“Tuning flexoelectricty and electronic properties of zig-zag graphene nanoribbons by functionalization”. Pandey T, Covaci L, Peeters FM, Carbon 171, 551 (2021). http://doi.org/10.1016/J.CARBON.2020.09.028
Abstract: The flexoelectric and electronic properties of zig-zag graphene nanoribbons are explored under mechanical bending using state of the art first principles calculations. A linear dependence of the bending induced out of plane polarization on the applied strain gradient is found. The inferior flexoelectric properties of graphene nanoribbons can be improved by more than two orders of magnitude by hydrogen and fluorine functionalization (CH and CF nanoribbons). A large out of plane flexoelectric effect is predicted for CF nanoribbons. The origin of this enhancement lies in the electro-negativity difference between carbon and fluorine atoms, which breaks the out of plane charge symmetry even for a small strain gradient. The flexoelectric effect can be further improved by co-functionalization with hydrogen and fluorine (CHF Janus-type nanoribbon), where a spontaneous out of plane dipole moment is formed even for flat nanoribbons. We also find that bending can control the charge localization of valence band maxima and therefore enables the tuning of the hole effective masses and band gaps. These results present an important advance towards the understanding of flexoelectric and electronic properties of hydrogen and fluorine functionalized graphene nanoribbons, which can have important implications for flexible electronic applications. (C) 2020 Elsevier Ltd. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Impact Factor: 6.337
Times cited: 15
DOI: 10.1016/J.CARBON.2020.09.028
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“Ball milling effect on the structure of single-wall carbon nanotubes”. Pierard N, Fonseca A, Colomer J-F, Bossuot C, Benoit J-M, Van Tendeloo G, Pirard J-P, Nagy JB, Carbon 42, 1691 (2004). http://doi.org/10.1016/j.carbon.2004.02.031
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 6.337
Times cited: 133
DOI: 10.1016/j.carbon.2004.02.031
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“Plasma enhanced growth of single walled carbon nanotubes at low temperature : a reactive molecular dynamics simulation”. Shariat M, Hosseini SI, Shokri B, Neyts EC, Carbon 65, 269 (2013). http://doi.org/10.1016/j.carbon.2013.08.025
Abstract: Low-temperature growth of carbon nanotubes (CNTs) has been claimed to provide a route towards chiral-selective growth, enabling a host of applications. In this contribution, we employ reactive molecular dynamics simulations to demonstrate how plasma-based deposition allows such low-temperature growth. We first show how ion bombardment during the growth affects the carbon dissolution and precipitation process. We then continue to demonstrate how a narrow ion energy window allows CNT growth at 500 K. Finally, we also show how CNTs in contrast cannot be grown in thermal CVD at this low temperature, but only at high temperature, in agreement with experimental data. (C) 2013 Elsevier Ltd. All rights reserved.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 6.337
Times cited: 21
DOI: 10.1016/j.carbon.2013.08.025
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“Probing the interaction between gold nanoparticles and oxygen functionalized carbon nanotubes”. Suarez-Martinez I, Bittencourt C, Ke X, Felten A, Pireaux JJ, Ghijsen J, Drube W, Van Tendeloo G, Ewels CP, Carbon 47, 1549 (2009). http://doi.org/10.1016/j.carbon.2009.02.002
Abstract: The interaction between evaporated gold and pristine or oxygen plasma treated multi-walled carbon nanotubes (MWCNTs) is investigated. Experimental and theoretical results indicate that gold nucleation occurs at defect sites, whether initially present or introduced by oxygen plasma treatment. Uniform gold cluster dispersion is observed on plasma treated carbon nanotubes (CNTs) and associated with the presence of uniformly dispersed oxidized vacancy centres on the CNT surface.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 6.337
Times cited: 38
DOI: 10.1016/j.carbon.2009.02.002
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“Synthesis of multi-branched porous carbon nanofibers and their application in electrochemical double-layer capacitors”. Tao XY, Zhang XB, Zhang L, Cheng JP, Liu F, Luo JH, Luo ZQ, Geise HJ, Carbon 44, 1425 (2006). http://doi.org/10.1016/j.carbon.2005.11.024
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 6.337
Times cited: 77
DOI: 10.1016/j.carbon.2005.11.024
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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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“sp3/sp2 characterization of carbon materials from first-principles calculations: X-ray photoelectron versus high energy electron energy-loss spectroscopy techniques”. Titantah JT, Lamoen D, Carbon 43, 1311 (2005). http://doi.org/10.1016/j.carbon.2005.01.002
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 6.337
Times cited: 70
DOI: 10.1016/j.carbon.2005.01.002
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“Density-functional theory calculations of the electron energy-loss near-edge structure of Li-intercalated graphite”. Titantah JT, Lamoen D, Schowalter M, Rosenauer A, Carbon 47, 2501 (2009). http://doi.org/10.1016/j.carbon.2009.05.002
Abstract: We have studied the structural and electronic properties of lithium-intercalated graphite (LIG) for various Li content. Atomic relaxation shows that Li above the center of the carbon hexagon in a AAAA stacked graphite is the only stable Li configuration in stage 1 intercalated graphite. Lithium and Carbon 1s energy-loss near-edge structure (ELNES) calculations are performed on the Li-intercalated graphite using the core-excited density-functional theory formulation. Several features of the Li 1s ELNES are correlated with reported experimental features. The ELNES spectra of Li is found to be electron beam orientation sensitive and this property is used to assign the origin of the various Li 1s ELNES features. Information about core-hole screening by the valence electrons and charge transfer in the LIG systems is obtained from the C 1s ELNES and valence charge density difference calculations, respectively.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 6.337
Times cited: 12
DOI: 10.1016/j.carbon.2009.05.002
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“Reduced dimensionality in different forms of carbon”. Van Tendeloo G, Bernaerts D, Amelinckx S, Carbon 36, 487 (1998). http://doi.org/10.1016/S0008-6223(98)00050-5
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 6.337
Times cited: 4
DOI: 10.1016/S0008-6223(98)00050-5
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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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“3D arrangement of epitaxial graphene conformally grown on porousified crystalline SiC”. Veronesi S, Pfusterschmied G, Fabbri F, Leitgeb M, Arif O, Esteban DA, Bals S, Schmid U, Heun S, Carbon 189, 210 (2022). http://doi.org/10.1016/j.carbon.2021.12.042
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 10.9
Times cited: 3
DOI: 10.1016/j.carbon.2021.12.042
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““Harmless&rdquo, carbon tubes around “dangerous&rdquo, asbestos fibres”. Zhang XF, Zhang XB, Van Tendeloo G, Meijer G, Carbon 32, 363 (1994). http://doi.org/10.1016/0008-6223(94)90206-2
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 6.196
Times cited: 2
DOI: 10.1016/0008-6223(94)90206-2
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