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“Dispersion in the wake of a rectangular building : validation of two Reynolds-averaged Navier-Stokes modelling approaches”. Gorlé, C, van Beeck J, Rambaud P, Boundary-layer meteorology 137, 115 (2010). http://doi.org/10.1007/s10546-010-9521-0
Abstract: When modelling the turbulent dispersion of a passive tracer using Reynolds-averaged Navier-Stokes (RANS) simulations, two different approaches can be used. The first consists of solving a transport equation for a scalar, where the governing parameters are the mean velocity field and the turbulent diffusion coefficient, given by the ratio of the turbulent viscosity and the turbulent Schmidt number Sc (t) . The second approach uses a Lagrangian particle tracking algorithm, where the governing parameters are the mean velocity and the fluctuating velocity field, which is determined from the turbulence kinetic energy and the Lagrangian time T (L) . A comparison between the two approaches and wind-tunnel data for the dispersion in the wake of a rectangular building immersed in a neutral atmospheric boundary layer (ABL) is presented. Particular attention was paid to the influence of turbulence model parameters on the flow and concentration field. In addition, an approach to estimate Sc (t) and T (L) based on the calculated flow field is proposed. The results show that applying modified turbulence model constants to enable correct modelling of the ABL improves the prediction for the velocity and concentration fields when the modification is restricted to the region for which it was derived. The difference between simulated and measured concentrations is smaller than 25% or the uncertainty of the data on 76% of the points when solving the transport equation for a scalar with the proposed formulation for Sc (t) , and on 69% of the points when using the Lagrangian particle tracking with the proposed formulation for T (L) .
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.573
Times cited: 16
DOI: 10.1007/s10546-010-9521-0
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“Plasma-based liquefaction of methane: The road from hydrogen production to direct methane liquefaction”. Snoeckx R, Rabinovich A, Dobrynin D, Bogaerts A, Fridman A, Plasma processes and polymers 14, 1600115 (2017). http://doi.org/10.1002/ppap.201600115
Abstract: For the energy industry, a process that is able to transform methane—being the prime component of natural gas—efficiently into a liquid product would be equivalent to a goose with golden eggs. As such it is no surprise that research efforts in this field already date back to the nineteen hundreds. Plasma technology can be considered to be a novel player in this field, but nevertheless one with great potential. Over the past decades this technology has evolved from sole hydrogen production, over indirect methane liquefaction to eventually direct plasma-assisted methane liquefaction processes. An overview of this evolution and these processes is presented, from which it becomes clear that the near future probably lies with the direct two phase plasma-assisted methane liquefaction and the far future with the direct oxidative methane liquefaction.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 16
DOI: 10.1002/ppap.201600115
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“Nanoscale ordering in oxygen deficient quintuple perovskite Sm2-\epsilonBa3+\epsilonFe5O15-\delta : implication for magnetism and oxygen stoichiometry”. Volkova NE, Lebedev OI, Gavrilova LY, Turner S, Gauquelin N, Seikh MM, Caignaert V, Cherepanov VA, Raveau B, Van Tendeloo G, Chemistry of materials 26, 6303 (2014). http://doi.org/10.1021/cm503276p
Abstract: The investigation of the system SmBaFe-O in air has allowed an oxygen deficient perovskite Sm2-epsilon Ba3+epsilon Fe5O15-delta (delta = 0.75, epsilon = 0.125) to be synthesized. In contrast to the XRPD pattern which gives a cubic symmetry (a(p) = 3.934 angstrom), the combined HREM/EELS study shows that this phase is nanoscale ordered with a quintuple tetragonal cell, a(p) X a(p) X 5(ap). The nanodomains exhibit a unique stacking sequence of the A-site cationic layers along the crystallographic c-axis, namely SmBaBa/SmBa/SmBaSm, and are chemically twinned in the three crystallographic directions. The nanoscale ordering of this perovskite explains its peculiar magnetic properties on the basis of antiferromagnetic interactions with spin blockade at the boundary between the nanodomains. The variation of electrical conductivity and oxygen content of this oxide versus temperature suggest potential SOFC applications. They may be related to the particular distribution of oxygen vacancies in the lattice and to the 3d(5)(L) under bar configuration of iron.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 16
DOI: 10.1021/cm503276p
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“Investigation of stacking disorder in Li2SnO3”. Tarakina NV, Denisova TA, Maksimova LG, Baklanova YV, Tyutyunnik AP, Berger IF, Zubkov VG, Van Tendeloo G, Zeitschrift für Kristallographie , 375 (2009). http://doi.org/10.1524/zksu.2009.0055
Abstract: A crystal structure investigation of the low temperature Li2SnO3 modification has been carried out. X-ray, neutron powder and electron diffraction data showed that this compound crystallizes in a monoclinic unit cell with parameters: a = 5.3033(2)Å, b = 9.1738(3)Å, c = 10.0195(2)Å, β ~ 100.042(2)º and has stacking disorder along the c-axis. Simulation of diffraction patterns with different stacking faults mainly reveal the presence of rotational stacking faults with a probability of about 40% .
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 16
DOI: 10.1524/zksu.2009.0055
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“Ge40.0Te5.3I8: synthesis, crystal structure, and properties of a new clathrate-I compound”. Kovnir KA, Abramchuk NS, Zaikina JV, Baitinger M, Burkhardt U, Schnelle W, Olenev AV, Lebedev OI, Van Tendeloo G, Dikarev EV, Shevelkov AV, Zeitschrift für Kristallographie 221, 527 (2006). http://doi.org/10.1524/zkri.2006.221.5-7.527
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.179
Times cited: 16
DOI: 10.1524/zkri.2006.221.5-7.527
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“Ferroelastic orientation states and domain walls in lead phosphate type crystals”. Bismayer U, Mathes D, Bosbach D, Putnis A, Van Tendeloo G, Novak J, Salje EKH, Mineralogical magazine 64, 233 (2000). http://doi.org/10.1180/002646100549328
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.285
Times cited: 16
DOI: 10.1180/002646100549328
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“Retrieving the dielectric function of diamond from valence electron energy-loss spectroscopy”. Zhang L, Erni R, Verbeeck J, Van Tendeloo G, Physical review : B : condensed matter and materials physics 77, 195119 (2008). http://doi.org/10.1103/PhysRevB.77.195119
Abstract: A data-acquisition and data-processing method is proposed that aims at minimizing the effect of retardation on the Kramers-Kronig analysis of valence electron energy-loss spectra. This method is applied to diamond, which, due to its high dielectric constant, is a material that shows strong retardation effects and thus is a challenging material to be studied by valence electron energy-loss spectroscopy. The results obtained show a significant improvement but still show small discrepancies with respect to optical data, which are most likely due to the residual retardation contributions and the fact that nonzero momentum transfers are measured.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 16
DOI: 10.1103/PhysRevB.77.195119
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“Microwave emission from a crystal of molecular magnets: the role of a resonant cavity”. Benedict MG, Földi P, Peeters FM, Physical review : B : condensed matter and materials physics 72, 214430 (2005). http://doi.org/10.1103/PhysRevB.72.214430
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 16
DOI: 10.1103/PhysRevB.72.214430
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“Structure-properties relationship in ferromagnetic superconducting RuSr2GdCu2O8”. Lebedev OI, Van Tendeloo G, Cristiani G, Habermeier H-U, Matveev AT, Physical review : B : condensed matter and materials physics 71, 134523 (2005). http://doi.org/10.1103/PhysRevB.71.134523
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 16
DOI: 10.1103/PhysRevB.71.134523
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“Change in upper airway geometry between upright and supine position during tidal nasal breathing”. Van Holsbeke CS, Verhulst SL, Vos WG, de Backer JW, Vinchurkar SC, Verdonck PR, van Doorn JWD, Nadjmi N, de Backer WA, Journal Of Aerosol Medicine And Pulmonary Drug Delivery 27, 51 (2014). http://doi.org/10.1089/jamp.2012.1010
Keywords: A1 Journal article; Biophysics and Biomedical Physics; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP); Translational Neurosciences (TNW)
Impact Factor: 2.528
Times cited: 16
DOI: 10.1089/jamp.2012.1010
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“Thermal activated rotation of graphene flake on graphene”. Peymanirad F, Singh SK, Ghorbanfekr-Kalashami H, Novoselov KS, Peeters FM, Neek-Amal M, 2D materials 4, 025015 (2017). http://doi.org/10.1088/2053-1583/AA58A4
Abstract: The self rotation of a graphene flake over graphite is controlled by the size, initial misalignment and temperature. Using both ab initio calculations and molecular dynamics simulations, we investigate annealing effects on the self rotation of a graphene flake on a graphene substrate. The energy barriers for rotation and drift of a graphene flake over graphene is found to be smaller than 25 meV/atom which is comparable to thermal energy. We found that small flakes (of about similar to 4 nm) are more sensitive to temperature and initial misorientation angles than larger one (beyond 10 nm). The initial stacking configuration of the flake is found to be important for its dynamics and time evolution of misalignment. Large flakes, which are initially in the AA-or AB-stacking state with small misorientation angle, rotate and end up in the AB-stacking configuration. However small flakes can they stay in an incommensurate state specially when the initial misorientation angle is larger than 2 degrees. Our results are in agreement with recent experiments.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 6.937
Times cited: 16
DOI: 10.1088/2053-1583/AA58A4
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“The origin of Bohm diffusion, investigated by a comparison of different modelling methods”. Bultinck E, Mahieu S, Depla D, Bogaerts A, Journal of physics: D: applied physics 43, 292001 (2010). http://doi.org/10.1088/0022-3727/43/29/292001
Abstract: 'Bohm diffusion' causes the electrons to diffuse perpendicularly to the magnetic field lines. However, its origin is not yet completely understood: low and high frequency electric field fluctuations are both named to cause Bohm diffusion. The importance of including this process in a Monte Carlo (MC) model is demonstrated by comparing calculated ionization rates with particle-in-cell/Monte Carlo collisions (PIC/MCC) simulations. A good agreement is found with a Bohm diffusion parameter of 0.05, which corresponds well to experiments. Since the PIC/MCC method accounts for fast electric field fluctuations, we conclude that Bohm diffusion is caused by fast electric field phenomena.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.588
Times cited: 16
DOI: 10.1088/0022-3727/43/29/292001
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“Functionalization of MWCNTs with atomic nitrogen : electronic structure”. Ruelle B, Felten A, Ghijsen J, Drube W, Johnson RL, Liang D, Erni R, Van Tendeloo G, Dubois P, Hecq M, Bittencourt C;, Journal of physics: D: applied physics 41, 045202 (2008). http://doi.org/10.1088/0022-3727/41/4/045202
Abstract: The changes induced by exposing multi-walled carbon nanotubes (CNTs) to atomic nitrogen were analysed by high-resolution transmission electron microscopy (HRTEM), x-ray and ultraviolet photoelectron spectroscopy. It was found that the atomic nitrogen generated by a microwave plasma effectively grafts chemical groups onto the CNT surface altering the density of valence electronic states. HRTEM showed that the exposure to atomic nitrogen does not significantly damage the CNT surface.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.588
Times cited: 16
DOI: 10.1088/0022-3727/41/4/045202
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“The effect of the magnetic field strength on the sheath region of a dc magnetron discharge”. Bultinck E, Bogaerts A, Journal of physics: D: applied physics 41, 202007 (2008). http://doi.org/10.1088/0022-3727/41/20/202007
Abstract: A 2d3v particle-in-cell/Monte Carlo collisions model was applied to study the influence of the magnetic field strength on the cathode sheath region of a direct current (dc) magnetron discharge. When applying a magnetic field of 520-730 G, the cathode sheath width decreases with magnetic field strength, whereas, if a stronger magnetic field is applied (i. e. from 730 to 2600 G), the sheath width increases. This is explained by studying the structure of the sheath in different magnetic field strengths in terms of the electron and ion densities. The consequences of sheath structure on the sputter deposition process are also investigated. It is found that the magnetic field strength can control the erosion profile and the sputter rate.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.588
Times cited: 16
DOI: 10.1088/0022-3727/41/20/202007
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“Displacive-replacive phase transformation in a Ni62.5Al37.5 phase studies by HREM and microdiffraction”. Muto S, Merk N, Schryvers D, Tanner LE, Philosophical magazine: B: physics of condensed matter: electronic, optical and magnetic properties 67, 673 (1993). http://doi.org/10.1080/13642819308219316
Abstract: The structure of the metastable Ni2Al phase, which has long been a matter of controversy, has been carefully re-examined by means of high-resolution transmission electron microscopy (HREM) and electron microdiffraction. First, it is concluded that theas-quenched NixAl100-x(60 less-than-or-equal-to x less-than-or-equal-to 65) material already exhibits a partial omega-type collapse in a one-dimensional fashion which and is consistent with the anomalous dip in the phonon dispersion curve. Ni2Al precipitates are formed on annealing by thermal decomposition of the high-temperature NixAl100-xB2 phase and still retain the small omega-type shuffle. The amount of displacement in the well developed Ni2Al phase was estimated to be between 20 and 50% of the ideal omega collapse; this was determined by means of a combined technique of HREM and microdiffraction together with dynamical calculations of HREM images and diffraction intensities.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 16
DOI: 10.1080/13642819308219316
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“Spin- and valley-dependent commensurability oscillations and electric-field-induced quantum Hall plateaux in periodically modulated silicene”. Shakouri K, Vasilopoulos P, Vargiamidis V, Hai G-Q, Peeters FM, Applied physics letters 104, 213109 (2014). http://doi.org/10.1063/1.4878509
Abstract: We study the commensurability oscillations in silicene subject to a perpendicular electric field E-z, a weak magnetic field B, and a weak periodic potential V = V-0 cos(Cy); C = 2 pi/a(0) with a(0) its period. The field E-z and/or the modulation lift the spin degeneracy of the Landau levels and lead to spin and valley resolved Weiss oscillations. The spin resolution is maximal when the field E-z is replaced by a periodic one E-z = E-0 cos(Dy); D = 2 pi/b(0), while the valley one is maximal for b(0) = a(0). In certain ranges of B values, the current is fully spin or valley polarized. Additional quantum Hall conductivity plateaux arise due to spin and valley intra-Landau-level transitions. (C) 2014 AIP Publishing LLC.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.411
Times cited: 16
DOI: 10.1063/1.4878509
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“Distribution of fields and charge carriers in cylindrical nanosize silicon-based metal-oxide-semiconductor structures”. Pokatilov EP, Fomin VM, Balaban SN, Gladilin VN, Klimin SN, Devreese JT, Magnus W, Schoenmaker W, Collaert N, van Rossum M, de Meyer K, Journal Of Applied Physics 85, 6625 (1999). http://doi.org/10.1063/1.370171
Keywords: A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Impact Factor: 2.068
Times cited: 16
DOI: 10.1063/1.370171
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“Nanoscale analysis of interfaces in a metal/oxide/oxide trilayer obtained by pulsed laser deposition”. Fix T, Ulhaq-Bouillet C, Colis S, Dinia A, Bertoni G, Verbeeck J, Van Tendeloo G, Applied physics letters 91, 023106 (2007). http://doi.org/10.1063/1.2755699
Abstract: Sr2FeMoO6/SrTiO3/CoFe2 trilayers grown by pulsed laser deposition on SrTiO3 (001) are investigated by transmission electron microscopy and electron energy loss spectroscopy. The stack is epitaxial, independent of whether the CoFe2 electrode is grown at 500 or at 50 degrees C. Thus it is possible to obtain epitaxy near room temperature. The SrTiO3/CoFe2 interface is quite sharp, while the Sr2FeMoO6/SrTiO3 interface presents regions of Fe depletion. The chemical composition of the films is close to the nominal stoichiometries. These results could be useful for the growth of heteroepitaxial devices and magnetic tunnel junctions. (C) 2007 American Institute of Physics.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.411
Times cited: 16
DOI: 10.1063/1.2755699
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“First-principles calculations of the mean inner Coulomb potential for sphalerite type II.VI semiconductors”. Schowalter M, Lamoen D, Kruse P, Gerthsen D, Rosenauer A, Applied Physics Letters 85, 4938 (2004). http://doi.org/10.1063/1.1823598
Keywords: A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Impact Factor: 3.411
Times cited: 16
DOI: 10.1063/1.1823598
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“Structure of epitaxial Ca2Fe2O5 films deposited on different perovskite-type substrates”. Rossell MD, Lebedev OI, Van Tendeloo G, Hayashi N, Terashima T, Takano M, Journal of applied physics 95, 5145 (2004). http://doi.org/10.1063/1.1689003
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.068
Times cited: 16
DOI: 10.1063/1.1689003
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“Quantum transport in a nanosize silicon-on-insulator metal-oxide-semiconductor field effect transistor”. Croitoru MD, Gladilin VN, Fomin VM, Devreese JT, Magnus W, Schoenmaker W, Sorée B, Journal of applied physics 93, 1230 (2003). http://doi.org/10.1063/1.1533108
Keywords: A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
Impact Factor: 2.068
Times cited: 16
DOI: 10.1063/1.1533108
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“Modeling of bombardment induced oxidation of silicon”. de Witte H, Vandervorst W, Gijbels R, Journal of applied physics 89, 3001 (2001). http://doi.org/10.1063/1.1344581
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 16
DOI: 10.1063/1.1344581
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“High resolution electron microscopy and X-ray photoelectron spectroscopy studies of heteroepitaxial SixGe1-x alloys produced through laser induced processing”. Frangis N, van Landuyt J, Lartiprete R, Martelli S, Borsella E, Chiussi S, Castro J, Leon B, Applied physics letters 72, 2877 (1998). http://doi.org/10.1063/1.121487
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.411
Times cited: 16
DOI: 10.1063/1.121487
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“Transmission electron microscopy of NdNiO3 thin films on silicon substrates”. Laffez P, Retoux R, Boullay P, Zaghrioui M, Lacorre P, Van Tendeloo G, European physical journal: applied physics 12, 55 (2000). http://doi.org/10.1051/epjap:2000171
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 0.684
Times cited: 16
DOI: 10.1051/epjap:2000171
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“Preparation, microstructure characterization and catalytic performance of Cu/ZnO and ZnO/Cu composite nanoparticles for liquid phase methanol synthesis”. Sliem MA, Turner S, Heeskens D, Kalidindi SB, Van Tendeloo G, Muhler M, Fischer RA, Physical chemistry, chemical physics 14, 8170 (2012). http://doi.org/10.1039/c2cp40482f
Abstract: Stearate@Cu/ZnO nanocomposite particles with molar ratios of ZnO ∶ Cu = 2 and 5 are synthesized by reduction of the metalorganic Cu precursor [Cu{(OCH(CH3)CH2N(CH3)2)}2] in the presence of stearate@ZnO nanoparticles. In the case of ZnO ∶ Cu = 5, high-angle annular dark field-scanning transmission electron microscopy (HAADF-STEM) combined with electron-energy-loss-spectroscopy (EELS) as well as attenuated total reflection Fourier transform infrared (ATR-IR) spectroscopy are used to localize the small amount of Cu deposited on the surface of 35 nm sized stearate@ZnO particles. For ZnO ∶ Cu = 2, the microstructure of the nanocomposites after catalytic activity testing is characterized by HAADF-STEM techniques. This reveals the construction of large Cu nanoparticles (2050 nm) decorated by small ZnO nanoparticles (35 nm). The catalytic activity of both composites for the synthesis of methanol from syn gas is evaluated.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.123
Times cited: 16
DOI: 10.1039/c2cp40482f
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“Cation ordering within the perovskite block of a six-layer Ruddlesden-Popper oxide from layer-by-layer growth artificial interfaces in complex unit cells”. Yan L, Niu HJ, Duong GV, Suchomel MR, Bacsa J, Chalker PR, Hadermann J, Van Tendeloo G, Rosseinsky MJ, Chemical science 2, 261 (2011). http://doi.org/10.1039/c0sc00482k
Abstract: The (AO)(ABO3)n Ruddlesden-Popper structure is an archetypal complex oxide consisting of two distinct structural units, an (AO) rock salt layer separating an n-octahedra thick perovskite block. Conventional high-temperature oxide synthesis methods cannot access members with n > 3, but low-temperature layer-by-layer thin film methods allow the preparation of materials with thicker perovskite blocks, exploiting high surface mobility and lattice matching with the substrate. This paper describes the growth of an n = 6 member CaO[(CSMO)2(LCMO)2 (CSMO)2] in which the six unit cell perovskite block is sub-divided into two central La0.67Ca0.33MnO3 (LCMO) and two terminal Ca0.85Sm0.15MnO3 (CSMO) layers to allow stabilization of the rock salt layer and variation of the transition metal charge.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 8.668
Times cited: 16
DOI: 10.1039/c0sc00482k
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“Numerical simulation analysis of flow patterns and particle transport in the HEAD laser ablation cell with respect to inductively coupled plasma spectrometry”. Lindner H, Autrique D, Pisonero J, Günther D, Bogaerts A, Journal of analytical atomic spectrometry 25, 295 (2010). http://doi.org/10.1039/b920905k
Abstract: The present study analyses a specific laser ablation cell, the High Efficiency Aerosol Dispersion (HEAD) cell (see J. Pisonero et al., J. Anal. At. Spectrom., 2006, 21, 922931), by means of computational fluid dynamics (CFD) simulations. However, this cell consists of different modular parts, therefore, the results are probably of interest for the further development of other ablation cells. In the HEAD cell, the ablation spot is positioned below an orifice in the ceiling of the sample chamber. The particle transport through this orifice has been analysed for a ceiling height of 0.8 mm. The critical velocity for the onset of particle losses was found to be independent on the ejection angle at the crater spot. The deceleration of the particles can be described as the stopping in an effectively steady gas. Particle losses were negligible in this modular part of the cell at the evaluated laser ablation conditions. The transport efficiency through the Venturi chamber was investigated for different sample gas flow rates. In this case, it was found that small particles were predominantly lost at low flow rates, the large particles at higher flow rates. Making use of the simulation results, it was possible to design a modification of the HEAD cell that results in extremely short calculated washout times. The simulations yielded a signal of less than 10 ms, which was produced by more than 99% of the introduced mass.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.379
Times cited: 16
DOI: 10.1039/b920905k
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“Melting of partially fluorinated graphene : from detachment of fluorine atoms to large defects and random coils”. Singh SK, Costamagna S, Neek-Amal M, Peeters FM, The journal of physical chemistry: C : nanomaterials and interfaces 118, 4460 (2014). http://doi.org/10.1021/JP4109333
Abstract: The melting of fluorographene is very unusual and depends strongly on the degree of fluorination. For temperatures below 1000 K, fully fluorinated graphene (FFG) is thermomechanically more stable than graphene but at T-m approximate to 2800 K FFG transits to random coils which is almost 2 times lower than the melting temperature of graphene, i.e., 5300 K. For fluorinated graphene up to 30% ripples causes detachment of individual F-atoms around 2000 K, while for 40%-60% fluorination large defects are formed beyond 1500 K and beyond 60% of fluorination F-atoms remain bonded to graphene until melting. The results agree with recent experiments on the dependence of the reversibility of the fluorination process on the percentage of fluorination.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 4.536
Times cited: 16
DOI: 10.1021/JP4109333
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“Layered perovskite-like Pb2Fe2O5 structure as a parent matrix for the nucleation and growth of crystallographic shear planes”. Batuk D, Hadermann J, Abakumov A, Vranken T, Hardy A, van Bael M, Van Tendeloo G, Inorganic chemistry 50, 4978 (2011). http://doi.org/10.1021/ic200211x
Abstract: The Pb2Fe2O5 compound with a layered intergrowth structure has been prepared by a solid-state reaction at 700 °C. The incommensurate compound crystallizes in a tetragonal system with a = 3.9037(2) Å, c = 3.9996(4) Å, and q = 0.1186(4)c*, or when treated as a commensurate approximant, a = 3.9047(2) Å, c = 36.000(3) Å, space group I4/mmm. The crystal structure of Pb2Fe2O5 was resolved from transmission electron microscopy data. Atomic coordinates and occupancies of the cation positions were estimated from high-angle annular dark-field scanning transmission electron microscopy data. Direct visualization of the positions of the oxygen atoms was possible using annular bright-field scanning transmission electron microscopy. The structure can be represented as an intergrowth of perovskite blocks and partially disordered blocks with a structure similar to that of the Bi2O2 blocks in Aurivillius-type phases. The A-cation positions at the border of the perovskite block and the cation positions in the Aurivillius-type blocks are jointly occupied by Pb2+ and Fe3+ cations, resulting in a layer sequence along the c axis: PbOFeO2PbOFeO2Pb7/8Fe1/8O1xFe5/8Pb3/8O2Fe5/8Pb3/8. Upon heating, the layered Pb2Fe2O5 structure transforms into an anion-deficient perovskite modulated by periodically spaced crystallographic shear (CS) planes. Considering the layered Pb2Fe2O5 structure as a parent matrix for the nucleation and growth of CS planes allows an explanation of the specific microstructure observed for the CS structures in the PbFeO system.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.857
Times cited: 16
DOI: 10.1021/ic200211x
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“Synthesis, cation ordering, and magnetic properties of the (Sb1-xPbx)2(Mn1-ySby)O4 solid solutions with the Sb2MnO4-type structure”. Abakumov AM, Rozova MG, Antipov EV, Hadermann J, Van Tendeloo G, Lobanov MV, Greenblatt M, Croft M, Tsiper EV, Llobet A, Lokshin KA, Zhao Y, Chemistry of materials 17, 1123 (2005). http://doi.org/10.1021/cm048791h
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 16
DOI: 10.1021/cm048791h
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