“Changing chirality during single-walled carbon nanotube growth : a reactive molecular dynamics/Monte Carlo study”. Neyts EC, van Duin ACT, Bogaerts A, Journal of the American Chemical Society 133, 17225 (2011). http://doi.org/10.1021/ja204023c
Abstract: The growth mechanism and chirality formation of a single-walled carbon nanotube (SWNT) on a surface-bound nickel nanocluster are investigated by hybrid reactive molecular dynamics/force-biased Monte Carlo simulations. The validity of the interatomic potential used, the so-called ReaxFF potential, for simulating catalytic SWNT growth is demonstrated. The SWNT growth process was found to be in agreement with previous studies and observed to proceed through a number of distinct steps, viz., the dissolution of carbon in the metallic particle, the surface segregation of carbon with the formation of aggregated carbon clusters on the surface, the formation of graphitic islands that grow into SWNT caps, and finally continued growth of the SWNT. Moreover, it is clearly illustrated in the present study that during the growth process, the carbon network is continuously restructured by a metal-mediated process, thereby healing many topological defects. It is also found that a cap can nucleate and disappear again, which was not observed in previous simulations. Encapsulation of the nanoparticle is observed to be prevented by the carbon network migrating as a whole over the cluster surface. Finally, for the first time, the chirality of the growing SWNT cap is observed to change from (11,0) over (9,3) to (7,7). It is demonstrated that this change in chirality is due to the metal-mediated restructuring process.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 13.858
Times cited: 116
DOI: 10.1021/ja204023c
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“F-doped Co3O4 photocatalysts for sustainable H2 generation from water/ethanol”. Gasparotto A, Barreca D, Bekermann D, Devi A, Fischer RA, Fornasiero P, Gombac V, Lebedev OI, Maccato C, Montini T, Van Tendeloo G, Tondello E, Journal of the American Chemical Society 133, 19362 (2011). http://doi.org/10.1021/ja210078d
Abstract: p-Type Co3O4 nanostructured films are synthesized by a plasma-assisted process and tested in the photocatalytic production of H2 from water/ethanol solutions under both near-UV and solar irradiation. It is demonstrated that the introduction of fluorine into p-type Co3O4 results in a remarkable performance improvement with respect to the corresponding undoped oxide, highlighting F-doped Co3O4 films as highly promising systems for hydrogen generation. Notably, the obtained yields were among the best ever reported for similar semiconductor-based photocatalytic processes.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 13.858
Times cited: 114
DOI: 10.1021/ja210078d
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“Fluorinated heterometallic \beta-diketonates as volatile single-source precursors for the synthesis of low-valent mixed-metal fluorides”. Navulla A, Tsirlin AA, Abakumov AM, Shpanchenko RV, Zhang H, Dikarev EV, Journal of the American Chemical Society 133, 692 (2011). http://doi.org/10.1021/ja109128r
Abstract: Hexafluoroacetylacetonates that contain lead and divalent first-row transition metals, PbM(hfac)4 (M = Ni (1), Co (2), Mn (3), Fe (4), and Zn (5)), have been synthesized. Their heterometallic structures are held together by strong Lewis acid−base interactions between metal atoms and diketonate ligands acting in chelating−bridging fashion. Compounds 1−5 are highly volatile and decompose below 350 °C. Fluorinated heterometallic β-diketonates have been used for the first time as volatile single-source precursors for the preparation of mixed-metal fluorides. Complex fluorides of composition Pb2MF6 have been obtained by decomposition of 1−5 in a two-zone furnace under low-pressure nitrogen flow. Lead−transition metal fluorides conform to orthorhombically distorted Aurivillius-type structure with layers of corner-sharing [MF6] octahedra separated by α-PbO-type (Pb2F2) blocks. Pb2NiF6 and Pb2CoF6 were found to exhibit magnetic ordering below 80 and 43 K, respectively. The ordering is antiferromagnetic, with a weak, uncompensated moment due to the canting of spins. The Pb2MF6 fluorides represent a new class of prospective magnetoelectric materials combining transition metals and lone-pair main-group cations.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 13.858
Times cited: 28
DOI: 10.1021/ja109128r
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“GaN@ZIF-8 : selective formation of gallium nitride quantum dots inside a zinc methylimidazolate framework”. Esken D, Turner S, Wiktor C, Kalidindi SB, Van Tendeloo G, Fischer RA, Journal of the American Chemical Society 133, 16370 (2011). http://doi.org/10.1021/ja207077u
Abstract: The microporous zeolitic imidazolate framework [Zn(MeIM)2; ZIF-8; MeIM = imidazolate-2-methyl] was quantitatively loaded with trimethylamine gallane [(CH3)3NGaH3]. The obtained inclusion compound [(CH3)3NGaH3]@ZIF-8 reveals three precursor molecules per host cavity. Treatment with ammonia selectively yields the caged cyclotrigallazane intermediate (H2GaNH2)3@ZIF-8, and further annealing gives GaN@ZIF-8. This new composite material was characterized with FT-IR spectroscopy, solid-state NMR spectroscopy, powder X-ray diffraction, elemental analysis, (scanning) transmission electron microscopy combined with electron energy-loss spectroscopy, photoluminescence (PL) spectroscopy, and N2 sorption measurements. The data give evidence for the presence of GaN nanoparticles (13 nm) embedded in the cavities of ZIF-8, including a blue-shift of the PL emission band caused by the quantum size effect.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 13.858
Times cited: 82
DOI: 10.1021/ja207077u
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“Mn(I) in an extended oxide : the synthesis and characterization of La1-xCaxMnO2+\delta (0.6\leq x\leq1)”. Dixon E, Hadermann J, Ramos S, Goodwin AL, Hayward MA, Journal of the American Chemical Society 133, 18397 (2011). http://doi.org/10.1021/ja207616c
Abstract: Reduction of La1xCaxMnO3 (0.6 ≤ x ≤ 1) perovskite phases with sodium hydride yields materials of composition La1xCaxMnO2+δ. The calcium-rich phases (x = 0.9, 1) adopt (La0.9Ca0.1)0.5Mn0.5O disordered rocksalt structures. However local structure analysis using reverse Monte Carlo refinement of models against pair distribution functions obtained from neutron total scattering data reveals lanthanum-rich La1xCaxMnO2+δ (x = 0.6, 0.67, 0.7) phases adopt disordered structures consisting of an intergrowth of sheets of MnO6 octahedra and sheets of MnO4 tetrahedra. X-ray absorption data confirm the presence of Mn(I) centers in La1xCaxMnO2+δ phases with x < 1. Low-temperature neutron diffraction data reveal La1xCaxMnO2+δ (x = 0.6, 0.67, 0.7) phases become antiferromagnetically ordered at low temperature.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 13.858
Times cited: 33
DOI: 10.1021/ja207616c
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“Characterization and modeling of single-particle energy levels and resonant currents in a coherent quantum dot mixer”. Austing DG, Payette C, Yu G, Gupta JA, Aers GC, Nair SV, Partoens B, Amaha S, Tarucha S, AIP conference proceedings
T2 –, 30th International Conference on the Physics of Semiconductors (ICPS-30), JUL 25-30, 2010, Seoul, SOUTH KOREA , 1 (2011). http://doi.org/10.1063/1.3666692
Abstract: We characterize and model the single-particle energy level position and resonant current strength at a three-level crossing in a coherent mixer composed of two weakly coupled vertical quantum dots. In addition to clear anticrossing behavior, an otherwise strong resonance is completely extinguished at the center of the crossing. Despite the strong variation in energy level position and resonant current strength throughout the crossing region, the resonance widths and the sum of the branch currents are found to be approximately constant.
Keywords: P1 Proceeding; Condensed Matter Theory (CMT)
DOI: 10.1063/1.3666692
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“TXM-NEXAFS of TiO2-based nanostructures”. Guttmann P, Bittencourt C, Ke X, Van Tendeloo G, Umek P, Arcon D, Ewels CP, Rehbein S, Heim S, Schneider G, AIP conference proceedings 1365, 437 (2011). http://doi.org/10.1063/1.3625396
Abstract: In this work, electronic properties of individual TiOx-pristine nanoribbons (NR) prepared by hydrothermal treatment of anatase TiO(2) micro-particles were studied using the HZB transmission x-ray microscope (TXM) at the BESSY II undulator beamline U41-FSGM. NEXAFS is ideally suited to study TiO(2)-based materials because both the O K-edge and Ti L-edge features are very sensitive to the local bonding environment, providing diagnostic information about the crystal structures and oxidation states of various forms of titanium oxides and sub-oxides. TXM-NEXAFS combines full-field x-ray microscopy with spectroscopy, allowing the study of the electronic structure of individual nanostructures with spatial resolution better than 25 nm and a spectral resolution of up to E/Delta E = 10000. The typical image field in TXM-NEXAFS measurements is about 10 mu m. 10 mu m, which is large compared to the individual nanoparticle. Therefore, one image stack already contains statistically significant data. In addition, the directional electric field vector ((E) over bar) of the x-rays can be used as a “search tool” for the direction of chemical bonds of the atom selected by its absorption edge.
Keywords: P1 Proceeding; Electron microscopy for materials research (EMAT)
Times cited: 2
DOI: 10.1063/1.3625396
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d' Hondt H (2011) Characterization of anion deficient perovskites. Antwerpen
Keywords: Doctoral thesis; Electron microscopy for materials research (EMAT)
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“The junctionless nanowire transistor”. Sorée B, Pham A-T, Sels D, Magnus W Pan Stanford, S.l., page ? (2011).
Keywords: H3 Book chapter; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
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Xu B (2011) Magnetic, calorimetric and electronic properties of vortex states in (3D) mesoscopic superconductors. Antwerpen
Keywords: Doctoral thesis; Condensed Matter Theory (CMT)
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Tinck S (2011) Numerical simulations of inductively coupled plasmas for applications in the microelectronics industry. Antwerpen
Keywords: Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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Wang W-C (2011) Quantitative analysis of electron exit waves with single atom sensitivity. Antwerpen
Keywords: Doctoral thesis; Electron microscopy for materials research (EMAT)
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Wang B (2011) TEM study of plasticity mechanisms in metals : nanocrystalline Al Pd thin films and bulk bcc Nb. Antwerpen
Keywords: Doctoral thesis; Electron microscopy for materials research (EMAT)
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“Transport in nanostructures”. Magnus W, Carrillo-Nunez H, Sorée B Pan Stanford, S.l. (2011).
Keywords: H3 Book chapter; Condensed Matter Theory (CMT)
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Geurts R (2011) Vortex-antivortex molecules in mesoscopic quantum systems. Antwerpen
Keywords: Doctoral thesis; Condensed Matter Theory (CMT)
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“The browning of stained glass windows : characterization of Mn-corrosion bodies and evaluation of cleaning methods”. Cagno S, Nuyts G, De Vis K, Caen J, Van Mol W, Bongaers E, Pauwels B, Janssens K, (2011)
Keywords: P3 Proceeding; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“The consolidation of cracks in architectural glass and dalle de verre : first assessment of possible adhesives”. De Vis K, Jacobs P, Janssens K, Caen J, (2011)
Keywords: P3 Proceeding; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Virtual underpainting reconstruction from X-ray fluorescence imaging data”. Anitha A, Brasoveanu A, Duarte MF, Hughes SM, Daubechies I, Dik J, Janssens K, Alfeld M, , 1239 (2011)
Keywords: P1 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“In situ study of the parameters quantifying the corrosion in ballast tanks and an evaluation of improving alternative”. de Baere K, Verstraelen H, Lemmens L, Lenaerts S, Potters G, (2011)
Abstract: An in situ study of more than 100 ballast tanks of merchant marine vessels looks to the corrosion process in these tanks from another perspective. The developed corrosion model shows major similarities with earlier studies based on laboratory experiments. The field work exposes the influence of ship construction parameters such as land of construction, coating type and the presence of sacrificial anodes on the corrosion process in the ballast tanks. Possible alternatives for vessels constructed with ordinary grade A steel and coated according to IMO PSPC standards are presented, even though further research is required to come to final conclusions.
Keywords: P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
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Hauchecorne B, Tytgat T, Terrens D, Vanpachtenbeke F, Lenaerts S (2011) Reaction chamber for studying a solid-gas interaction : PCT/EP2011/051075
Keywords: Patent; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
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“About “bulky” links, generated by generalized Möbius-Listing bodies”. Gielis J, Tavkelidze I, Ricci PE page 115 (2011).
Keywords: H3 Book chapter; Sustainable Energy, Air and Water Technology (DuEL)
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“Caracterização dos sistemas iônicos e particulado no reservatório”. Godoi RHM, Bittencourt AVL, Hirata PY, Jafelicci Junior M, dos Reis Neto JM, de Souza Sarkis JE, Zara LF, Van Grieken R page 170 (2011).
Keywords: H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Compositional correlation between pigments found in excavations and on human bones investigated with micro-raman spectrometry and scanning electron microscopy”. Vázquez C, Darchuk L, Stefaniak EA, Van Grieken R, Palacios OR page 13 (2011).
Keywords: H2 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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Hauchecorne B (2011) Development of an FTIR in situ reactor for real time study of surface reactions in photocatalysis. 155 p
Keywords: Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
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“Fourier-like solution of the Dirichlet problem for the Laplace Equation in k-type Gielis domains”. Caratelli D, Gielis J, Ricci PE, Journal of pure and applied mathematics : advances and applications 5, 99 (2011)
Abstract: The interior and exterior Dirichlet problems for the Laplace equation in k-type Gielis domains are analytically addressed by using a suitable Fourier-like technique. A dedicated numerical procedure based on the computer-aided algebra tool Mathematica© is developed in order to validate the proposed approach. In this way, highly accurate approximations of the solution, featuring properties similar to the classical ones, are obtained. Computed results are found to be in good agreement with theoretical findings on Fourier series expansion presented by Carleson.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
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“Integration of analysis techniques of different scales using X ray induced and electron induced X ray spectrometry for applications in preventive conservation and environmental monitoring”. Van Grieken R, Darchuk L, Kontozova V, Potgieter-Vermaak S, van Meel K, Stefaniak E, Worobiec A page 53 (2011).
Abstract: In the past years, and also within the framework of this CRP, we have used a combination of several nuclear and non-nuclear techniques in fundamental research and especially in various applications. Most work has been done with energy-dispersive X ray fluorescence in combination with electron probe X ray microanalysis, but several other more common analysis techniques have been used as well. The applications have included mostly preventive conservation (e.g. characterisation of damaging atmospheric particles in many museums) and environmental monitoring (e.g. for atmospheric particles in relation to their health effects in outdoor and especially indoor environments). Fundamental aspects have been in the optimising of interfaced electron microprobe and Raman microprobe analysis and the evaluation of the potential of such an instrument for atmospheric aerosols; quite a few unexpected and unpredicted problems have appeared in the latter study.
Keywords: H2 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
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“Mapping of toxic vapours on board of tankers”. Jacobs W, Floren E, Luyckx D, Bueken P, van Beeck J, Van Grieken R, (2011)
Keywords: P3 Proceeding; Economics; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Micro-Raman spectroscopy for the analysis of environmental particles”. Potgieter-Vermaak S, Worobiec A, Darchuk L, Van Grieken R page 193 (2011).
Keywords: H1 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
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“Passive samplers for monitoring VOCs in groundwater : prospects related to mass flux measurements”. Verreydt G, Bronders J, van Keer I, Diels L, Vanderauwera P, (2011)
Keywords: P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
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Buysse C (2011) Perovskite capillaries for gas separation in sustainable energy production. 201 p
Keywords: Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
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