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“Crosslinking strategies for porous gelatin scaffolds”. Van Vlierberghe S, Journal of materials science 51, 4349 (2016). http://doi.org/10.1007/S10853-016-9747-4
Abstract: The present work reports on the application and the evaluation of a multitude of crosslinking approaches including high-energy irradiation, redox-initiating systems and conventional carbodiimide-coupling chemistry for frozen and/or freeze-dried porous gelatin scaffolds. The latter is particularly relevant for a plethora of biomedical applications such as tissue engineering supports, wound dressings, adhesive and absorbent pads for surgery, etc. Moreover, the results obtained for gelatin can be considered a proof-of-concept to be extrapolated to other polymer systems containing double bonds and/or amines and carboxylic acids to also realize scaffold crosslinking in dry or frozen state. The results showed that high-energy irradiation at -5 A degrees C enabled sufficient segmental mobility to induce chemical crosslinking after performing a cryogenic treatment of methacrylamide-modified gelatin scaffolds. Alternatively, although several redox-initiating systems were unable to chemically crosslink functionalized gelatin, the combination of ammonium persulphate and TEMED resulted in the formation of scaffolds with a reasonable gel fraction. Interestingly, carbodiimide-coupling was found suitable to crosslink freeze-dried gelatin matrices.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1007/S10853-016-9747-4
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“Composition and crystal structure of resorbable calcium phosphate thin films”. Tuck L, Sayer M, Mackenzie M, Hadermann J, Dunfield D, Pietak A, Reid JW, Stratilatov AD, Journal of materials science 41, 4273 (2006). http://doi.org/10.1007/s10853-005-5532-5
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.599
Times cited: 2
DOI: 10.1007/s10853-005-5532-5
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“Compositional characterization of nickel silicides by HAADF-STEM imaging”. Verleysen E, Bender H, Richard O, Schryvers D, Vandervorst W, Journal of materials science 46, 2001 (2011). http://doi.org/10.1007/s10853-010-5191-z
Abstract: A methodology for the quantitative compositional characterization of nickel silicides by high angle annular dark field scanning transmission electron microscopy (HAADF-STEM) imaging is presented. HAADF-STEM images of a set of nickel silicide reference samples Ni3Si, Ni31Si12, Ni2Si, NiSi and NiSi2 are taken at identical experimental conditions. The correlation between sample thickness and HAADF-STEM intensity is discussed. In order to quantify the relationship between the experimental Z-contrast intensities and the composition of the analysed layers, the ratio of the HAADF-STEM intensity to the sample thickness or to the intensity of the silicon substrate is determined for each nickel silicide reference sample. Diffraction contrast is still detected on the HAADF-STEM images, even though the detector is set at the largest possible detection angle. The influence on the quantification results of intensity fluctuations caused by diffraction contrast and channelling is examined. The methodology is applied to FUSI gate devices and to horizontal TFET devices with different nickel silicides formed on source, gate and drain. It is shown that, if the elements which are present are known, this methodology allows a fast quantitative 2-dimensional compositional analysis.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.599
Times cited: 1
DOI: 10.1007/s10853-010-5191-z
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“Hydrothermal processing of barium strontium titanate sol-gel composite thin films”. Zelonka K, Sayer M, Freundorfer AP, Hadermann J, Journal of materials science 41, 3885 (2006). http://doi.org/10.1007/s10853-005-5525-4
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.599
Times cited: 10
DOI: 10.1007/s10853-005-5525-4
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“Multiple-step martensitic transformations in the Ni51Ti49 single crystal”. Khalil-Allafi J, Amin-Ahmadi B, Journal of materials science 45, 6440 (2010). http://doi.org/10.1007/s10853-010-4729-4
Abstract: Multiple-step martensitic transformations of an aged Ni51Ti49 single crystal using calorimetric method were investigated. Results show that for short aging times (1045 min) multiple-step martensitic transformations on cooling occur in two steps. Applying intermediate aging times (1.254 h) results in three steps and long aging times (more than 8 h) lead to two-step martensitic transformations again. This behavior has not been recognized in NiTi single crystals in literatures. It can be related to the heterogeneity of composition and stress fields around Ni4Ti3 precipitates.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.599
Times cited: 5
DOI: 10.1007/s10853-010-4729-4
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“Multiwalled carbon nanotubes functionalized with 7-octenyltrichlorosilane and n-octyltrichlorosilane: dispersion in Sylgard®184 silicone and Youngs modulus”. Vast L, Carpentier L, Lallemand F, Colomer J-F, Van Tendeloo G, Fonseca A, Nagy JB, Mekhalif Z, Delhalle J, Journal of materials science 44, 3476 (2009). http://doi.org/10.1007/s10853-009-3464-1
Abstract: Sylgard®184/multiwalled carbon nanotube (MWNT) composites have been prepared by in situ polymerization using purified and functionalized multiwalled carbon nanotubes (f-MWNTs) as fillers. Surface modification of the MWNTs has been carried out by silanization with 7-octenyltrichlorosilane (7OTCS) and n-octyltrichlorosilane (nOTCS). The modification and dispersion of the carbon nanotubes in composites were characterized by X-ray photoelectron spectroscopy (XPS), transmission electron spectroscopy (TEM), and high-resolution transmission electron spectroscopy (HRTEM). Youngs modulus results were derived from indentation testing. It is shown that the terminal-vinyl group of 7OTCS molecules plays an essential role for both the dispersion of the f-MWNTs in the composite and its mechanical properties. At loading as low as 0.2 wt%, the Youngs modulus is shown to increase up to 50%. This is interpreted as resulting from a combination of the good compatibility in the forming silicone matrix of the MWNTs coated with a siloxane network, on the one hand, and the covalent links created between the terminal-vinyl groups and the host matrix in formation, on the other hand.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.599
Times cited: 16
DOI: 10.1007/s10853-009-3464-1
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“Analytic treatment of vortex states in cylindrical superconductors in applied axial magnetic field”. Ludu A, Van Deun J, Milošević, MV, Cuyt A, Peeters FM, Journal of mathematical physics 51, 082903 (2010). http://doi.org/10.1063/1.3470767
Abstract: We solve the linear GinzburgLandau (GL) equation in the presence of a uniform magnetic field with cylindrical symmetry and we find analytic expressions for the eigenfunctions in terms of the confluent hypergeometric functions. The discrete spectrum results from an implicit equation associated to the boundary conditions and it is resolved in analytic form using the continued fractions formalism. We study the dependence of the spectrum and the eigenfunctions on the sample size and the surface conditions for solid and hollow cylindrical superconductors. Finally, the solutions of the nonlinear GL formalism are constructed as expansions in the linear GL eigenfunction basis and selected by minimization of the free energy. We present examples of vortex states and their energies for different samples in enhancing/suppressing superconductivity surroundings.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.077
Times cited: 10
DOI: 10.1063/1.3470767
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“Surface barrier for flux entry and exit in mesoscopic superconducting systems”. Berdiyorov GR, Cabral LRE, Peeters FM, Journal of mathematical physics 46, 095105 (2005). http://doi.org/10.1063/1.2010351
Abstract: The energy barrier which has to be overcome for a single vortex to enter or exit the sample is studied for thin superconducting disks, rings, and squares using the nonlinear Ginzburg-Landau theory. The shape and the height of the nucleation barrier is investigated for different sample radii and thicknesses and for different values of the Ginzburg-Landau parameter kappa. It is shown that the London theory considerably overestimates (underestimates) the energy barrier for vortex expulsion (penetration). (c) 2005 American Institute of Physics.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.077
Times cited: 18
DOI: 10.1063/1.2010351
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“Numerical solution of the time dependent Ginzburg-Landau equations for mixed (d plus s)-wave superconductors”. Goncalves WC, Sardella E, Becerra VF, Milošević, MV, Peeters FM, Journal of mathematical physics 55, 041501 (2014). http://doi.org/10.1063/1.4870874
Abstract: The time-dependent Ginzburg-Landau formalism for (d + s)-wave superconductors and their representation using auxiliary fields is investigated. By using the link variable method, we then develop suitable discretization of these equations. Numerical simulations are carried out for a mesoscopic superconductor in a homogeneous perpendicular magnetic field which revealed peculiar vortex states. (C) 2014 AIP Publishing LLC.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.077
Times cited: 6
DOI: 10.1063/1.4870874
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“Evaluation of characterization methods for thin sections of silver halide microcrystals by analytical electron microscopy”. Gregory C, Gijbels R, Jacob W, Geuens I, van Roost C, de Keyzer R, Journal of microscopy 188, 79 (1997)
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.692
Times cited: 6
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“TEM and AES investigations of the natural surface nano-oxide layer of an AISI 316L stainless steel microfibre”. Ramachandran D, Egoavil R, Crabbe A, Hauffman T, Abakumov A, Verbeeck J, Vandendael I, Terryn H, Schryvers D, Journal of microscopy 264, 207 (2016). http://doi.org/10.1111/jmi.12434
Abstract: The chemical composition, nanostructure and electronic structure of nanosized oxide scales naturally formed on the surface of AISI 316L stainless steel microfibres used for strengthening of composite materials have been characterised using a combination of scanning and transmission electron microscopy with energy-dispersive X-ray, electron energy loss and Auger spectroscopy. The analysis reveals the presence of three sublayers within the total surface oxide scale of 5.0-6.7 nm thick: an outer oxide layer rich in a mixture of FeO.Fe2 O3 , an intermediate layer rich in Cr2 O3 with a mixture of FeO.Fe2 O3 and an inner oxide layer rich in nickel.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.692
Times cited: 12
DOI: 10.1111/jmi.12434
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“Internal architecture of coffin-shaped ZSM-5 zeolite crystals with hourglass contrast unravelled by focused ion beam-assisted transmission electron microscopy: INTERNAL ARCHITECTURE OF COFFIN-SHAPED”. Lu J, Bartholomeeusen E, Sels BF, Schryvers D, Journal of microscopy 265, 27 (2017). http://doi.org/10.1111/jmi.12459
Abstract: Optical microscopy, focused ion beam and transmission electron microscopy are combined to study the internal architecture in a coffin-shaped ZSM-5 crystal showing an hourglass contrast in optical microscopy. Based on parallel lamellas from different positions in the crystal, the orientation relationships between the intergrowth components of the crystal are studied and the internal architecture and growth mechanism are illustrated. The crystal is found to contain two pyramid-like components aside from a central component. Both pyramid-like components are rotated by 90 degrees along the common c-axis and with respect to the central component while the interfaces between the components show local zig-zag feature, the latter indicating variations in relative growth velocity of the two components. The pyramid-like intergrowth components are larger and come closer to one another in the middle of the crystal than at the edges, but they do not connect. A model of multisite nucleation and growth of 90 degrees intergrowth components is proposed.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.692
Times cited: 4
DOI: 10.1111/jmi.12459
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“Structural characterization of SnS crystals formed by chemical vapour deposition”. Mehta AN, Zhang H, Dabral A, Richard O, Favia P, Bender H, Delabie A, Caymax M, Houssa M, Pourtois G, Vandervorst W, Journal of microscopy
T2 –, 20th International Conference on Microscopy of Semiconducting Materials, (MSM), APR 09-13, 2017, Univ Oxford, Univ Oxford, Oxford, ENGLAND 268, 276 (2017). http://doi.org/10.1111/JMI.12652
Abstract: <script type='text/javascript'>document.write(unpmarked('The crystal and defect structure of SnS crystals grown using chemical vapour deposition for application in electronic devices are investigated. The structural analysis shows the presence of two distinct crystal morphologies, that is thin flakes with lateral sizes up to 50 m and nanometer scale thickness, and much thicker but smaller crystallites. Both show similar Raman response associated with SnS. The structural analysis with transmission electron microscopy shows that the flakes are single crystals of -SnS with [010] normal to the substrate. Parallel with the surface of the flakes, lamellae with varying thickness of a new SnS phase are observed. High-resolution transmission electron microscopy (TEM), scanning transmission electron microscopy (STEM), first-principles simulations (DFT) and nanobeam diffraction (NBD) techniques are employed to characterise this phase in detail. DFT results suggest that the phase is a strain stabilised \u0027 one grown epitaxially on the -SnS crystals. TEM analysis shows that the crystallites are also -SnS with generally the [010] direction orthogonal to the substrate. Contrary to the flakes the crystallites consist of two to four grains which are tilted up to 15 degrees relative to the substrate. The various grain boundary structures and twin relations are discussed. Under high-dose electron irradiation, the SnS structure is reduced and -Sn formed. It is shown that this damage only occurs for SnS in direct contact with SiO2. Lay description SnS is a p-type semiconductor, which has attracted significant interest for electronic devices due to its unique properties, low-toxicity and abundance of Sn in nature. Although in the past it has been most extensively studied as the absorber material in solar cells, it has recently garnered interest for application as a p-type two-dimensional semiconductor in nanoelectronic devices due to its anisotropic layered structure similar to the better known phosphorene. Tin sulphide can take the form of several phases and the electronic properties of the material depend strongly on its crystal structure. It is therefore crucial to study the crystal structure of the material in order to predict the electronic properties and gain insight into the growth mechanism. In this work, SnS crystals deposited using a chemical vapour deposition technique are investigated extensively for their crystal and defect structure using transmission electron microscopy (TEM) and related techniques. We find the presence of two distinct crystal morphologies, that is thin flakes with lateral sizes up to 50 m and nm scale thickness, and much thicker but smaller crystallites. The flakes are single crystals of -SnS and contain lamellae with varying thickness of a different phase which appear to be -SnS at first glance. High-resolution scanning transmission electron microscopy is used to characterise these lamellae where the annular bright field (ABF) mode better reveals the position of the sulphur columns. The sulphur columns in the lamellae are found to be shifted relative to the -SnS structure which indicates the formation of a new phase which is a distorted version of the phase which we tentatively refer to as \u0027-SnS. Simulations based on density functional theory (DFT) are used to model the interface and a similar shift of sulphur columns in the -SnS layer is observed which takes place as a result of strong interaction at the interface between the two phases resulting in strain transfer. Nanobeam electron diffraction (NBD) is used to map the lattice mismatch in the thickness of the flakes which reveals good in-plane matching and some expansion out-of-plane in the lamellae. Contrary to the flakes the crystallites are made solely of -SnS and consist of two to four grains which are tilted up to 15 degrees relative to the substrate. The various grain boundary structures and twin relations are discussed. At high electron doses, SnS is reduced to -Sn, however the damage occurs only for SnS in direct contact with SiO2.'));
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.692
Times cited: 2
DOI: 10.1111/JMI.12652
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“ALPHABETA: a dedicated open-source tool for calculating TEM stage tilt angles”. Cautaerts N, Delville R, Schryvers D, Journal of microscopy 273, 189 (2019). http://doi.org/10.1111/jmi.12774
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.692
Times cited: 2
DOI: 10.1111/jmi.12774
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“Analysis of 3D elemental distribution in nanomaterials : towards higher throughput and dose efficiency”. Skorikov A, Batenburg KJ, Bals S, Journal of microscopy 289, 157 (2023). http://doi.org/10.1111/JMI.13167
Abstract: Many advanced nanomaterials rely on carefully designed morphology and elemental distribution to achieve their functionalities. Among the few experimental techniques that can directly visualise the 3D elemental distribution on the nanoscale are approaches based on electron tomography in combination with energy-dispersive X-ray spectroscopy (EDXS) and electron energy loss spectroscopy (EELS). Unfortunately, these highly informative methods are severely limited by the fundamentally low signal-to-noise ratio, which makes long experimental times and high electron irradiation doses necessary to obtain reliable 3D reconstructions. Addressing these limitations has been the major research question for the development of these techniques in recent years. This short review outlines the latest progress on the methods to reduce experimental time and electron irradiation dose requirements for 3D elemental distribution analysis and gives an outlook on the development of this field in the near future.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2
Times cited: 2
DOI: 10.1111/JMI.13167
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“Characterization of nickel silicides using EELS-based methods”. Verleysen E, Bender H, Richard O, Schryvers D, Vandervorst W, Journal of microscopy 240, 75 (2010). http://doi.org/10.1111/j.1365-2818.2010.03391.x
Abstract: The characterization of Ni-silicides using electron energy loss spectroscopy (EELS) based methods is discussed. A series of Ni-silicide phases is examined: Ni3Si, Ni31Si12, Ni2Si, NiSi and NiSi2. The composition of these phases is determined by quantitative core-loss EELS. A study of the low loss part of the EELS spectrum shows that both the energy and the shape of the plasmon peak are characteristic for each phase. Examination of the Ni-L edge energy loss near edge structure (ELNES) shows that the ratio and the sum of the L2 and L3 white line intensities are also characteristic for each phase. The sum of the white line intensities is used to determine the trend in electron occupation of the 3d states of the phases. The dependence of the plasmon energy on the electron occupation of the 3d states is demonstrated.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.692
Times cited: 11
DOI: 10.1111/j.1365-2818.2010.03391.x
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“Demonstration of lanthanum in liver cells by energy-dispersive X-ray spectroscopy, electron energy loss spectroscopy and high-resolution transmission electron microscopy”. Yang Z, Schryvers D, Roels F, d' Haese PC, de Broe ME, Journal of microscopy 223, 133 (2006). http://doi.org/10.1111/j.1365-2818.2006.01601.x
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Pathophysiology
Impact Factor: 1.692
Times cited: 29
DOI: 10.1111/j.1365-2818.2006.01601.x
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“Energy-filtering TEM and electron energy-loss spectroscopy of double structure tabular microcrystals of silver halide emulsions”. Oleshko V, Gijbels R, Jacob W, Journal of microscopy 183, 27 (1996). http://doi.org/10.1046/j.1365-2818.1996.73068.x
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.331
Times cited: 8
DOI: 10.1046/j.1365-2818.1996.73068.x
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“Optimization of a FIB/SEM slice-and-view study of the 3D distribution of Ni4Ti3 precipitates in NiTi”. Cao S, Tirry W, van den Broek W, Schryvers D, Journal of microscopy 233, 61 (2009). http://doi.org/10.1111/j.1365-2818.2008.03095.x
Abstract: The 3D morphology and distribution of lenticular Ni4Ti3 precipitates in the austenitic B2 matrix of a binary Ni51Ti49 alloy has been investigated by a slice-and-view procedure in a dual-beam focused ion beam/scanning electron microscope system. Due to the weak contrast of the precipitates, proper imaging conditions need to be selected first to allow for semi-automated image treatment. Knowledgeable imaging is further needed to ensure that all variants of the precipitates are observed with equal probability, regardless of sample orientation. Finally, a volume ratio of 10.2% for the Ni4Ti3 precipitates could be calculated, summed over all variants, which yields a net composition of Ni50.27Ti49.73 for the matrix, leading to an increase of 125 degrees for the martensitic start temperature. Also, the expected relative orientation of the different variants of the precipitates could be confirmed.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 1.692
Times cited: 22
DOI: 10.1111/j.1365-2818.2008.03095.x
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“Redeposition and differential sputtering of La in transmission electron microscopy samples of LaAIO3/SrTiO3 multilayers prepared by focused ion beam”. Montoya E, Bals S, Van Tendeloo G, Journal of microscopy 231, 359 (2008). http://doi.org/10.1111/j.1365-2818.2008.02055.x
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.692
DOI: 10.1111/j.1365-2818.2008.02055.x
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“Study of changes in L32 EELS ionisation edges upon formation of Ni-based intermetallic compounds”. Potapov PL, Kulkova SE, Schryvers D, Journal of microscopy 210, 102 (2003). http://doi.org/10.1046/j.1365-2818.2003.01176.x
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.692
Times cited: 11
DOI: 10.1046/j.1365-2818.2003.01176.x
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“The anharmonic force field of thioformaldehyde, H2CS”. Martin JML, François JP, Gijbels R, Journal of molecular spectroscopy 168, 363 (1994)
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.482
Times cited: 18
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“Accurate ab initio quartic force fields for the sulfur compounds H2S, CS2, OCS and CS”. Martin JML, François JP, Gijbels R, Journal of molecular spectroscopy 169, 445 (1995). http://doi.org/10.1006/jmsp.1995.1037
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.482
Times cited: 37
DOI: 10.1006/jmsp.1995.1037
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“The anharmonic-force field of thioformaldehyde, h2cs, by ab-initio methods”. Martin JML, Francois, Gijbels R, Journal of molecular spectroscopy 168, 363 (1994). http://doi.org/10.1006/jmsp.1994.1285
Abstract: The quartic force field of thioformaldehyde has been calculated ab initio using large basis sets and augmented coupled cluster methods. Calculated fundamentals are in excellent agreement with experiment, as is the most important Coriolis coupling constant. Computed values for the anharmonicity, rovibrational coupling, and centrifugal distortion constants of the four isotopomers (H2CS)-S-32, (H2CS)-S-34, (HDCS)-S-32, and (D2CS)-S-32 have been reported. Predictions have been made for all vibrational transitions from the ground state to excited states with at most two quanta for these isotopomers, both using second-order perturbation theory corrected for Darling-Dennison resonance and using vibrational SCF-CI calculations. For (D2CS)-S-32, perturbation theory performs quite well; for the other isotopomers, performance is poorer for states involving excitation of the out-of-plane bend and, for the (H2CS)-S-32 and (H2CS)-S-34 isotopomers, also for the antisymmetric bend that is in severe Coriolis resonance with it. A possible explanation has been suggested. (C) 1994 Academic Press, Inc.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.482
Times cited: 18
DOI: 10.1006/jmsp.1994.1285
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“Structures and spectroscopic properties of sulfur-nitrogen-pnictogen chains : R2P-N=S=N-PR2 and R2P-N=S=N-AsR2”. Bal KM, Cautereels J, Blockhuys F, Journal of molecular structure 1132, 102 (2017). http://doi.org/10.1016/J.MOLSTRUC.2016.08.008
Abstract: The conformational and configurational preferences of Me2PNSNPMe2 (3) and Me2PNSNAsMe2 (4) have been identified using quantum chemical calculations at the DFT/B3LYP/6-311+G* level of theory. An approach in which energetic, structural (geometries and bond orders), electronic (analysis of the electron density) and spectroscopic properties are combined leads to the conclusion that these sulfur-nitrogen-pnictogen chains share many of the properties of their chalcogen-nitrogen analogues but that the through-space intramolecular interactions favouring the Z,Z configuration are even weaker than in these latter compounds. The results of this analysis also lead to an unambiguous assignment of the variable-temperature 31P and 15N NMR spectra of these compounds and their structures both in solution and in the solid state.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.753
DOI: 10.1016/J.MOLSTRUC.2016.08.008
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“Crystal structure, vibrational, electrical, optical and DFT study of C₂H₁0N₂(IO₃)₂.HIO₃”. Ben Abdallah MA, Bacchi A, Parisini A, Canossa S, Bergamonti L, Balestri D, Kamoun S, Journal Of Molecular Structure 1215, 128254 (2020). http://doi.org/10.1016/J.MOLSTRUC.2020.128254
Abstract: The reinvestigation of the EDA-HIO3-H2O system using a different stoichiometric ratio gives rise to a new iodate salt C2H10N2(IO3)(2 center dot)HIO3 denoted as EBIMIA. In this study, we reported the structural properties of ethylenediammonium bis iodate mono iodic acid using X-ray powder and single crystal diffraction at room temperature. The Hirshfeld and the potential energy surface analysis reveal that I center dot center dot center dot O and N-H center dot center dot center dot O are the most noticeable interactions that took place inside the crystal and contribute to the cohesion and stability of the synthesized compound. The DSC measurement shows that this iodate salt undergoes two structural phase transitions, the first occurs at T = 290 K while the second occurs at T = 363 K. However, the dielectric analysis confirms only the second transition because it lies in the studied temperature domain 338-413K. Besides, the impedance data obey a circuit model consisting of a parallel combination of a bulk resistance and CPE. The frequency dispersion of the conductivity follows Jonscher's law and the charge carrier transport may be interpreted using the correlation barrier hopping mechanism (CBH). Finally, the electronic properties and the vibrational analysis of this novel iodate salt are studied using DFT and compared to the experimental data given by the FT-IR, Raman and UV-visible spectroscopies. (C) 2020 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.8
DOI: 10.1016/J.MOLSTRUC.2020.128254
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“New insight into UO2F2 particulate structure by micro-Raman spectroscopy”. Stefaniak EA, Darchuk L, Sapundjiev D, Kips R, Aregbe Y, Van Grieken R, Journal of molecular structure 1040, 206 (2013). http://doi.org/10.1016/J.MOLSTRUC.2013.02.012
Abstract: Uranyl fluoride particles produced via hydrolysis of uranium hexafluoride have been deposited on different substrates: polished graphite disks, silver foil, stainless steel and gold-coated silicon wafer, and measured with micro-Raman spectroscopy (MRS). All three metallic substrates enhanced the Raman signal delivered by UO2F2 in comparison to graphite. The fundamental stretching of the UO band appeared at 867 cm−1 in case of the graphite substrate, while in case of the others it was shifted to lower frequencies (down to 839 cm−1). All applied metallic substrates showed the expected effect of Raman signal enhancement; however the gold layer appeared to be most effective. Application of new substrates provides more information on the molecular structure of uranyl fluoride precipitation, which is interesting for nuclear safeguards and nuclear environmental analysis.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/J.MOLSTRUC.2013.02.012
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“The impact of quantum chemical methods on the interpretation of molecular spectra of carbon clusters (review article)”. Martin JML, François JP, Gijbels R, Journal of molecular structure 294, 21 (1993). http://doi.org/10.1016/0022-2860(93)80305-F
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.602
Times cited: 21
DOI: 10.1016/0022-2860(93)80305-F
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“C-H\cdots X (X = S, P) hydrogen bonding : the complexes of halothane with dimethyl sulfide and trimethylphosphine”. Michielsen B, Verlackt C, van der Veken BJ, Herrebout WA, Journal Of Molecular Structure 1023, 90 (2012). http://doi.org/10.1016/j.molstruc.2012.02.063
Abstract: The formation of CH⋯S and CH⋯P hydrogen bonded complexes of halothane, CHBrClCF3, with dimethyl sulfide(-d6) and trimethylphosphine(-d9) have been studied in solutions of liquid krypton using infrared and Raman spectroscopy. In the 1:1 complexes, the halothane CH stretching mode is found to be red-shifted by 43 cm−1 in the dimethyl sulfide complex, and by 63 cm−1 in the trimethylphosphine complex. The complexation enthalpies were derived and amount to −10.7(2) and −11.2(2) kJ mol−1 for the respective complexes. The experiments were supported by ab initio calculations and Monte Carlo simulations. The obtained data for the CH⋯S and CH⋯P hydrogen bonds is compared to that of corresponding CH⋯O and CH⋯N hydrogen bonds.
Keywords: A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Impact Factor: 1.753
Times cited: 21
DOI: 10.1016/j.molstruc.2012.02.063
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“Laminated altered layers in historical glass : density variations of silica nanoparticle random packings as explanation for the observed lamellae”. Schalm O, Anaf W, Journal of non-crystalline solids 442, 1 (2016). http://doi.org/10.1016/J.JNONCRYSOL.2016.03.019
Abstract: One of the most striking but unexplained phenomena in the natural degradation of glass is the transformation of an almost colorless, transparent and homogeneous glass into a colored, opaque and heterogeneous degradation layer. In many cases, the degradation layer consists of numerous lamellae with a thickness between 0.1 and 10 pm. However, both internal structure and formation proess of laminated degradation layers remain unclear. In this paper, a model is proposed where we assume that transformed (degraded) glass consists of a random packing of nano-sized silica particles while the lamellae are the result of different packing densities. The model is able to connect the texture of numerous lamellae observed by several types of microscopic techniques with the structure at molecular level determined by means of chemical analysis. In addition, the model is able to explain numerous properties such as the parameters responsible for the contrast between lamellae. This contrast can be caused by differences in color, density, elemental composition, or surface roughness. (C) 2016 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)
DOI: 10.1016/J.JNONCRYSOL.2016.03.019
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