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“Structural modification of the skin barrier by OH radicals : a reactive molecular dynamics study for plasma medicine”. Van der Paal J, Verlackt CC, Yusupov M, Neyts EC, Bogaerts A, Journal of physics: D: applied physics 48, 155202 (2015). http://doi.org/10.1088/0022-3727/48/15/155202
Abstract: While plasma treatment of skin diseases and wound healing has been proven highly effective, the underlying mechanisms, and more generally the effect of plasma radicals on skin tissue, are not yet completely understood. In this paper, we perform ReaxFF-based reactive molecular dynamics simulations to investigate the interaction of plasma generated OH radicals with a model system composed of free fatty acids, ceramides, and cholesterol molecules. This model system is an approximation of the upper layer of the skin (stratum corneum). All interaction mechanisms observed in our simulations are initiated by H-abstraction from one of the ceramides. This reaction, in turn, often starts a cascade of other reactions, which eventually lead to the formation of aldehydes, the dissociation of ceramides or the elimination of formaldehyde, and thus eventually to the degradation of the skin barrier function.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.588
Times cited: 20
DOI: 10.1088/0022-3727/48/15/155202
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“Structure and magnetic properties of a new anion-deficient perovskite Pb2Ba2BiFe4ScO13 with crystallographic shear structure”. Batuk M, Tyablikov OA, Tsirlin AA, Kazakov SM, Rozova MG, Pokholok KV, Filimonov DS, Antipov EV, Abakumov AM, Hadermann J, Materials research bulletin 48, 3459 (2013). http://doi.org/10.1016/j.materresbull.2013.05.028
Abstract: Pb2Ba2BiFe4ScO13, a new n = 5 member of the oxygen-deficient perovskite-based A(n)B(n)O(3n-2) homologous series, was synthesized using a solid-state method. The crystal structure of Pb2Ba2BiFe4ScO13 was investigated by a combination of synchrotron X-ray powder diffraction, electron diffraction, high-angle annular dark-field scanning transmission electron microscopy and Mossbauer spectroscopy. At 900 K, it crystallizes in the Ammm space group with the unit cell parameters a = 5.8459(1) angstrom, b = 4.0426(1) angstrom, and c=27.3435(1) angstrom. In the Pb2Ba2BiFe4ScO13 structure, quasi-two-dimensional perovskite blocks are periodically interleaved with 1/2[1 1 0] ((1) over bar 0 1)(p) crystallographic shear (CS) planes. At the CS planes, the corner-sharing FeO6 octahedra are transformed into chains of edge-sharing FeO5 distorted tetragonal pyramids. B-positions of the perovskite blocks between the CS planes are jointly occupied by Fe3+ and Sc3+. The chains of the FeO5 pyramids and (Fe,Sc)O-6 octahedra delimit six-sided tunnels that are occupied by double columns of cations with a lone electron pair (Pb2+). The remaining A-cations (Bi3+, Ba2+) occupy positions in the perovskite block. According to the magnetic susceptibility measurements, Pb2Ba2BiFe4ScO13 is antiferromagnetically ordered below T-N approximate to 350 K. (C) 2013 Elsevier Ltd. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.446
Times cited: 2
DOI: 10.1016/j.materresbull.2013.05.028
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“Transformation of C70 peapods into double walled carbon nanotubes”. Launois P, Chorro M, Verberck B, Albouy P-A, Rouzière S, Colson D, Forget A, Noé, L, Kataura H, Monthioux M, Cambedouzou J, Carbon 48, 89 (2010). http://doi.org/10.1016/j.carbon.2009.08.035
Abstract: X-ray diffraction studies comparing the transformation of C(60) and C(70) peapods into double walled carbon nanotubes are presented. The structures of the as-formed DWCNTs are strikingly similar, showing that they are not dependent on the nature of the fullerene precursor. High temperature X-ray diffraction measurements of C(70) peapods below the coalescence temperature show that confined C(70) molecules in large tubes undergo an orientational. transition to free rotations. Fast re-orientations of C(70) molecules allow cyclo-addition between adjacent fullerenes to form, in good agreement with the mechanism of coalescence proposed in the literature for C(60) molecules. (C) 2009 Elsevier Ltd. All rights reserved.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 6.337
Times cited: 27
DOI: 10.1016/j.carbon.2009.08.035
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“Two variants of the 1/2[110]p(203)p crystallographic shear structures: the phasoid Sr0.61Pb0.18(Fe0.75Mn0.25)O2.29”. Lepoittevin C, Hadermann J, Malo S, Pérez O, Van Tendeloo G, Hervieu M, Inorganic chemistry 48, 8257 (2009). http://doi.org/10.1021/ic900762s
Abstract: For the composition (Sr0.61Pb0.18)(Fe0.75Mn0.25)O2.29, a new modulated crystallographic shear structure, related to perovskite, has been synthesized and structurally characterized by transmission electron microscopy. The structure can be described using a monoclinic supercell with cell parameters am = 27.595(2) Å, bm = 3.8786(2) Å, cm = 13.3453(9) Å, and βm = 100.126(5)°, refined from powder X-ray diffraction data. The incommensurate crystallographic shear phases require an alternative approach using the superspace formalism. This allows a unified description of the incommensurate phases from a monoclinically distorted perovskite unit cell and a modulation wave vector. The structure deduced from the high-resolution transmission electron microscopy and high-angle annular dark-field−scanning transmission electron microscopy images is that of a 1/2[110]p(203)p crystallographic shear structure. The structure follows the concept of a phasoid, with two coexisting variants with the same unit cell. The difference is situated at the translational interface, with the local formation of double (phase 2) or single (phase 1) tunnels, where the Pb cations are likely located.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.857
Times cited: 11
DOI: 10.1021/ic900762s
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“Comparison of the electronic structure of amorphous versus crystalline indium gallium zinc oxide semiconductor : structure, tail states and strain effects”. de de Meux AJ, Pourtois G, Genoe J, Heremans P, Journal of physics: D: applied physics 48, 435104 (2015). http://doi.org/10.1088/0022-3727/48/43/435104
Abstract: We study the evolution of the structural and electronic properties of crystalline indium gallium zinc oxide (IGZO) upon amorphization by first-principles calculation. The bottom of the conduction band (BCB) is found to be constituted of a pseudo-band of molecular orbitals that resonate at the same energy on different atomic sites. They display a bonding character between the s orbitals of the metal sites and an anti-bonding character arising from the interaction between the oxygen and metal s orbitals. The energy level of the BCB shifts upon breaking of the crystal symmetry during the amorphization process, which may be attributed to the reduction of the coordination of the cationic centers. The top of the valence band (TVB) is constructed from anti-bonding oxygen p orbitals. In the amorphous state, they have random orientation, in contrast to the crystalline state. This results in the appearance of localized tail states in the forbidden gap above the TVB. Zinc is found to play a predominant role in the generation of these tail states, while gallium hinders their formation. Last, we study the dependence of the fundamental gap and effective mass of IGZO on mechanical strain. The variation of the gap under strain arises from the enhancement of the anti-bonding interaction in the BCB due to the modification of the length of the oxygen-metal bonds and/or to a variation of the cation coordination. This effect is less pronounced for the amorphous material compared to the crystalline material, making amorphous IGZO a semiconductor of choice for flexible electronics. Finally, the effective mass is found to increase upon strain, in contrast to regular materials. This counterintuitive variation is due to the reduction of the electrostatic shielding of the cationic centers by oxygen, leading to an increase of the overlaps between the metal orbitals at the origin of the delocalization of the BCB. For the range of strain typically met in flexible electronics, the induced variation in the effective mass is found to be negligible (less than 1%).
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.588
Times cited: 23
DOI: 10.1088/0022-3727/48/43/435104
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“Highly porous palladium nanodendrites : wet-chemical synthesis, electron tomography and catalytic activity”. Mourdikoudis S, Montes-Garcia V, Rodal-Cedeira S, Winckelmans N, Perez-Juste I, Wu H, Bals S, Perez-Juste J, Pastoriza-Santos I, Journal of the Chemical Society : Dalton transactions 48, 3758 (2019). http://doi.org/10.1039/C9DT00107G
Abstract: A simple procedure to obtain highly porous hydrophilic palladium nanodendrites in one-step is described. The synthetic strategy is based on the thermal reduction of a Pd precursor in the presence of a positively charged polyelectrolyte such as polyethylenimine (PEI). Advanced electron microscopy techniques combined with X-ray diffraction (XRD), thermogravimetry and BET analysis demonstrate the polycrystalline nature of the nanodendrites as well as their high porosity and active surface area, facilitating a better understanding of their unique morphology. Besides, catalytic studies performed using Raman scattering and UV-Vis spectroscopies revealed that the nanodendrites exhibit a superior performance as recyclable catalysts towards hydrogenation reaction compared to other noble metal nanoparticles.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 23
DOI: 10.1039/C9DT00107G
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“A general Monte-Carlo simulation of energy-dispersive X-ray fluorescence spectrometers : 1 : unpolarized radiation, homogenious samples”. Vincze L, Janssens K, Adams F, Spectrochimica acta: part B : atomic spectroscopy 48, 553 (1993). http://doi.org/10.1016/0584-8547(93)80060-8
Abstract: A general Monte Carlo program for the simulation of X-ray fluorescence (XRF) spectrometers is presented. The global layout of the program is discussed and the way in which variance reduction techniques have been employed to improve the efficiency of the code is described. For the case of polychromatic excitation in a direct excitation energy-dispersive (ED) XRF instrument, experimentally collected ED-XRF spectra are compared with simulated spectral distributions. Applications of the software in the field of quantitative analysis and thickness estimation of samples of intermediate thickness illustrate the potential of the method.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/0584-8547(93)80060-8
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“Interpreting technical evidence from spectral imaging of paintings by Edouard Manet in the Courtauld Gallery”. Amato SR, Burnstock A, Cross M, Janssens K, Rosi F, Cartechini L, Fontana R, Dal Fovo A, Paolantoni M, Grazia C, Romani A, Michelin A, Andraud C, Tournie A, Dik J, X-ray spectrometry
T2 –, MA-XRF Workshop on Developments and Applications of Macro-XRF in, Conservation, Art, and Archeology, SEP 24-25, 2017, Trieste, ITALY 48, 282 (2019). http://doi.org/10.1002/XRS.2828
Abstract: The paintings by edouard Manet in The Courtauld Gallery Dejeuner sur l'herbe (1863-68), Marguerite de Conflans en Toilette de Bal (1870-1880), Banks of the Seine at Argenteuil (1874), and A Bar at the Folies-Bergere (1882) were investigated for the first time using a range of non-invasive in situ analyses. The aims of the study were to investigate the painting techniques and materials used for this group of works and to critically evaluate the technical evidence derived from the integrated use of imaging techniques and portable spectroscopic methods in this context. The paintings were investigated by means of macro X-ray fluorescence (MA-XRF), reflection spectral imaging, portable UV-Vis-NIR spectroscopy, portable Raman spectroscopy, and reflection FTIR. MA-XRF and reflection spectral imaging allowed visualising elements in the compositions that were not visible using traditional methods of technical study. For example, MA-XRF analysis of Dejeuner sur l'herbe revealed elements of the development of the composition that provided new evidence to consider its relationship to other versions of the composition. The study also highlighted questions about the interpretation of elemental distribution maps and spectral images that did not correspond to the reworking visible in X-radiographs. For example, in A Bar at the Folies-Bergere Manet made numerous changes during painting, which were not clearly visualised with any of the techniques used. The research has wider implications for the study of Impressionist paintings, as the results will support technical studies of works by other artists of the period who used similar materials and painting methods.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 1.298
DOI: 10.1002/XRS.2828
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“In situ study of ballast tank corrosion on ships: part 1”. Verstraelen H, de Baere K, Schillemans W, Lemmens L, Dewil R, Lenaerts S, Potters G, Materials performance 48, 48 (2009)
Keywords: A1 Journal article; Engineering sciences. Technology; Theory of quantum systems and complex systems; Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 0.149
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“In situ study of ballast tank corrosion on ships: part 2”. Verstraelen H, de Baere K, Schillemans W, Lemmens L, Dewil R, Lenaerts S, Potters G, Materials performance 48, 54 (2009)
Abstract: A study was undertaken to determine causes and effects of corrosion processes in ballast tanks. Part 1 of this article (October 2009 MP) described the data collection. Part 2 describes the development of a corrosion index (CI) derived from the general International Association of Classification Societies corrosion assessment methods. The CI can be used in situ to assess ballast tank corrosion. An average timeline for-corrosion of tanks is presented.
Keywords: A1 Journal article; Engineering sciences. Technology; Theory of quantum systems and complex systems; Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 0.149
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“Bridging the gap between LCA, LCC and CBA as sustainability assessment tools”. Hoogmartens R, Van Passel S, Van Acker K, Dubois M, Environmental Impact Assessment Review 48, 27 (2014). http://doi.org/10.1016/J.EIAR.2014.05.001
Abstract: Increasing interest in sustainability has led to the development of sustainability assessment tools such as Life Cycle Analysis (LCA), Life Cycle Costing (LCC) and Cost-Benefit Analysis (CBA). Due to methodological disparity of these three tools, conflicting assessment results generate confusion for many policy and business decisions. In order to interpret and integrate assessment results, the paper provides a framework that clarifies the connections and coherence between the included assessment methodologies. Building on this framework, the paper further focuses on key aspects to adapt any of the methodologies to full sustainability assessments. Aspects dealt with in the review are for example the reported metrics, the scope, data requirements, discounting, product- or project-related and approaches with respect to scarcity and labor requirements. In addition to these key aspects, the review shows that important connections exist: (i) the three tools can cope with social inequality, (ii) processes such as valuation techniques for LCC and CBA are common, (iii) Environmental Impact Assessment (EIA) is used as input in both LCA and CBA and (iv) LCA can be used in parallel with LCC. Furthermore, the most integrated sustainability approach combines elements of LCA and LCC to achieve the Life Cycle Sustainability Assessment (LCSA). The key aspects and the connections referred to in the review are illustrated with a case study on the treatment of end-of-life automotive glass. (C) 2014 Elsevier Inc. All rights reserved.
Keywords: A1 Journal article; Economics; Engineering Management (ENM)
Impact Factor: 3.094
Times cited: 93
DOI: 10.1016/J.EIAR.2014.05.001
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“Chemical composition of river sediments from the Indian sub-continent”. Subramanian V, Van 't dack L, Van Grieken R, Chemical geology 48, 271 (1985). http://doi.org/10.1016/0009-2541(85)90052-X
Abstract: River sediments from all of the major drainage basins (except the Indus) in the Indian sub-continent were collected and analysed by thin-film X-ray fluorescence technique (XRF) to determine their chemical composition. On the basis of analysis of more than 120 samples, average chemical compositions of river-borne sediments from the Indian sub-continent have been calculated. Also, average concentration values for sediments from each of the river basins, and the sub-continent average and the inter-basin differences are discussed in relation to weathering processes in the drainage basins. Comparisons have been made with the chemistry of sediments from the Bay of Bengal (which receives the bulk of sediments delivered by Indian rivers). Our observations are discussed in the light of average chemical composition of world-river sediments and the world surface rock exposed for continental weathering.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/0009-2541(85)90052-X
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“Elemental and single particle aerosol characterisation at a background station in Kazakhstan”. Hoornaert S, Godoi RHM, Van Grieken R, Journal of atmospheric chemistry 48, 301 (2004). http://doi.org/10.1023/B:JOCH.0000044432.74476.B0
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1023/B:JOCH.0000044432.74476.B0
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“Chabazite : stable cation-exchanger in hyper alkaline concrete pore water”. Van Tendeloo L, Wangermez W, Kurttepeli M, de Blochouse B, Bals S, Van Tendeloo G, Martens JA, Maes A, Kirschhock CEA, Breynaert E, Environmental science and technology 49, 2358 (2015). http://doi.org/10.1021/es505346j
Abstract: To avoid impact on the environment, facilities for permanent disposal of hazardous waste adopt multibarrier design schemes. As the primary barrier very often consists of cement-based materials, two distinct aspects are essential for the selection of suitable complementary barriers: (1) selective sorption of the contaminants in the repository and (2) long-term chemical stability in hyperalkaline concrete-derived media. A multidisciplinary approach combining experimental strategies from environmental chemistry and materials science is therefore essential to provide a reliable assessment of potential candidate materials. Chabazite is typically synthesized in 1 M KOH solutions but also crystallizes in simulated young cement pore water, a pH 13 aqueous solution mainly containing K+ and Na+ cations. Its formation and stability in this medium was evaluated as a function of temperature (60 and 85 °C) over a timeframe of more than 2 years and was also asessed from a mechanistic point of view. Chabazite demonstrates excellent cation-exchange properties in simulated young cement pore water. Comparison of its Cs+ cation exchange properties at pH 8 and pH 13 unexpectedly demonstrated an increase of the KD with increasing pH. The combined results identify chabazite as a valid candidate for inclusion in engineered barriers for concrete-based waste disposal.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 6.198
Times cited: 13
DOI: 10.1021/es505346j
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“The chemical vapor infiltration of exfoliated graphite to produce carbon/carbon composites”. Tikhomirov AS, Sorokina NE, Shornikova ON, Morozov VA, Van Tendeloo G, Avdeev VV, Carbon 49, 147 (2011). http://doi.org/10.1016/j.carbon.2010.08.054
Abstract: Chemical vapor infiltration was used for the production of carbon/carbon composites based on exfoliated graphite and pyrolytic carbon Two different exfoliated graphites compacted to densities of 0 05-0 4 g/cm(3) were used as a preform The influence of the synthesis conditions (temperature, pressure, time etc) on the degree of infiltration, the pyrolytic carbon morphology and the C/C composite characteristics was examined using Raman spectroscopy, scanning electron microscopy and low-temperature nitrogen adsorption (C) 2010 Elsevier Ltd All rights reserved
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 6.337
Times cited: 7
DOI: 10.1016/j.carbon.2010.08.054
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“Crystal structure and phase transitions in Sr3WO6”. King G, Abakumov AM, Hadermann J, Alekseeva AM, Rozova MG, Perkisas T, Woodward PM, Van Tendeloo G, Antipov EV, Inorganic chemistry 49, 6058 (2010). http://doi.org/10.1021/ic100598v
Abstract: The crystal structures of the beta and gamma polymorphs of Sr3WO6 and the gamma <->beta phase transition have been investigated using electron diffraction, synchrotron X-ray powder diffraction, and neutron powder diffraction. The gamma-Sr3WO6 polymorph is stable above T-c approximate to 470 K and adopts a monoclinically distorted double perovskite A(2)BB'O-6= Sr2SrWO6 structure (space group Cc, a = 10.2363(1)angstrom, b= 17.9007(1)angstrom, c= 11.9717(1)angstrom, beta=125.585(1)degrees at T= 1373 K, Z=12, corresponding to a = a(p)+1/2b(p) – 1/2c(p), b =3/2b(p) + 3/2c(p), c =-b(p) + c(p), a(p),b(p), c(p), lattice vectors of the parent Fm (3) over barm double perovskite structure). Upon cooling it undergoes a continuous phase transition into the triclinically distorted beta-Sr3WO6 phase (space group Cl, a = 10.09497(3)angstrom, b = 17.64748(5)angstrom, c = 11.81400(3)angstrom, alpha = 89.5470(2)degrees, beta= 125.4529(2)degrees, gamma =90.2889(2)degrees at T= 300 K). Both crystal structures of Sr3WO6 belong to a family of double perovskites with broken corner sharing connectivity of the octahedral framework. A remarkable feature of the gamma-Sr3WO6 structure is a non-cooperative rotation of the WO6 octahedra. One third of the WO6 octahedra are rotated by 45 about either the bp or the cp axis of the parent double perovskite structure. As a result, the WO6 octahedra do not share corners but instead share edges with the coordination polyhedra of the Sr cations at the B positions increasing their coordination number from 6 to 7 or 8. The crystal structure of the beta-phase is very close to the structure of the gamma-phase; decreasing symmetry upon the gamma ->beta transformation occurs because of unequal octahedral rotation angles about the bp and cp axes and increasing distortions of the WO6 octahedra.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.857
Times cited: 18
DOI: 10.1021/ic100598v
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“A density-functional theory simulation of the formation of Ni-doped fullerenes by ion implantation”. Neyts E, Maeyens A, Pourtois G, Bogaerts A, Carbon 49, 1013 (2011). http://doi.org/10.1016/j.carbon.2010.11.009
Abstract: Using self-consistent KohnSham density-functional theory molecular dynamics simulations, we demonstrate the theoretical possibility to synthesize NiC60, the incarfullerene Ni@C60 and the heterofullerene C59Ni in an ion implantation setup. The corresponding formation mechanisms of all three complexes are elucidated as a function of the ion implantation energy and impact location, suggesting possible routes for selectively synthesizing these complexes.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 6.337
Times cited: 13
DOI: 10.1016/j.carbon.2010.11.009
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“Electron diffraction effects of conical, helically wound, graphite whiskers”. Luyten W, Krekels T, Amelinckx S, Van Tendeloo G, van Dyck D, van Landuyt J, Ultramicroscopy 49, 123 (1993). http://doi.org/10.1016/0304-3991(93)90219-N
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.436
Times cited: 14
DOI: 10.1016/0304-3991(93)90219-N
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“GP-zones in Al-Zn-Mg alloys and their role in artificial aging”. Berg LK, Gjønnes J, Hansen V, Li XZ, Knutson-Wedel M, Waterloo G, Schryvers D, Wallenberg LR, Acta materialia 49, 3443 (2001). http://doi.org/10.1016/S1359-6454(01)00251-8
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 5.301
Times cited: 261
DOI: 10.1016/S1359-6454(01)00251-8
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“Graphene textures: tubules and whiskers related to fullerene crystallography”. Van Tendeloo G, Amelinckx S, van Landuyt J, Acta crystallographica: section A: foundations of crystallography 49, 355 (1993)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.307
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“Lewis base mediated efficient synthesis and solvation-like host-guest chemistry of covalent organic framework-1”. Kalidindi SB, Wiktor C, Ramakrishnan A, Weßing J, Schneemann A, Van Tendeloo G, Fischer RA, Chemical communications 49, 463 (2013). http://doi.org/10.1039/c2cc37183a
Abstract: N-Lewis base mediated room temperature synthesis of covalent organic frameworks (COFs) starting from a solution of building blocks instead of partially soluble building blocks was developed. This protocol shifts COF synthetic chemistry from sealed tubes to open beakers. Non-conventional inclusion compounds of COF-1 were obtained by vapor phase infiltration of ferrocene and azobenzene, and solvation like effects were established.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 6.319
Times cited: 17
DOI: 10.1039/c2cc37183a
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“Microstructure of CuXMo6S8 Chevrel phase thin films on R-plane sapphire”. Richard O, Van Tendeloo G, Lemée N, le Lannic J, Guilloux-Viry M, Perrin A, Journal of electron microscopy 49, 493 (2000). http://doi.org/10.1093/oxfordjournals.jmicro.a023834
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 0.9
DOI: 10.1093/oxfordjournals.jmicro.a023834
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“A Monte Carlo study of C70 molecular motion in C70@SWCNT peapods”. Verberck B, Cambedouzou J, Vliegenthart GA, Gompper G, Launois P, Carbon 49, 2007 (2011). http://doi.org/10.1016/j.carbon.2011.01.027
Abstract: We present Monte Carlo simulations of chains of C70 molecules encapsulated in a single-walled carbon nanotube (SWCNT). For various tube radii R (6.5 Å less-than-or-equals, slant R less-than-or-equals, slant 7.5 Å), we analyze rotational and translational motion of the C70 molecules, as a function of temperature. Apart from reproducing the experimentally well-established lying and standing molecular orientations for small and large tube radii, respectively, we observe, depending on the tube diameter, a variety of molecular motions, orientational flipping of lying molecules, and the migration of molecules resulting in a continual rearrangement of the C70 molecules in clusters of varying lengths. With increasing temperature, the evolution of the pair correlation functions reveals a transition from linear harmonic chain behavior to a hard-sphere liquid, making C70@SWCNT peapods tunable physical realizations of two well-known one-dimensional model systems.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 6.337
Times cited: 10
DOI: 10.1016/j.carbon.2011.01.027
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“Ordering and phase transitions of charged particles in a classical finite two-dimensional system”. Bedanov VM, Peeters FM, Physical review : B : condensed matter and materials physics 49, 2667 (1994)
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.736
Times cited: 412
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“Ordering of Pd2+ and Pd4+ in the mixed-valent palladate KPd2O3”. Panin RV, Khasanova NR, Bougerol C, Schnelle W, Van Tendeloo G, Antipov EV, Inorganic chemistry 49, 1295 (2010). http://doi.org/10.1021/ic902187a
Abstract: A new potassium palladate KPd2O3 was synthesized by the reaction of KO2 and PdO at elevated oxygen pressure. Its crystal structure was solved from powder X-ray diffraction data in the space group Rm (a = 6.0730(1) Å, c = 18.7770(7) Å, and Z = 6). KPd2O3 represents a new structure type, consisting of an alternating sequence of K+ and Pd2O3− layers with ordered Pd2+ and Pd4+ ions. The presence of palladium ions in di- and tetravalent low-spin states was confirmed by magnetic susceptibility measurements.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.857
Times cited: 9
DOI: 10.1021/ic902187a
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“A scanning electron microscopy study on hollow silica microspheres: defects and influences of the synthesis composition”. Liu S, Wei M, Sui X, Cheng X, Cool P, Van Tendeloo G, Journal of sol-gel science and technology 49, 373 (2009). http://doi.org/10.1007/s10971-008-1875-0
Abstract: Defects on hollow silica spheres synthesized in a tetraethylorthosilicate-octylamine-HCl-H2O system were recorded by scanning microscope. Based on the results, influences of synthesis composition on the formation of these defects are discussed. It is evidenced that products prepared with different octylamine-to-tetraethylorthosilicate ratios may have surface depressions, cracks and non-hollow microspheres. However, by changing water and acid additions, these defects could be reduced or eliminated. Generally, samples synthesized with a large octylamine addition commonly exhibit surface depressions. A small octylamine or a large water addition benefits the formation of solid silica microspheres among the product. Acid, although is not indispensable for the formation of hollow spheres, helps to eliminate or reduce depressions on the hollow shells. It is explained that the added acid gives rise to a relative localized fast hydrolysis versus condensation, facilitating an easy mobility of hydrolyzed silica species, and consequently the shell surface is smoothened.
Keywords: A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Electron microscopy for materials research (EMAT)
Impact Factor: 1.575
Times cited: 1
DOI: 10.1007/s10971-008-1875-0
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“Slicing the Perovskite structure with crystallographic shear planes : the AnBnO3n-2 homologous series”. Abakumov AM, Hadermann J, Batuk M, d' Hondt H, Tyablikov OA, Rozova MG, Pokholok KV, Filimonov DS, Sheptyakov DV, Tsirlin AA, Niermann D, Hemberger J, Van Tendeloo G, Antipov EV, Inorganic chemistry 49, 9508 (2010). http://doi.org/10.1021/ic101233s
Abstract: A new AnBnO3n−2 homologous series of anion-deficient perovskites has been evidenced by preparation of the members with n = 5 (Pb2.9Ba2.1Fe4TiO13) and n = 6 (Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16) in a single phase form. The crystal structures of these compounds were determined using a combination of transmission electron microscopy and X-ray and neutron powder diffraction (S.G. Ammm, a = 5.74313(7), b = 3.98402(4), c = 26.8378(4) Å, RI = 0.035, RP = 0.042 for Pb2.9Ba2.1Fe4TiO13 and S.G. Imma, a = 5.7199(1), b = 3.97066(7), c = 32.5245(8) Å, RI = 0.032, RP = 0.037 for Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16). The crystal structures of the AnBnO3n−2 homologues are formed by slicing the perovskite structure with (01)p crystallographic shear (CS) planes. The shear planes remove a layer of oxygen atoms and displace the perovskite blocks with respect to each other by the 1/2[110]p vector. The CS planes introduce edge-sharing connections of the transition metal−oxygen polyhedra at the interface between the perovskite blocks. This results in intrinsically frustrated magnetic couplings between the perovskite blocks due to a competition of the exchange interactions between the edge- and the corner-sharing metal−oxygen polyhedra. Despite the magnetic frustration, neutron powder diffraction and Mssbauer spectroscopy reveal that Pb2.9Ba2.1Fe4TiO13 and Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16 are antiferromagnetically ordered below TN = 407 and 343 K, respectively. The Pb2.9Ba2.1Fe4TiO13 and Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16 compounds are in a paraelectric state in the 5−300 K temperature range.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.857
Times cited: 23
DOI: 10.1021/ic101233s
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“Structural effects of element substitution in the CuO plane of the 1-2-3 YBCO superconductor”. Krekels T, Van Tendeloo G, Amelinckx S, van Landuyt J, Acta crystallographica: section A: foundations of crystallography 49, 287 (1993)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.307
Times cited: 56
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“Structure and energetics of hydrogen chemisorbed on a single graphene layer to produce graphane”. Dzhurakhalov AA, Peeters FM, Carbon 49, 3258 (2011). http://doi.org/10.1016/j.carbon.2011.03.052
Abstract: Chemisorption of hydrogen on graphene is studied using atomistic simulations with the second generation of reactive empirical bond order Brenner inter-atomic potential. The lowest energy adsorption sites and the most important metastable sites are determined. The H concentration is varied from a single H atom, to clusters of H atoms up to full coverage. We found that when two or more H atoms are present, the most stable configurations of H chemisorption on a single graphene layer are ortho hydrogen pairs adsorbed on one side or on both sides of the graphene sheet. The latter has the highest hydrogen binding energy. The next stable configuration is the orthopara pair combination, and then para hydrogen pairs. The structural changes of graphene caused by chemisorbed hydrogen are discussed and are compared with existing experimental data and other theoretical calculations. The obtained results will be useful for nanoengineering of graphene by hydrogenation and for hydrogen storage.
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Integrated Molecular Plant Physiology Research (IMPRES)
Impact Factor: 6.337
Times cited: 46
DOI: 10.1016/j.carbon.2011.03.052
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“Superlattice variants in Sr2CuO2(CO3): an electron microscopy study”. Milat O, Van Tendeloo G, van Landuyt J, Amelinckx S, Acta crystallographica: section A: foundations of crystallography 49, 357 (1993)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.307
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