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“Melting transitions in isotropically confined three-dimensional small Coulomb clusters”. Apolinario SWS, Peeters FM, Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics 76, 031107 (2007). http://doi.org/10.1103/PhysRevE.76.031107
Abstract: Molecular dynamic simulations are performed to investigate the melting process of small three-dimensional clusters (i.e., systems with one and two shells) of classical charged particles trapped in an isotropic parabolic potential. The confined particles interact through a repulsive potential. We find that the ground-state configurations for systems with N=6, 12, 13, and 38 particles interacting through a Coulomb potential are magic clusters. Such magic clusters have an octahedral or icosahedral symmetry and are found to have a large stability against intrashell diffusion leading to an intershell melting transition prior to the intrashell and radial melting process. For systems with two shells a local radial melting of subshells is found at low temperatures resulting in a structural transition leading to an increased symmetry of the ordered system. Using Lindemanns criterion the different melting temperatures are determined and the influence of the screening of the interparticle interaction was investigated. A normal mode analysis is performed and some of the normal modes are found to be determinantal for the melting process.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.366
Times cited: 28
DOI: 10.1103/PhysRevE.76.031107
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“Membrane amplitude and triaxial stress in twisted bilayer graphene deciphered using first-principles directed elasticity theory and scanning tunneling microscopy”. Neek-Amal M, Xu P, Qi D, Thibado PM, Nyakiti LO, Wheeler VD, Myers-Ward RL, Eddy CR, Gaskill DK, Peeters FM, Physical review : B : condensed matter and materials physics 90, 064101 (2014). http://doi.org/10.1103/PhysRevB.90.064101
Abstract: Twisted graphene layers produce a moire pattern (MP) structure with a predetermined wavelength for a given twist angle. However, predicting the membrane corrugation amplitude for any angle other than pure AB-stacked or AA-stacked graphene is impossible using first-principles density functional theory (DFT) due to the large supercell. Here, within elasticity theory, we define the MP structure as the minimum-energy configuration, thereby leaving the height amplitude as the only unknown parameter. The latter is determined from DFT calculations for AB-and AA-stacked bilayer graphene in order to eliminate all fitting parameters. Excellent agreement with scanning tunneling microscopy results across multiple substrates is reported as a function of twist angle.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 12
DOI: 10.1103/PhysRevB.90.064101
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“A mercury-based “1201-0201&rdquo, intergrowth HgBa2La2Cu2O8+x: a 53K superconductor”. Huvé, M, Martin C, Van Tendeloo G, Maignan A, Michel C, Hervieu M, Raveau B, Solid state communications 90, 37 (1994)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.897
Times cited: 7
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“A mercury based cuprate with the “2212&rdquo, structure: Hg2-x(Cu,Pr)xBa2PrCu2O8-\delta”. Martin C, Hervieu M, Van Tendeloo G, Goutenoire F, Michel C, Maignan A, Raveau B, Solid state communications 93, 53 (1995)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.897
Times cited: 6
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“A mercury based superconducting cuprate, intergrowth of the 2201 and 1201 structures Tl2HgBa4Cu2O10+y”. Martin C, Huvé, M, Van Tendeloo G, Maignan A, Michel C, Hervieu M, Raveau B, Physica: C : superconductivity 212, 274 (1993)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 0.942
Times cited: 21
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“The merging of silica-surfactant microspheres under hydrothermal conditions”. Liu S, Lebedev OI, Mertens M, Meynen V, Cool P, Van Tendeloo G, Vansant EF, Microporous and mesoporous materials: zeolites, clays, carbons and related materials 116, 141 (2008). http://doi.org/10.1016/j.micromeso.2008.03.034
Abstract: Post-synthesis hydrothermal treatments have been used to improve the quality of MCM-41 materials. In our latest work, merging of surfactant-containing silica microspheres during the hydrothermal treatments was observed. Mechanistic insights and the different stages that are involved in the merging process can be summarized as follows. First, the surfaces of the starting microspheres open up due to the dissolution of silica. Then the dissolved silica species provide mass source for the formation of particle necks connecting two neighboring microspheres. Gradually, surfaces of the starting microspheres are flattened to meet the needs of further growth of the necks. Finally, some chain-like highly-ordered mesoporous structures up to several micrometers are formed. The observed merging of the surfactant-containing microspheres is a re-assembling process, which is under the control of electrostatic force between the dissolved silica species and the surfactant cations. The occluded surfactant cations in the precursor spheres play important roles in the merging process.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Impact Factor: 3.615
Times cited: 5
DOI: 10.1016/j.micromeso.2008.03.034
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“Mesoporous material formed by acidic hydrothermal assembly of silicalite-1 precursor nanoparticles in the absence of meso-templates”. Stevens WJJ, Meynen V, Bruijn E, Lebedev OI, Van Tendeloo G, Cool P, Vansant EF, Microporous and mesoporous materials: zeolites, clays, carbons and related materials 110, 77 (2008). http://doi.org/10.1016/j.micromeso.2007.09.007
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Impact Factor: 3.615
Times cited: 21
DOI: 10.1016/j.micromeso.2007.09.007
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“Mesoscopic field and current compensator based on a hybrid superconductor-ferromagnet structure”. Milošević, MV, Berdiyorov GR, Peeters FM, Physical review letters 95, 147004 (2005). http://doi.org/10.1103/PhysRevLett.95.147004
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 8.462
Times cited: 44
DOI: 10.1103/PhysRevLett.95.147004
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“Mesoscopic samples: the superconducting condensate via the Gross.Pitaevskii scenario”. Shanenko AA, Tempère J, Brosens F, Devreese JT, Solid state communications 131, 409 (2004). http://doi.org/10.1016/j.ssc.2004.03.019
Keywords: A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
Impact Factor: 1.554
Times cited: 1
DOI: 10.1016/j.ssc.2004.03.019
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“Mesoscopic superconducting disks: fluxoids in a box”. Peeters FM, Schweigert VA, Deo PS, Microelectronic engineering 47, 393 (1999). http://doi.org/10.1016/S0167-9317(99)00242-7
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.806
Times cited: 1
DOI: 10.1016/S0167-9317(99)00242-7
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“Mesoscopic superconductors as 'artificial atoms' made from Cooper pairs”. Geim AK, Grigorieva IV, Dubonos SV, Lok JGS, Maan JC, Filippov AE, Peeters FM, Deo PS, Physica: B : condensed matter 249/251, 445 (1998)
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.386
Times cited: 4
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“Mesoseopic ordering in the 0.9 Pb(Mg1/3Nb2/3)O3-0.1 PbTiO3 relaxor ferroelectric : a HRTEM study”. Nistor LC, Ghica C, Van Tendeloo G, Physica status solidi: C: conferences and critical reviews 4, 736 (2007). http://doi.org/10.1002/pssc.200673753
Abstract: We report a microstructural and compositional study of a 90% Pb(Mg1/3Nb2/3)O-3 – 10% PbTiO3 ceramic sample. High resolution transmission electron microscopy (HRTEM) revealed the presence of compositional ordered nano-domains (1 – 4 mn), observable in two specific orientations, [0 (1) over bar 1] and [1 1 (2) over bar]. However, the visibility and the ordering degree of the nano-domains on the HRTEM images are not at all obvious. Fourier filtering of the images clearly revealed the ordered domains. Antiphase boundaries lying in the (111) planes separate them, while (100) and (111) facets separate the ordered domains from the disordered matrix. Their shape is plate-like, not uniformly spread in the disordered matrix. Their average size varies in different regions of the sample, most probably due to a non-uniform distribution of Ti, as observed by energy dispersive X-ray spectroscopy. (c) 2007 WILEY-VCH Verlag GmbH Co. KGaA, Weinheim.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 2
DOI: 10.1002/pssc.200673753
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“Metal-assisted secondary ion mass spectrometry: the influence of Ag and Au deposition on molecular ion yields”. Adriaensen L, Vangaever F, Gijbels R, Analytical chemistry 76, 6777 (2004). http://doi.org/10.1021/ac049108d
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 6.32
Times cited: 67
DOI: 10.1021/ac049108d
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“Metal@COFs : covalent organic frameworks as templates for Pd nanoparticles and hydrogen storage properties of Pd@COF-102 hybrid material”. Kalidindi SB, Hyunchul O, Hirscher M, Esken D, Wiktor C, Turner S, Van Tendeloo G, Fischer RA, Chemistry: a European journal 18, 10848 (2012). http://doi.org/10.1002/chem.201201340
Abstract: Three-dimensional covalent organic frameworks (COFs) have been demonstrated as a new class of templates for nanoparticles. Photodecomposition of the [Pd(eta 3-C3H5)(eta 5-C5H5)]@COF-102 inclusion compound (synthesized by a gas-phase infiltration method) led to the formation of the Pd@COF-102 hybrid material. Advanced electron microscopy techniques (including high-angle annular dark-field scanning transmission electron microscopy and electron tomography) along with other conventional characterization techniques unambiguously showed that highly monodisperse Pd nanoparticles ((2.4 +/- 0.5) nm) were evenly distributed inside the COF-102 framework. The Pd@COF-102 hybrid material is a rare example of a metal-nanoparticle-loaded porous crystalline material with a very narrow size distribution without any larger agglomerates even at high loadings (30 wt %). Two samples with moderate Pd content (3.5 and 9.5 wt %) were used to study the hydrogen storage properties of the metal-decorated COF surface. The uptakes at room temperature from these samples were higher than those of similar systems such as Pd@metalorganic frameworks (MOFs). The studies show that the H2 capacities were enhanced by a factor of 2-3 through Pd impregnation on COF-102 at room temperature and 20 bar. This remarkable enhancement is not just due to Pd hydride formation and can be mainly ascribed to hydrogenation of residual organic compounds, such as bicyclopentadiene. The significantly higher reversible hydrogen storage capacity that comes from decomposed products of the employed organometallic Pd precursor suggests that this discovery may be relevant to the discussion of the spillover phenomenon in metal/MOFs and related systems.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 5.317
Times cited: 88
DOI: 10.1002/chem.201201340
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“Metal-decorated multi-wall carbon nanotubes for low temperature gas sensing”. Espinosa EH, Lonescu R, Bittencourt C, Felten A, Erni R, Van Tendeloo G, Pireaux J-J, Llobet E, Thin solid films : an international journal on the science and technology of thin and thick films 515, 8322 (2007). http://doi.org/10.1016/j.tsf.2007.03.017
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.879
Times cited: 86
DOI: 10.1016/j.tsf.2007.03.017
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“Metal to insulator transition in the n-type hollandite vanadate Pb1.6V8O16”. Maignan A, Lebedev OI, Van Tendeloo G, Martin C, Hebert S, Physical review : B : condensed matter and materials physics 82, 035122 (2010). http://doi.org/10.1103/PhysRevB.82.035122
Abstract: The transport and magnetic measurements of polycrystalline Pb1.6V8O16 hollandite reveal a concomitant metal to insulator and antiferromagnetic transition at TMI≈140 K. A clear localization is found below TMI, evidenced by a rapid increase in the absolute value of the negative Seebeck coefficient. The structural study by x-ray and transmission electron microscopy confirms the hollandite structure and shows that no structural transition occurs at TMI, ruling out a possible charge orbital ordering. The negative Seebeck coefficient observed from 50 K up to 900 K, with values reaching S=−38 μV K−1 at 900 K, is explained by the electron doping of ∼1.4e− in the V empty t2g orbitals responsible for the bad metal resistivity (ρ900 K∼2 mΩ cm). As this S value is close to that obtained by considering only the spin and orbital degeneracies, it is expected that |S| for such vanadates will not be sensitive at high temperature to the t2g band filling
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 10
DOI: 10.1103/PhysRevB.82.035122
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“Metallic nanograins : spatially nonuniform pairing induced by quantum confinement”. Croitoru MD, Shanenko AA, Kaun CC, Peeters FM, Physical review : B : condensed matter and materials physics 83, 214509 (2011). http://doi.org/10.1103/PhysRevB.83.214509
Abstract: It is well known that the formation of discrete electron levels strongly influences the pairing in metallic nanograins. Here, we focus on another effect of quantum confinement in superconducting grains that was not studied previously, i.e., spatially nonuniform pairing. This effect is very significant when single-electron levels form bunches and/or a kind of shell structure. We find that, in highly symmetric grains, the order parameter can exhibit variations with position by an order of magnitude. Nonuniform pairing is closely related to a quantum-confinement-induced modification of the pairing-interaction matrix elements and size-dependent pinning of the chemical potential to groups of degenerate or nearly degenerate levels. For illustrative purposes, we consider spherical metallic nanograins and also rectangular shapes. We show that the relevant matrix elements are, as a rule, enhanced in the presence of quantum confinement, which favors spatial variations of the order parameter, compensating the corresponding energy cost. The size-dependent pinning of the chemical potential further increases the spatial variation of the pair condensate. The role of nonuniform pairing is smaller in less symmetric confining geometries and/or in the presence of disorder. However, it always remains of importance when the energy spacing between discrete electron levels δ is approaching the scale of the bulk gap ΔB, i.e., δ>0.10.2 ΔB.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 23
DOI: 10.1103/PhysRevB.83.214509
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“Metallic nanoparticles on plasma treated carbon nanotubes : $Nano2hybrids$”. Bittencourt C, Felten A, Douhard B, Colomer J-F, Van Tendeloo G, Drube W, Ghijsen J, Pireaux J-J, Surface science : a journal devoted to the physics and chemistry of interfaces
T2 –, International Conference on NANO-Structures Self Assembling, JUL 02-06, 2006, Aix en Provence, FRANCE 601, 2800 (2007). http://doi.org/10.1016/j.susc.2006.12.045
Abstract: Multi-wall carbon nanotubes (MWCNTs) were decorated with metal clusters by thermal evaporation. Transmission electron microscopy (TEM) shows that the nature and extent of metal coverage can be varied by plasma treating the MWCNT surface. The metal clusters on oxygen plasma treated arc-discharge MWCNTs have a more dense distribution than the clusters evaporated on as-synthesized are-discharge MWCNTs. In contrast, the plasma treatment did not affect the cluster distribution on CVD MWCNTs. Analyses of the valence band and the core levels by X-ray photoelectron spectroscopy suggest poor charge transfer between gold clusters and MWCNTs; on the contrary suggest good charge transfer between Ni clusters and MWCNTs. (c) 2007 Elsevier B. V. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.062
Times cited: 44
DOI: 10.1016/j.susc.2006.12.045
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“Metals@MOFs –, loading MOFs with metal nanoparticles for hybrid functions”. Meilikhov M, Yusenko K, Esken D, Turner S, Van Tendeloo G, Fischer RA, European journal of inorganic chemistry 2010, 3701 (2010). http://doi.org/10.1002/ejic.201000473
Abstract: Metalorganic frameworks (MOFs) as well as porous coordination polymers (PCPs) are porous, organicinorganic hybrid solids with zeolite-like structures and properties. Due to their extraordinarily high surface area and well defined pore structure MOFs can be used for the stabilization of metal nanoparticles with adjustable size. The embedded metal nanoparticles are still accessible for other reagents due to the high porosity of the MOF systems. This fact makes metal@MOF systems especially interesting for heterogeneous catalysis, gas storage and chemical sensing. This review compiles the cases of metal nanoparticles supported by or embedded into MOFs reported so far and the main aspects and problems associated with these novel nanocomposite systems. The determination of the dispersion and the location of the particles at the MOF support, the control of the loading degree and its effect on the catalytic activity of the system are discussed as well as the partial degradation of the MOF structure upon particle formation. Examples of the introduction of stabilizing groups into the MOF network that direct the loading and can influence the size and shape of the embedded particles are still rare and point into the possible direction of future investigations. Finally, the formation of bimetallic nanoparticles, which are stabilized and supported by a MOF network, will also be reviewed.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.444
Times cited: 366
DOI: 10.1002/ejic.201000473
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“The metastable Ni7\pm xS6 and mixed Ni6\pm x(S1-ySey)5 phases”. Liu Y, Norén L, Withers RL, Hadermann J, Van Tendeloo G, Garcia-Garcia J, Journal of solid state chemistry 170, 351 (2003). http://doi.org/10.1016/S0022-4596(02)00123-8
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.299
Times cited: 5
DOI: 10.1016/S0022-4596(02)00123-8
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“A method to determine the local surface profile from reconstructed exit waves”. Wang A, Chen FR, Van Aert S, van Dyck D, Ultramicroscopy 111, 1352 (2011). http://doi.org/10.1016/j.ultramic.2011.04.005
Abstract: Reconstructed exit waves are useful to quantify unknown structure parameters such as the position and composition of the atom columns at atomic scale. Existing techniques provide a complex wave in a flat plane which is close to the plane where the electrons leave the atom columns. However, due to local deviation in the flatness of the exit surface, there will be an offset between the plane of reconstruction and the actual exit of a specific atom column. Using the channelling theory, it has been shown that this defocus offset can in principle be determined atom column-by-atom column. As such, the surface roughness could be quantified at atomic scale. However, the outcome strongly depends on the initial plane of reconstruction especially in a crystalline structure. If this plane is further away from the true exit, the waves of the atom columns become delocalized and interfere mutually which strongly complicates the interpretation of the exit wave in terms of the local structure. In this paper, we will study the delocalization with defocus using the channelling theory in a more systematic way.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.843
Times cited: 3
DOI: 10.1016/j.ultramic.2011.04.005
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“Methods of structural analysis of modulated structures and quasicrystals”. van Landuyt J, Kuypers S, van Heurck C, Van Tendeloo G, Amelinckx S s.l., page 205 (1993).
Keywords: H3 Book chapter; Electron microscopy for materials research (EMAT)
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“Micro-structure of fullerites and high Tc superconductors”. Van Tendeloo G, Krekels T, Amelinckx S Granada, page 17 (1992).
Keywords: H3 Book chapter; Electron microscopy for materials research (EMAT)
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“Microanalysis of individual silver halide microcrystals”. Wu S, van Daele A, Jacob W, Gijbels R, Verbeeck A, de Keyzer R, Scanning microscopy 7, 17 (1993)
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Times cited: 7
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“Microprobe speciation analysis of inorganic solids by Fourier transform laser mass spectrometry”. Poels K, van Vaeck L, Gijbels R, Analytical chemistry 70, 504 (1998). http://doi.org/10.1021/ac9709108
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 6.32
Times cited: 32
DOI: 10.1021/ac9709108
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“Microscopic mechanisms of vertical graphene and carbon nanotube cap nucleation from hydrocarbon growth precursors”. Khalilov U, Bogaerts A, Neyts EC, Nanoscale 6, 9206 (2014). http://doi.org/10.1039/c4nr00669k
Abstract: Controlling and steering the growth of single walled carbon nanotubes is often believed to require controlling of the nucleation stage. Yet, little is known about the microscopic mechanisms governing the nucleation from hydrocarbon molecules. Specifically, we address here the dehydrogenation of hydrocarbon molecules and the formation of all-carbon graphitic islands on metallic nanoclusters from hydrocarbon molecules under conditions typical for carbon nanotube growth. Employing reactive molecular dynamics simulations, we demonstrate for the first time that the formation of a graphitic network occurs through the intermediate formation of vertically oriented, not fully dehydrogenated graphitic islands. Upon dehydrogenation of these vertical graphenes, the islands curve over the surface, thereby forming a carbon network covering the nanoparticle. The results indicate that controlling the extent of dehydrogenation offers an additional parameter to control the nucleation of carbon nanotubes.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 7.367
Times cited: 21
DOI: 10.1039/c4nr00669k
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“Microscopic model for multiple flux transitions in mesoscopic superconducting loops”. Vodolazov DY, Peeters FM, Hongisto TT, Arutyunov KY, Europhysics letters 75, 315 (2006). http://doi.org/10.1209/epl/i2006-10112-y
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.957
Times cited: 13
DOI: 10.1209/epl/i2006-10112-y
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“Microscopic model of surfaces in orientationally disordered ionic crystals : the (001) surface of KCN”. Zieliński P, Michel KH, Physical review : B : condensed matter and materials physics 46, 4806 (1992). http://doi.org/10.1103/PhysRevB.46.4806
Abstract: The crystallographic structure and the distribution of orientations of molecular ions are studied near the surface in an orientationally disordered crystal with the use of a Green-function formalism. The orientational degrees of freedom are treated by means of symmetry-adapted functions of angular coordinates. The structure of the (001) surface of KCN in its cubic fcc phase is then predicted using the existing data on the interaction of the ions K+ and CN-. A local antiferroelectric and antiferroelastic order i shown to exist in the surface region. The magnitude of the order and the spatial extent of the ordered re ion increase as the temperature approaches the point of the phase transition to the ordered phase. The,influence of the external electric field on the structure of the surface is predicted.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.736
Times cited: 4
DOI: 10.1103/PhysRevB.46.4806
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“Microscopic origin of dimerization in the CuO2 chains in Sr14Cu24O41”. Hiroi Z, Amelinckx S, Van Tendeloo G, Kobayashi N, Physical review : B : condensed matter and materials physics 54, 849 (1996). http://doi.org/10.1103/PhysRevB.54.15849
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.736
Times cited: 33
DOI: 10.1103/PhysRevB.54.15849
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“Microscopic theory of orientational disorder and lattice instability in solid C70”. Callebaut AK, Michel KH, Physical review : B : condensed matter and materials physics 52, 15279 (1995). http://doi.org/10.1103/PhysRevB.52.15279
Abstract: We have developed a microscopic theory which describes the orientational dynamics of C-70 molecules and its coupling to lattice displacements in the face-centered-cubic phase of C-70 fullerite. The single-molecule orientational density distribution in the disordered phase is calculated. The ferroelastic transition to the rhombohedral phase is investigated. The discontinuity of the orientational order parameter at the phase transition is calculated. It is found that the transition leads to a stretching of the primitive unit cell along a [111] cubic direction. A softening of the elastic constant c(44) at the transition is predicted.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.736
Times cited: 20
DOI: 10.1103/PhysRevB.52.15279
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