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| Author | He, Z.; Lee, C.S.; Maurice, J.-L.; Pribat, D.; Haghi-Ashtiani, P.; Cojocaru, C.S. | ||||
| Title | Vertically oriented nickel nanorod/carbon nanofiber core/shell structures synthesized by plasma-enhanced chemical vapor deposition | Type | A1 Journal article | ||
| Year | 2011 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 49 | Issue  |
14 | Pages | 4710-4718 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Plasma-enhanced chemical vapor deposition, without a nickel-containing gaseous precursor, was used to synthesize continuous nickel (Ni) nanorods inside the hollow cavity of carbon nanofibers (CNFs), thus forming vertically aligned Ni/CNF core/shell structures. Scanning and transmission electron microscopic images indicate that the elongated Ni nanorods originate from the catalyst particles at the tips of the CNFs and that their formation is due to the effect of extrusion induced by the compressive force of the graphene layers during growth. Different from previous work, each vertically-aligned core/shell structure reported is totally isolated from its neighbors. Continuous Ni nanorods are found to separate into smaller ones with increasing growth time, which was ascribed to (i) the limited amount of Ni available in the tip of the CNF, (ii) the polycrystalline nature of the Ni nanorods and (iii) the combined effects of the compressive stresses on the side of the Ni nanorods and of the tensile stress along their axis. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000295308300010 | Publication Date | 2011-06-30 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | 16 | Open Access | |
| Notes | Approved | Most recent IF: 6.337; 2011 IF: 5.378 | |||
| Call Number | UA @ lucian @ c:irua:92782 | Serial | 3841 | ||
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| Author | Khalilov, U.; Bogaerts, A.; Neyts, E.C. | ||||
| Title | Atomic-scale mechanisms of plasma-assisted elimination of nascent base-grown carbon nanotubes | Type | A1 Journal article | ||
| Year | 2017 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 118 | Issue |
118 | Pages | 452-457 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Selective etching allows for obtaining carbon nanotubes with a specific chirality. While plasma-assisted etching has already been used to separate metallic tubes from their semiconducting counterparts, little is known about the nanoscale mechanisms of the etching process. We combine (reactive) molecular dynamics (MD) and force-bias Monte Carlo (tfMC) simulations to study H-etching of CNTs. In particular, during the hydrogenation and subsequent etching of both the carbon cap and the tube, they sequentially transform to different carbon nanostructures, including carbon nanosheet, nanowall, and polyyne chains, before they are completely removed from the surface of a substrate-bound Ni-nanocluster.We also found that onset of the etching process is different in the cases of the cap and the tube, although the overall etching scenario is similar in both cases. The entire hydrogenation/etching process for both cases is analysed in detail, comparing with available theoretical and experimental evidences. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000401120800053 | Publication Date | 2017-03-26 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | 2 | Open Access | OpenAccess |
| Notes | U. K. gratefully acknowledges financial support from the Research Foundation – Flanders (FWO), Belgium (Grant No. 12M1315N). The work was carried out in part using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Centre VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the Universiteit Antwerpen. The authors also thank Prof. A. C. T. van Duin for sharing the ReaxFF code. | Approved | Most recent IF: 6.337 | ||
| Call Number | PLASMANT @ plasmant @ c:irua:141915 | Serial | 4531 | ||
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| Author | Li, L.; Kong, X.; Leenaerts, O.; Chen, X.; Sanyal, B.; Peeters, F.M. | ||||
| Title | Carbon-rich carbon nitride monolayers with Dirac cones : Dumbbell C4N | Type | A1 Journal article | ||
| Year | 2017 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 118 | Issue |
118 | Pages | 285-290 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Two-dimensional (2D) carbon nitride materials play an important role in energy-harvesting, energy-storage and environmental applications. Recently, a new carbon nitride, 2D polyaniline (C3N) was proposed [PNAS 113 (2016) 7414-7419]. Based on the structure model of this C3N monolayer, we propose two new carbon nitride monolayers, named dumbbell (DB) C4N-I and C4N-II. Using first-principles calculations, we systematically study the structure, stability, and band structure of these two materials. In contrast to other carbon nitride monolayers, the orbital hybridization of the C/N atoms in the DB C4N monolayers is sp(3). Remarkably, the band structures of the two DB C4N monolayers have a Dirac cone at the K point and their Fermi velocities (2.6/2.4 x 10(5) m/s) are comparable to that of graphene. This makes them promising materials for applications in high-speed electronic devices. Using a tight-binding model, we explain the origin of the Dirac cone. (C) 2017 Elsevier Ltd. All rights reserved. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000401120800033 | Publication Date | 2017-03-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | 36 | Open Access | |
| Notes | Approved | Most recent IF: 6.337 | |||
| Call Number | UA @ lucian @ c:irua:143726 | Serial | 4588 | ||
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| Author | Titantah, J.T.; Lamoen, D.; Schowalter, M.; Rosenauer, A. | ||||
| Title | Density-functional theory calculations of the electron energy-loss near-edge structure of Li-intercalated graphite | Type | A1 Journal article | ||
| Year | 2009 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 47 | Issue |
10 | Pages | 2501-2510 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| 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. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000268429000025 | Publication Date | 2009-05-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | 12 | Open Access | |
| Notes | Fwo G.0425.05; Esteem 026019 | Approved | Most recent IF: 6.337; 2009 IF: 4.504 | ||
| Call Number | UA @ lucian @ c:irua:77973 | Serial | 638 | ||
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| Author | Felten, A.; Ghijsen, J.; Pireaux, J.-J.; Whelan, C.M.; Liang, D.; Van Tendeloo, G.; Bittencourt, C. | ||||
| Title | Photoemission study of CF4 rf-plasma treated multi-wall carbon nanotubes | Type | A1 Journal article | ||
| Year | 2008 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 46 | Issue |
10 | Pages | 1271-1275 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Multi-wall carbon nanotubes (MWCNTs) were exposed to a CF4 rf-plasma. X-ray photoelectron spectroscopy analysis shows that the treatment effectively grafts fluorine atoms onto the MWCNTs. The fluorine atomic concentration and the nature of the CF bond (semi-ionic or covalent) can be tuned by varying the exposure time. Ultraviolet photoelectron spectroscopy analysis confirms that the valence electronic states are altered by the grafting of fluorine atoms. Characterization with high-resolution transmission electron microscopy reveals that while the plasma treatment does not induce significant etching impact on the CNT-surface, it does increase the number of active sites for gold cluster formation. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000258987500001 | Publication Date | 2008-05-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | 21 | Open Access | |
| Notes | Approved | Most recent IF: 6.337; 2008 IF: 4.373 | |||
| Call Number | UA @ lucian @ c:irua:76481 | Serial | 2612 | ||
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| Author | Dzhurakhalov, A.A.; Peeters, F.M. | ||||
| Title | Structure and energetics of hydrogen chemisorbed on a single graphene layer to produce graphane | Type | A1 Journal article | ||
| Year | 2011 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 49 | Issue |
10 | Pages | 3258-3266 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT); Integrated Molecular Plant Physiology Research (IMPRES) | ||||
| 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. | ||||
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| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000291959300014 | Publication Date | 2011-04-15 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | 46 | Open Access | |
| Notes | ; A.D. thanks M.W. Zhao for a useful correspondence. This work was supported by the Belgian Science Policy (IAP) and the Flemish Science Foundation (FWO-VI). ; | Approved | Most recent IF: 6.337; 2011 IF: 5.378 | ||
| Call Number | UA @ lucian @ c:irua:90877 | Serial | 3275 | ||
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| Author | Ribbens, S.; Meynen, V.; Van Tendeloo, G.; Ke, X.; Mertens, M.; Maes, B.U.W.; Cool, P.; Vansant, E.F. | ||||
| Title | Development of photocatalytic efficient Ti-based nanotubes and nanoribbons by conventional and microwave assisted synthesis strategies | Type | A1 Journal article | ||
| Year | 2008 | Publication | Microporous and mesoporous materials: zeolites, clays, carbons and related materials | Abbreviated Journal | Micropor Mesopor Mat |
| Volume | 114 | Issue |
1/3 | Pages | 401-409 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Organic synthesis (ORSY) | ||||
| Abstract | Titanate nanotubes were prepared via a hydrothermal treatment of TiO2 powders (Riedel De Haen) in a basic solution. Morphology and structure of the prepared samples were characterized by high resolution transmission electron microscopy (HRTEM), selected area electron diffraction (SAED), XRD, FT-Raman spectroscopy, nitrogen sorption and DSC. The photocatalytic activity was evaluated by photocatalytic oxidation of rhodamine 6G. Trititanate nanotubes (TTNT) with inner pore diameters between 4 and 4.2 nm and surface areas up till 360 m(2)/g could be synthesized. The synthesis route was modified by introduction of a calcination step, by applying a lower hydrothermal temperature and microwave irradiation in order to increase the photocatalytic activity of the porous photoactive nanotubular materials. Calcination and a softer hydrothermal treatment led to the formation of anatase without affecting the surface area and nanotubular shape of the samples. In this way, the photocatalytic activity of the original trititanate nanotubes could be significantly increased. By making use of microwave assisted synthesis, the photocatalytic activity call also be increased due to the presence of anatase. However, by applying microwave synthesis, a different structure was obtained, nanoribbons (NR) instead of nanotubcs, resulting in a decrease in surface area and porosity. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000258432100040 | Publication Date | 2008-02-01 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1387-1811; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.615 | Times cited | 47 | Open Access | |
| Notes | Fwo; Crp (Ua) | Approved | Most recent IF: 3.615; 2008 IF: 2.555 | ||
| Call Number | UA @ lucian @ c:irua:69696 | Serial | 683 | ||
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| Author | de Clippel, F.; Harkiolakis, A.; Vosch, T.; Ke, X.; Giebeler, L.; Oswald, S.; Houthoofd, K.; Jammaer, J.; Van Tendeloo, G.; Martens, J.A.; Jacobs, P.A.; Baron, G.V.; Sels, B.F.; Denayer, J.F.M. | ||||
| Title | Graphitic nanocrystals inside the pores of mesoporous silica : synthesis, characterization and an adsorption study | Type | A1 Journal article | ||
| Year | 2011 | Publication | Microporous and mesoporous materials: zeolites, clays, carbons and related materials | Abbreviated Journal | Micropor Mesopor Mat |
| Volume | 144 | Issue |
1/3 | Pages | 120-133 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | This work presents a new carbonsilica hybrid material, denoted as CSM, with remarkable sorption properties. It consists of intraporous graphitic nanocrystals grown in the pores of mesoporous silica. CSM is obtained by a subtle incipient wetness impregnation of Al-containing mesoporous silica with furfuryl alcohol (FA)/hemelitol solutions. Both the volume match of the impregnation solution with that of the silica template pore volume, and the presence of Al3+ in the silica, are crucial to polymerize FA selectively inside the mesopores. Carbonization of the intraporous polymer was then performed by pyrolysis under He up to 1273 K. The resulting CSMs were examined by SEM, HRTEM, 27Al MAS NMR, N2 adsorption, XRD, TGA, TPD, XPS, pycnometry and Raman spectroscopy. Mildly oxidized graphitic-like carbon nanoblocks, consisting of a few graphene-like sheets, were thus identified inside the template mesopores. Random stacking of these carbon crystallites generates microporosity resulting in biporous materials at low carbon content and microporous materials at high carbon loadings. Very narrow pore distributions were obtained when pyrolysis was carried out under slow heating rate, viz. 1 K min−1. Adsorption and shape selective properties of the carbon filled mesoporous silica were studied by performing pulse chromatography and breakthrough experiments, and by measuring adsorption isotherms of linear and branched alkanes. Whereas the parent mesoporous silica shows unselective adsorption, their CSM analogues preferentially adsorb linear alkanes. The sorption capacity and selectivity can be adjusted by changing the pore size of the template or by varying the synthesis conditions. A relation between the carbon crystallites size and the shape selective behaviour of the corresponding CSM for instance is demonstrated. Most interestingly, CSM shows separation factors for linear and branched alkanes up to values comparable to those of zeolitic molecular sieves. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000293435400016 | Publication Date | 2011-04-15 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1387-1811; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.615 | Times cited | 15 | Open Access | |
| Notes | Approved | Most recent IF: 3.615; 2011 IF: 3.285 | |||
| Call Number | UA @ lucian @ c:irua:92325 | Serial | 1380 | ||
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| Author | Verlooy, P.L.H.; Robeyns, K.; van Meervelt, L.; Lebedev, O.I.; Van Tendeloo, G.; Martens, J.A.; Kirschhock, C.E.A. | ||||
| Title | Synthesis and characterization of the new cyclosilicate hydrate (hexamethyleneimine)4.[Si8O16(OH)4].12H2O | Type | A1 Journal article | ||
| Year | 2010 | Publication | Microporous and mesoporous materials: zeolites, clays, carbons and related materials | Abbreviated Journal | Micropor Mesopor Mat |
| Volume | 130 | Issue |
1/3 | Pages | 14-20 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | A new cyclosilicate hydrate with composition (C6H14N)4·[Si8O16(OH)4]·12H2O was crystallized and the structure determined by single-crystal X-ray diffraction. The structure, described by the tetragonal space group I41/a, with unit cell dimensions of a = 39.2150(2) Å and c = 14.1553(2) Å, contains columns of hydrogen-bonded cubic octamer silicate anions. The space between silicate columns holds hydrogen-bonded water and protonated hexamethyleneimine molecules compensating the negative charge of the silicate. The crystal water can be removed resulting in a rearrangement of the columns into orthorhombic symmetry. Removal of the organic moiety causes amorphisation. Flash evacuation results in a new microporous material with pore volumes typical of a zeolite. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000275702600003 | Publication Date | 2009-10-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1387-1811; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.615 | Times cited | 5 | Open Access | |
| Notes | Approved | Most recent IF: 3.615; 2010 IF: 3.220 | |||
| Call Number | UA @ lucian @ c:irua:82448 | Serial | 3418 | ||
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| Author | Seftel, E.M.; Popovici, E.; Mertens, M.; de Witte, K.; Van Tendeloo, G.; Cool, P.; Vansant, E.F. | ||||
| Title | Zn-Al layered double hydroxides: synthesis, characterization and photocatalytic application | Type | A1 Journal article | ||
| Year | 2008 | Publication | Microporous and mesoporous materials: zeolites, clays, carbons and related materials | Abbreviated Journal | Micropor Mesopor Mat |
| Volume | 113 | Issue |
1/3 | Pages | 296-304 |
| Keywords | A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Electron microscopy for materials research (EMAT) | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000257362100035 | Publication Date | 2007-12-05 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1387-1811; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.615 | Times cited | 154 | Open Access | |
| Notes | Approved | Most recent IF: 3.615; 2008 IF: 2.555 | |||
| Call Number | UA @ lucian @ c:irua:68281 | Serial | 3934 | ||
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| Author | van Oers, C.J.; Stevens, W.J.J.; Bruijn, E.; Mertens, M.; Lebedev, O.I.; Van Tendeloo, G.; Meynen, V.; Cool, P. | ||||
| Title | Formation of a combined micro- and mesoporous material using zeolite Beta nanoparticles | Type | A1 Journal article | ||
| Year | 2009 | Publication | Microporous and mesoporous materials: zeolites, clays, carbons and related materials | Abbreviated Journal | Micropor Mesopor Mat |
| Volume | 120 | Issue |
1/2 | Pages | 29-34 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) | ||||
| Abstract | Composite micro- and mesoporous materials are synthesized using zeolite Beta nanoparticles without the need for a structure directing agent to form the mesopores. This leads to important ecological and economical advantages. The influence of the way of cooling the aged nanoparticles solution on the formation of the composite materials has been studied. The materials have been characterized towards porosity by N2-sorption, towards zeolitic properties by TGA, DRIFT, XRD and TEM, towards aluminium content by EPMA. All prepared structures possess zeolitic properties. However, the method of cooling down of the aged seeds leads to differences in the porosity and intensity of the zeolitic characteristics. | ||||
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| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000264619200006 | Publication Date | 2008-09-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1387-1811; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.615 | Times cited | 42 | Open Access | |
| Notes | Crp; Sfr Ua | Approved | Most recent IF: 3.615; 2009 IF: 2.652 | ||
| Call Number | UA @ lucian @ c:irua:74950 | Serial | 1254 | ||
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| Author | Seftel, E.M.; Popovici, E.; Mertens, M.; Van Tendeloo, G.; Cool, P.; Vansant, E. | ||||
| Title | The influence of the cationic ratio on the incorporation of Ti4+ in the brucite-like sheets of layered double hydroxides | Type | A1 Journal article | ||
| Year | 2008 | Publication | Microporous and mesoporous materials: zeolites, clays, carbons and related materials | Abbreviated Journal | Micropor Mesopor Mat |
| Volume | 111 | Issue |
1-3 | Pages | 12-17 |
| Keywords | A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Electron microscopy for materials research (EMAT) | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000255847100004 | Publication Date | 2007-07-17 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1387-1811; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.615 | Times cited | 29 | Open Access | |
| Notes | Approved | Most recent IF: 3.615; 2008 IF: 2.555 | |||
| Call Number | UA @ lucian @ c:irua:69136 | Serial | 1644 | ||
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| Author | Verberck, B.; Nikolaev, A.V.; Michel, K.H. | ||||
| Title | Theoretical model for the structural phase transition and the metal-insulator transition in polymerized KC60 | Type | A1 Journal article | ||
| Year | 2004 | Publication | Fullerenes, nanotubes, and carbon nanostructures T2 – 6th Biennial International Workshop on Fullerenes and Atomic Clusters, JUN 30-JUL 04, 2003, St Petersburg, RUSSIA | Abbreviated Journal | Fuller Nanotub Car N |
| Volume | 12 | Issue |
1-2 | Pages | 243-252 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | The recently discovered structural phase transition in Polymerized KC60 at about 50K leads to a doubling of the unit cell volume and is accompanied by a metal-insulator transition. Here, we show that the ((a) over right arrow + (c) over right arrow, (b) over right arrow, (a) over right arrow – (c) over right arrow) superstructure results from orientational charge density waves along the polymer chains and correlated displacements of the K+ ions. The presented model can also account for the metal-insulator transition. The effect is specific for the space group Pmnn of KC60 and is absent in both Rb- and CsC60 (space group 12/m), in agreement with the present experimental knowledge of these compounds. | ||||
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| Language | Wos | 000220551600040 | Publication Date | 2004-03-15 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1536-383X;1536-4046; | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 1.35 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 1.35; 2004 IF: 1.117 | |||
| Call Number | UA @ lucian @ c:irua:103259 | Serial | 3607 | ||
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| Author | Tikhomirov, A.S.; Sorokina, N.E.; Shornikova, O.N.; Morozov, V.A.; Van Tendeloo, G.; Avdeev, V.V. | ||||
| Title | The chemical vapor infiltration of exfoliated graphite to produce carbon/carbon composites | Type | A1 Journal article | ||
| Year | 2011 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 49 | Issue |
1 | Pages | 147-153 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| 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 | ||||
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| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000284977500021 | Publication Date | 2010-09-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | 7 | Open Access | |
| Notes | Iap | Approved | Most recent IF: 6.337; 2011 IF: 5.378 | ||
| Call Number | UA @ lucian @ c:irua:99185 | Serial | 354 | ||
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| Author | Savchenko, D.V.; Serdan, A.A.; Morozov, V.A.; Van Tendeloo, G.; Ionov, S.G. | ||||
| Title | Improvement of the oxidation stability and the mechanical properties of flexible graphite foil by boron oxide impregnation | Type | A1 Journal article | ||
| Year | 2012 | Publication | New carbon materials | Abbreviated Journal | |
| Volume | 27 | Issue |
1 | Pages | 12-18 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Flexible graphite foil produced by rolling expanded graphite impregnated with boron oxide was analyzed by laser mass spectroscopy, X-ray photoelectron spectroscopy, scanning electron microscopy and thermogravimetry. It was shown that the modification of the graphite foil by boron oxide increases the onset temperature of oxidation by ∼ 150 °C. Impregnation of less than 2 mass% boron oxide also increased the tensile strength of the materials. The observed improvement was attributed to the blocking of active sites by boron oxide, which is probably chemically bonded to the edges of graphene sheets in expanded graphite particles. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000304742100002 | Publication Date | 2012-03-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1872-5805; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 5 | Open Access | ||
| Notes | Iap | Approved | Most recent IF: NA | ||
| Call Number | UA @ lucian @ c:irua:96958 | Serial | 1569 | ||
| Permanent link to this record | |||||
| Author | de Witte, K.; Busuioc, A.M.; Meynen, V.; Mertens, M.; Bilba, N.; Van Tendeloo, G.; Cool, P.; Vansant, E.F. | ||||
| Title | Influence of the synthesis parameters of TiO2-SBA-15 materials on the adsorption and photodegradation of rhodamine-6G | Type | A1 Journal article | ||
| Year | 2008 | Publication | Microporous and mesoporous materials: zeolites, clays, carbons and related materials | Abbreviated Journal | Micropor Mesopor Mat |
| Volume | 110 | Issue |
1 | Pages | 100-110 |
| Keywords | A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Electron microscopy for materials research (EMAT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000254056200013 | Publication Date | 2007-10-02 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1387-1811; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.615 | Times cited | 54 | Open Access | |
| Notes | Approved | Most recent IF: 3.615; 2008 IF: 2.555 | |||
| Call Number | UA @ lucian @ c:irua:68280 | Serial | 1654 | ||
| Permanent link to this record | |||||
| Author | Stevens, W.J.J.; Meynen, V.; Bruijn, E.; Lebedev, O.I.; Van Tendeloo, G.; Cool, P.; Vansant, E.F. | ||||
| Title | Mesoporous material formed by acidic hydrothermal assembly of silicalite-1 precursor nanoparticles in the absence of meso-templates | Type | A1 Journal article | ||
| Year | 2008 | Publication | Microporous and mesoporous materials: zeolites, clays, carbons and related materials | Abbreviated Journal | Micropor Mesopor Mat |
| Volume | 110 | Issue |
1 | Pages | 77-85 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000254056200010 | Publication Date | 2007-09-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1387-1811; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.615 | Times cited | 21 | Open Access | |
| Notes | Fwo; Crp; Inside-Pores | Approved | Most recent IF: 3.615; 2008 IF: 2.555 | ||
| Call Number | UA @ lucian @ c:irua:68229 | Serial | 1998 | ||
| Permanent link to this record | |||||
| Author | Felten, A.; Bittencourt, C.; Colomer, J.-F.; Van Tendeloo, G.; Pireaux, J.-J. | ||||
| Title | Nucleation of metal clusters on plasma treated multi wall carbon nanotubes | Type | A1 Journal article | ||
| Year | 2007 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 45 | Issue |
1 | Pages | 110-116 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000243583300017 | Publication Date | 2006-09-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | 40 | Open Access | |
| Notes | Approved | Most recent IF: 6.337; 2007 IF: 4.260 | |||
| Call Number | UA @ lucian @ c:irua:63033 | Serial | 2389 | ||
| Permanent link to this record | |||||
| Author | Afanasov, I.M.; Morozov, V.A.; Kepman, A.V.; Ionov, S.G.; Seleznev, A.N.; Van Tendeloo, G.; Audeev, V.V. | ||||
| Title | Preparation, electrical and thermal properties of new exfoliated graphite-based composites | Type | A1 Journal article | ||
| Year | 2009 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 47 | Issue |
1 | Pages | 263-270 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Exfoliated graphite samples (EG) with different bulk densities were prepared by the exfoliation of expandable graphite under a thermal shock regime. As a conductive filler, EG has been incorporated successfully into the coal tar pitch matrix by mechanical mixing. The conducting behavior of the composite was interpreted based on the percolation theory. The percolation threshold of the EG/pitch conducting composites at room temperature was as low as 1.5 wt% and did not depend on the bulk density of the EG used. By means of thermogravimetry the improvement of thermal stability of the composites in comparison with pure pitches was detected. The phenomenon was ascribed to heat shielding effect of the EG particles evidenced by matrix-assisted laser desorption/ionization mass spectrometry. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000262143500032 | Publication Date | 2008-10-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | 42 | Open Access | |
| Notes | Iap-Vi | Approved | Most recent IF: 6.337; 2009 IF: 4.504 | ||
| Call Number | UA @ lucian @ c:irua:75767 | Serial | 2701 | ||
| Permanent link to this record | |||||
| Author | Launois, P.; Chorro, M.; Verberck, B.; Albouy, P.-A.; Rouzière, S.; Colson, D.; Forget, A.; Noé, L.; Kataura, H.; Monthioux, M.; Cambedouzou, J. | ||||
| Title | Transformation of C70 peapods into double walled carbon nanotubes | Type | A1 Journal article | ||
| Year | 2010 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 48 | Issue |
1 | Pages | 89-98 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| 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. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000272018800012 | Publication Date | 2009-08-30 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | 27 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 6.337; 2010 IF: 4.896 | ||
| Call Number | UA @ lucian @ c:irua:94389 | Serial | 3696 | ||
| Permanent link to this record | |||||
| Author | Oh, H.; Gennett, T.; Atanassov, P.; Kurttepeli, M.; Bals, S.; Hurst, K.E.; Hirscher, M. | ||||
| Title | Hydrogen adsorption properties of platinum decorated hierarchically structured templated carbons | Type | A1 Journal article | ||
| Year | 2013 | Publication | Microporous and mesoporous materials: zeolites, clays, carbons and related materials | Abbreviated Journal | Micropor Mesopor Mat |
| Volume | 177 | Issue |
Pages | 66-74 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | In this report, the possibility of Pt catalytic activity for the dissociation of hydrogen molecules and subsequent hydrogen adsorption on sucrose templated carbon at ambient temperature has been studied. In order to investigate Pt catalytic effect for hydrogen storage solely, 6.8 wt.% Pt-doped (Pt/TC) and pure templated carbon (TC) possessing almost identical specific surface area (SSA) and pore volume (Vp) have been successfully synthesized. Since both Pt/TC and TC shares for their textural properties (e.g. SSA and Vp), any difference of hydrogen adsorption characteristic and storage capacity can be ascribed to the presence of Pt nanoparticles. Both samples are characterized by various techniques such as powder Xray diffraction, ICP-OES, Raman spectroscopy, transmission electron microscopy, cryogenic thermal desorption spectroscopy, low-pressure high-resolution hydrogen and nitrogen BET and high-pressure hydrogen adsorption isotherms in a Sieverts' apparatus. By applying hydrogen and deuterium isotope mixture, cryogenic thermal desorption spectroscopy point to a Pt catalytic activity for the dissociation of hydrogen molecules. Furthermore, the hydrogen adsorption isotherms at RT indicate an enhancement of the initial hydrogen adsorption kinetics in Pt-doped system. However, the hydrogen storage capacity of Pt/TC exhibits a negligible enhancement with a strong hysteresis, suggesting no connection between the spillover effect and a feasible hydrogen storage enhancement. (C) 2013 Elsevier Inc. All rights reserved. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000322293000012 | Publication Date | 2013-04-28 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1387-1811; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.615 | Times cited | 25 | Open Access | |
| Notes | 262348 ESMI; COST Action MP1103 | Approved | Most recent IF: 3.615; 2013 IF: 3.209 | ||
| Call Number | UA @ lucian @ c:irua:109758 | Serial | 1532 | ||
| Permanent link to this record | |||||
| Author | Ribbens, S.; Beyers, E.; Schellens, K.; Mertens, M.; Ke, X.; Bals, S.; Van Tendeloo, G.; Meynen, V.; Cool, P. | ||||
| Title | Systematic evaluation of thermal and mechanical stability of different commercial and synthetic photocatalysts in relation to their photocatalytic activity | Type | A1 Journal article | ||
| Year | 2012 | Publication | Microporous and mesoporous materials: zeolites, clays, carbons and related materials | Abbreviated Journal | Micropor Mesopor Mat |
| Volume | 156 | Issue |
Pages | 62-72 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) | ||||
| Abstract | The effect of thermal treatment and mechanical stress on the structural and photocatalytic properties of eight different (synthetic and commercial) photocatalysts has been thoroughly investigated. Different mesoporous Ti-based materials were prepared via surfactant based synthesis routes (e.g. Pluronic 123, CTMABr = Cetyltrimethylammonium bromide) or via template-free synthesis routes (e.g. trititanate nanotubes). Also, the stabilizing effect of the NaOH/NH4OH post-treatment on the templated mesoporous materials and their photocatalytic activity was investigated. Furthermore, the thermal and mechanical properties of commercially available titanium dioxides such as P25 Evonik® and Millenium PC500® were studied. The various photocatalysts were analyzed with N2-sorption, X-ray diffraction (XRD), high resolution transmission electron microscopy (HR-TEM), differential scanning calorimetry (DSC) and thermal gravimetric analysis (TGA) to obtain information concerning the specific surface area, pore volume, crystal structure, morphology, phase transitions, etc. In general, results show that the NaOH post-treatment leads to an increased control of the crystallization process during calcination resulting in a higher thermal stability, but at the same time diminishes the photocatalytic activity. Mesoporous materials in which pre-synthesized nanoparticles are used as titania source have the best mechanical stability whereas the mechanical stability of the nanotubes is the most limited. At increased temperatures and pressures, the tested commercial titanium dioxides lose their superior photocatalytic activity caused by a decreased accessibility of the active sites. The observed changes in adsorption capacities and photocatalytic activities cannot be assigned to one single phenomenon. In this respect, it shows the need to define a general/standard method to compare different photocatalysts. Furthermore, it is shown that the photocatalytic properties do not necessarily deteriorate under thermal stress, but can be improved due to crystallization, even though the initial material is (partially) destroyed. It is shown that the usefulness of a specific type of photocatalyst strongly depends on the application and the temperature/pressure to which it needs to resist. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000303625200010 | Publication Date | 2012-02-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1387-1811; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.615 | Times cited | 8 | Open Access | |
| Notes | Fwo | Approved | Most recent IF: 3.615; 2012 IF: 3.365 | ||
| Call Number | UA @ lucian @ c:irua:96910 | Serial | 3466 | ||
| Permanent link to this record | |||||
| Author | van Oers, C.J.; Kurttepeli, M.; Mertens, M.; Bals, S.; Meynen, V.; Cool, P. | ||||
| Title | Zeolite \beta nanoparticles based bimodal structures : mechanism and tuning of the porosity and zeolitic properties | Type | A1 Journal article | ||
| Year | 2014 | Publication | Microporous and mesoporous materials: zeolites, clays, carbons and related materials | Abbreviated Journal | Micropor Mesopor Mat |
| Volume | 185 | Issue |
Pages | 204-212 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) | ||||
| Abstract | Despite great efforts in the research area of zeolite nanoparticles and their use in the synthesis of bimodal materials, still little is known about the impact of the synthesis conditions of the zeolite nanoparticles on its own characteristics, and on the properties and the formation mechanism of the final bimodal materials. A zeolite β nanoparticles solution is applied in a mesotemplate-free synthesis method, and the influence of the hydrothermal ageing temperature of the nanoparticles solution on both the zeolitic and porosity characteristics of the final bimodal material has been studied. Transmission electron microscopy in combination with 3-dimensional reconstructions obtained by electron tomography revealed that the zeolite β nanoparticles are connected by neck-like structures, thus creating a wormhole-like mesoporous material. Considering the zeolitic properties, a clear threshold is observed in the synthesis temperature series at 413 K. Below and at this threshold, the biporous materials show no apparent zeolitic characteristics, although these materials exhibit a more condensed and uniform SiOSi network in comparison to Al-MCF. Synthesis temperatures above the threshold lead to bimodal structures with defined zeolitic properties. Moreover, the dimensions of the nanoparticles are studied by TEM, revealing an increasing particle size with increasing temperature under the threshold of 413 K, which is in agreement with a sol-mechanism. This mechanism is disturbed after the threshold due to the start of the crystallisation process. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000330930400025 | Publication Date | 2013-11-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1387-1811; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.615 | Times cited | 10 | Open Access | OpenAccess |
| Notes | 262348 Esmi | Approved | Most recent IF: 3.615; 2014 IF: 3.453 | ||
| Call Number | UA @ lucian @ c:irua:112501 | Serial | 3930 | ||
| Permanent link to this record | |||||
| Author | Aussems, D.U.B.; Bal, K.M.; Morgan, T.W.; van de Sanden, M.C.M.; Neyts, E.C. | ||||
| Title | Mechanisms of elementary hydrogen ion-surface interactions during multilayer graphene etching at high surface temperature as a function of flux | Type | A1 Journal article | ||
| Year | 2018 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 137 | Issue |
Pages | 527-532 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | In order to optimize the plasma-synthesis and modification process of carbon nanomaterials for applications such as nanoelectronics and energy storage, a deeper understanding of fundamental hydrogengraphite/graphene interactions is required. Atomistic simulations by Molecular Dynamics have proven to be indispensable to illuminate these phenomena. However, severe time-scale limitations restrict them to very fast processes such as reflection, while slow thermal processes such as surface diffusion and molecular desorption are commonly inaccessible. In this work, we could however reach these thermal processes for the first time at time-scales and surface temperatures (1000 K) similar to high-flux plasma exposure experiments during the simulation of multilayer graphene etching by 5 eV H ions. This was achieved by applying the Collective Variable-Driven Hyperdynamics biasing technique, which extended the inter-impact time over a range of six orders of magnitude, down to a more realistic ion-flux of 1023m2s1. The results show that this not only causes a strong shift from predominant ion-to thermally induced interactions, but also significantly affects the hydrogen uptake and surface evolution. This study thus elucidates H ion-graphite/graphene interaction mechanisms and stresses the importance of including long time-scales in atomistic simulations at high surface temperatures to understand the dynamics of the ion-surface system. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000440661700056 | Publication Date | 2018-05-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | 4 | Open Access | Not_Open_Access: Available from 25.05.2020 |
| Notes | DIFFER is part of the Netherlands Organisation for Scientific Research (NWO). K.M.B. is funded as PhD fellow (aspirant) of the FWO-Flanders (Fund for Scientific Research-Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government e department EWI. | Approved | Most recent IF: 6.337 | ||
| Call Number | PLASMANT @ plasmant @c:irua:152172 | Serial | 4993 | ||
| Permanent link to this record | |||||
| Author | Khalilov, U.; Vets, C.; Neyts, E.C. | ||||
| Title | Catalyzed growth of encapsulated carbyne | Type | A1 Journal article | ||
| Year | 2019 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 153 | Issue |
Pages | 1-5 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Carbyne is a novel material of current interest in nanotechnology. As is typically the case for nanomaterials, the growth process determines the resulting properties. While endohedral carbyne has been successfully synthesized, its catalyst and feedstock-dependent growth mechanism is still elusive. We here study the nucleation and growth mechanism of different carbon chains in a Ni-containing double walled carbon nanotube using classical molecular dynamics simulations and first-principles calculations. We find that the understanding the competitive role of the metal catalyst and the hydrocarbon is important to control the growth of 1-dimensional carbon chains, including Ni or H-terminated carbyne. Also, we find that the electronic property of the Ni-terminated carbyne can be tuned by steering the H concentration along the chain. These results suggest catalyst-containing carbon nanotubes as a possible synthesis route for carbyne formation. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000485054200001 | Publication Date | 2019-07-01 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | Open Access | Not_Open_Access | |
| Notes | Fund of Scientific Research Flanders (FWO), Belgium, 12M1318N 1S22516N ; Flemish Supercomputer Centre VSC; Hercules Foundation; Flemish Government; University of Antwerp; The authors gratefully acknowledge the financial support from the Fund of Scientific Research Flanders (FWO), Belgium, Grant numbers 12M1318N and 1S22516N. The work was carried out in part using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Centre VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. | Approved | Most recent IF: 6.337 | ||
| Call Number | PLASMANT @ plasmant @c:irua:160695 | Serial | 5187 | ||
| Permanent link to this record | |||||
| Author | Khalilov, U.; Neyts, E.C. | ||||
| Title | Mechanisms of selective nanocarbon synthesis inside carbon nanotubes | Type | A1 Journal article | ||
| Year | 2021 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 171 | Issue |
Pages | 72-78 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | The possibility of confinement effects inside a carbon nanotube provides new application opportunities, e.g., growth of novel carbon nanostructures. However, the understanding the precise role of catalystfeedstock in the nanostructure synthesis is still elusive. In our simulation-based study, we investigate the Ni-catalyzed growth mechanism of encapsulated carbon nanostructures, viz. double-wall carbon nanotube and graphene nanoribbon, from carbon and hydrocarbon growth precursors, respectively. Specifically, we find that the tube and ribbon growth is determined by a catalyst-vs-feedstock competition effect. We compare our results, i.e., growth mechanism and structure morphology with all available theoretical and experimental data. Our calculations show that all encapsulated nanostructures contain metal (catalyst) atoms and such structures are less stable than their pure counterparts. Therefore, we study the purification mechanism of these structures. In general, this study opens a possible route to the controllable synthesis of tubular and planar carbon nanostructures for today’s nanotechnology. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000598371500009 | Publication Date | 2020-09-02 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 6.337 | Times cited | Open Access | OpenAccess | |
| Notes | Fund of Scientific Research Flanders, 12M1318N ; Universiteit Antwerpen; Flemish Supercomputer Centre; Hercules Foundation; Flemish Government; The authors gratefully acknowledge the financial support from the Fund of Scientific Research Flanders (FWO), Belgium, Grant number 12M1318N. The work was carried out in part using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Centre (VSC), funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA, Belgium. | Approved | Most recent IF: 6.337 | ||
| Call Number | PLASMANT @ plasmant @c:irua:172459 | Serial | 6414 | ||
| Permanent link to this record | |||||
| Author | Fukuhara, S.; Bal, K.M.; Neyts, E.C.; Shibuta, Y. | ||||
| Title | Entropic and enthalpic factors determining the thermodynamics and kinetics of carbon segregation from transition metal nanoparticles | Type | A1 Journal article | ||
| Year | 2021 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 171 | Issue |
Pages | 806-813 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | The free energy surface (FES) for carbon segregation from nickel nanoparticles is obtained from advanced molecular dynamics simulations. A suitable reaction coordinate is developed that can distinguish dissolved carbon atoms from segregated dimers, chains and junctions on the nanoparticle surface. Because of the typically long segregation time scale (up to ms), metadynamics simulations along the developed reaction coordinate are used to construct FES over a wide range of temperatures and carbon concentrations. The FES revealed the relative stability of different stages in the segregation process, and free energy barriers and rates of the individual steps could then be calculated and decomposed into enthalpic and entropic contributions. As the carbon concentration in the nickel nanoparticle increases, segregated carbon becomes more stable in terms of both enthalpy and entropy. The activation free energy of the reaction also decreases with the increase of carbon concentration, which can be mainly attributed to entropic effects. These insights and the methodology developed to obtain them improve our understanding of carbon segregation process across materials science in general, and the nucleation and growth of carbon nanotube in particular. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000598371500084 | Publication Date | 2020-09-25 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | Open Access | OpenAccess | |
| Notes | Scientific Research, 19H02415 ; JSPS, 18J22727 ; Japan Society for the Promotion of Science; JSPS; JSPS; FWO; Research Foundation; Flanders, 12ZI420N ; This work was supported by Grant-in-Aid for Scientific Research (B) (No.19H02415) and Grant-in-Aid for JSPS Research Fellow (No.18J22727) from Japan Society for the Promotion of Science (JSPS), Japan. S.F. was supported by JSPS through the Program for 812 | Approved | Most recent IF: 6.337 | ||
| Call Number | PLASMANT @ plasmant @c:irua:172452 | Serial | 6421 | ||
| Permanent link to this record | |||||
| Author | Kleshch, V.I.; Porshyn, V.; Orekhov, A.S.; Orekhov, A.S.; Lützenkirchen-Hecht, D.; Obraztsov, A.N. | ||||
| Title | Carbon single-electron point source controlled by Coulomb blockade | Type | A1 Journal article | ||
| Year | 2021 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 171 | Issue |
Pages | 154-160 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The Coulomb blockade effect is commonly used in solid state electronics for the control of electron flow at the single-particle level. Potentially, it allows the creation of single-electron point sources demanded for prospective electron microscopy instruments and other vacuum electronics devices. Here we realize this potential via creation of a stable point electron source composed of a carbon nanowire electrically coupled to a diamond nanotip by a tunnel junction. Using energy spectroscopy analysis, we characterize the electrons liberated from the nanometer scale carbon heterostructures in time and energy domains. Our experimental results demonstrate perfect agreement with theory prediction of Coulomb oscillations of the Fermi level in the nanowire and allow to determine the mechanisms of their suppression. Persistence of the oscillations at room temperature, high intensity field emission with currents up to 1 mA, and other characteristics of our emitters are very promising for practical realization of coherent single-electron guns. |
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000598371500018 | Publication Date | 2020-09-06 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | Open Access | OpenAccess | |
| Notes | The work was supported by Russian Science Foundation (Project No. 19-72-10067). | Approved | Most recent IF: 6.337 | ||
| Call Number | EMAT @ emat @c:irua:175013 | Serial | 6670 | ||
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| Author | Veronesi, S.; Pfusterschmied, G.; Fabbri, F.; Leitgeb, M.; Arif, O.; Esteban, D.A.; Bals, S.; Schmid, U.; Heun, S. | ||||
| Title | 3D arrangement of epitaxial graphene conformally grown on porousified crystalline SiC | Type | A1 Journal article | ||
| Year | 2022 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 189 | Issue |
Pages | 210-218 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000760358800008 | Publication Date | 2021-12-17 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 10.9 | Times cited | 3 | Open Access | OpenAccess |
| Notes | Horizon 2020; European Commission; Horizon 2020 Framework Programme; European Research Council, 128 731 019 ; European Research Council, REALNANO 815 128 ; sygmaSB | Approved | Most recent IF: 10.9 | ||
| Call Number | EMAT @ emat @c:irua:186583 | Serial | 6952 | ||
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| Author | da Costa, D.R.; Zarenia, M.; Chaves, A.; Farias, G.A.; Peeters, F.M. | ||||
| Title | Analytical study of the energy levels in bilayer graphene quantum dots | Type | A1 Journal article | ||
| Year | 2014 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 78 | Issue |
Pages | 392-400 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Using the four-band continuum model we derive a general expression for the infinite-mass boundary condition in bilayer graphene. Applying this new boundary condition we analytically calculate the confined states and the corresponding wave functions in a bilayer graphene quantum dot in the absence and presence of a perpendicular magnetic field. Our results for the energy spectrum show an energy gap between the electron and hole states at small magnetic fields. Furthermore the electron (e) and hole (h) energy levels corresponding to the K and K' valleys exhibit the E-K(e(h)) (m) = E-K'(e(h)) (m) symmetry, where m is the angular momentum quantum number. (C) 2014 Elsevier Ltd. All rights reserved. | ||||
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| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000341463900042 | Publication Date | 2014-07-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | 35 | Open Access | |
| Notes | ; This work was financially supported by CNPq, under contract NanoBioEstruturas 555183/2005-0, PRONEX/FUNCAP, CAPES Foundation under the process number BEX 7178/13-1, the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES program Euro-GRAPHENE (project CONGRAN), the Bilateral programme between CNPq and FWO-Vl, and the Brazilian Program Science Without Borders (CsF). We thank M. Ramezani Masir and M. Grujic for helpful comments and discussions. ; | Approved | Most recent IF: 6.337; 2014 IF: 6.196 | ||
| Call Number | UA @ lucian @ c:irua:119280 | Serial | 109 | ||
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