect transistor, band-to-band tunneling is given a rigorous quantum mechanical treatment to incorporate confinement effects, multiple electron and hole valleys, and interactions with phonons. The model reveals that the strong band bending near the gate dielectric, required to create short tunnel paths, results in quantization of the energy bands. Comparison with semiclassical models reveals a big shift in the onset of tunneling. The effective mass difference of the distinct valleys is found to reduce the subthreshold swing steepness.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.411
Times cited: 76
DOI: 10.1063/1.3573812
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“Magnetic pinning of vortices in a superconducting film: the (anti)vortex-magnetic dipole interaction energy in the London approximation”. Milošević, MV, Yampolskii SV, Peeters FM, Physical review : B : condensed matter and materials physics 66, 174519 (2002). http://doi.org/10.1103/PhysRevB.66.174519
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 76
DOI: 10.1103/PhysRevB.66.174519
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