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| Author | Verberck, B.; Heresanu, V.; Rouziere, S.; Cambedouzou, J.; Launois, P.; Kovats, E.; Pekker, S.; Vliegenthart, G.A.; Michel, K.H.; Gompper, G. | ||||
| Title | Fullerene-cubane : X-ray scattering experiments and Monte Carlo simulations | Type | A1 Journal article | ||
| Year | 2008 | Publication | Fullerenes, nanotubes, and carbon nanostructures T2 – 8th Biennial International Workshop on Fullerenes and Atomic Clusters, (IWFAC 2007), JUL 02-06, 2007, St Petersburg, RUSSIA | Abbreviated Journal | Fuller Nanotub Car N |
| Volume | 16 | Issue | 5-6 | Pages | 293-300 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | We report single-crystal X-ray diffuse scattering measurements on C-60.C8H8 fullerene-cubane showing that the C-60 molecules are orientationally disordered at 300 and 150K and get ordered at low temperatures. Monte Carlo simulations provide further insight in the orientational behavior of both C-60 and C8H8 molecules; low-temperature molecular orientations are predicted. | ||||
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| Language | Wos | 000259645200003 | Publication Date | 2008-09-28 | |
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| ISSN | 1536-383X;1536-4046; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.35 | Times cited | 6 | Open Access | |
| Notes | Approved | Most recent IF: 1.35; 2008 IF: 0.680 | |||
| Call Number | UA @ lucian @ c:irua:102640 | Serial | 1295 | ||
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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. | ||||
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| Language | Wos | 000304742100002 | Publication Date | 2012-03-21 | |
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| 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 | ||
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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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| Language | Wos | 000255847100004 | Publication Date | 2007-07-17 | |
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| 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 | 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) | ||||
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| Language | Wos | 000254056200013 | Publication Date | 2007-10-02 | |
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| 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 | ||
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| 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) | ||||
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| Language | Wos | 000254056200010 | Publication Date | 2007-09-13 | |
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| 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 | ||
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| Author | Verberck, B.; Cambedouzou, J.; Vliegenthart, G.A.; Gompper, G.; Launois, P. | ||||
| Title | Monte Carlo studies of C60- and C70-peapods | Type | A1 Journal article | ||
| Year | 2012 | Publication | Fullerenes, nanotubes, and carbon nanostructures | Abbreviated Journal | Fuller Nanotub Car N |
| Volume | 20 | Issue | 4/7 | Pages | 371-377 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | We present results of Monte Carlo simulations of chains of C-60 and chains of C-70 molecules encapsulated in a single-walled carbon nanotube (SWCNT). We observe the changes in the configuration of the fullerene molecules when varying tube radius and temperature. In particular, the evolution of the pair correlation functions reveal a transition from linear harmonic chain behavior to a hard-sphere liquid upon heating, demonstrating the possibility of tuning properties of C-60- and C-70@SWCNT peapods with radius and temperature. | ||||
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| Language | Wos | 000304297500015 | Publication Date | 2012-05-14 | |
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| ISSN | 1536-383X;1536-4046; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.35 | Times cited | 1 | Open Access | |
| Notes | ; Helpful discussions with K. H. Michel, P.-A. Albouy and C. Bousige are gratefully acknowledged. This work was financially supported by the Research Foundation-Flanders (FWO-Vl). ; | Approved | Most recent IF: 1.35; 2012 IF: 0.764 | ||
| Call Number | UA @ lucian @ c:irua:99003 | Serial | 2200 | ||
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| Author | Afanasov, I.M.; Lebedev, O.I.; Kolozhvary, B.A.; Smirnov, A.V.,; Van Tendeloo, G. | ||||
| Title | Nickel/carbon composite materials based on expanded graphite | Type | A1 Journal article | ||
| Year | 2011 | Publication | New carbon materials | Abbreviated Journal | |
| Volume | 26 | Issue | 5 | Pages | 335-340 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Monolithic nickel/carbon (Ni/C) composites were prepared from coal tar pitch-impregnated compressed expanded graphite pre-decorated with NiO particles (EGNiO) by pyrolysis at 550 °C and subsequent steam activation at 800 °C. The microstructural arrangement of the Ni-comprising nanoparticles in the composites was investigated using transmission electron microscopy. The specific surface area and porosity of the composites were analyzed by nitrogen adsorption. The catalytic activity of the composites was compared with the material obtained by the conventional H2 treatment of EGNiO using hydrocracking of 2,2,3-trimethylpentane as a model reaction. | ||||
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| Language | Wos | 000296926500003 | Publication Date | 2011-11-12 | |
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| ISSN | 1872-5805; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 7 | Open Access | ||
| Notes | Iap | Approved | Most recent IF: NA | ||
| Call Number | UA @ lucian @ c:irua:93633 | Serial | 2340 | ||
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| Author | Hens, S.C.; Shenderova, O.; Turner, S. | ||||
| Title | Producing photoluminescent species from Sp2 carbons | Type | A1 Journal article | ||
| Year | 2012 | Publication | Fullerenes, nanotubes, and carbon nanostructures | Abbreviated Journal | Fuller Nanotub Car N |
| Volume | 20 | Issue | 4/7 | Pages | 502-509 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The treatment of sp2 carbon materials, including micrographite, nanographite, HOPG, onion-like-carbon, and single-walled carbon nanotubes, in a 3:1 sulfuric to nitric acid mixture produced photoluminescent reaction solutions. These colloidal, aqueous solutions appeared photoluminescently stable under a UV lamp and ranged in color from red to blue. The photoluminescent wavelength shifted to shorter wavelength with increasing reaction time or increasing reaction temperature. Raman spectroscopy showed evidence of defect structures in graphitic residue, and transmission electron microscopy showed unusual structures present in the supernatant including graphitic balls. | ||||
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| Language | Wos | 000304297500039 | Publication Date | 2012-05-14 | |
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| ISSN | 1536-383X;1536-4046; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.35 | Times cited | 4 | Open Access | |
| Notes | Fwo | Approved | Most recent IF: 1.35; 2012 IF: 0.764 | ||
| Call Number | UA @ lucian @ c:irua:98375 | Serial | 2719 | ||
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| Author | Afanasov, I.M.; Van Tendeloo, G.; Mateev, A.T. | ||||
| Title | Production and structure of exfoliated graphite/coke composites modified by ZrO2 nanoparticles | Type | A1 Journal article | ||
| Year | 2010 | Publication | New carbon materials | Abbreviated Journal | |
| Volume | 25 | Issue | 4 | Pages | 255-260 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Exfoliated graphite/coke composites modified by ZrO2 nanoparticles were produced using two different techniques and characterized by means of X-ray diffraction, scanning and transmission electron microscopy. In the first, low-density exfoliated graphite/coke blocks were dipped repeatedly and alternately in ZrO(NO3)2 and NH4OH solutions and subsequently heat treated at 1200°C in nitrogen to deposit thin layers of ZrO2 nanoparticles on the free surfaces of the carbon matrix. In the second, a mixture of expandable graphite, phenol-formaldehyde resin powder, and ZrOC2O4-modified fibrous cellulose in a sealed container was submitted to thermal shock at 900 °C followed by heat treatment at 1 200 °C in nitrogen to obtain the modified composites. The ZrO2 nanoparticles formed in the second technique were incorporated into the composites in three length scales: 6-30 nm-isolated nanoparticles and small blobs, 200-1000 nm-lengthy dendrite-like structures, and thin layer adhering to the surface of the 1-40 μm long cellulose carbon fibers. | ||||
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| Language | Wos | 000281534800003 | Publication Date | 2010-09-02 | |
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| ISSN | 1872-5805; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Iap-Vi | Approved | Most recent IF: NA | ||
| Call Number | UA @ lucian @ c:irua:84438 | Serial | 2721 | ||
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| Author | Van Tendeloo, G.; Bernaerts, D.; Amelinckx, S. | ||||
| Title | Reduced dimensionality in different forms of carbon | Type | P1 Proceeding | ||
| Year | 1998 | Publication | Fullerenes and carbon based materials | Abbreviated Journal | |
| Volume | Issue | Pages | 487-493 | ||
| Keywords | P1 Proceeding; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Several TEM techniques are used to characterise the local structure of low dimensional forms of carbon. HREM is particularly useful to describe the defect structure of thin films of diamond or fullerenes and C-60-C-70 nanoclusters. A columnar form of graphite is analysed, mainly by electron diffraction which allowed us to propose a growth mechanism. Diffraction contrast dark field microscopy, in combination with electron diffraction, allows a detailed characterisation of carbon nanotubes; e.g. the chirality distribution of tubes in ropes of single wall tubes is studied by selected area electron diffraction. (C) 1998 Elsevier Science Ltd. All rights reserved. | ||||
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| Language | Wos | 000079731900002 | Publication Date | 0000-00-00 | |
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| Series Volume | 68 | Series Issue | Edition | ||
| ISSN | 0-444-20512-8 | ISBN | Additional Links | UA library record; WoS full record; | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ lucian @ c:irua:104348 | Serial | 2850 | ||
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| Author | Verberck, B.; Michel, K.H.; Nikolaev, A.V. | ||||
| Title | The C60 molecules in (C60)N@SWCNT peapods: crystal field, intermolecular interactions and dynamics | Type | A1 Journal article | ||
| Year | 2006 | Publication | Fullerenes, nanotubes, and carbon nanostructures | Abbreviated Journal | Fuller Nanotub Car N |
| Volume | 14 | Issue | 2/3 | Pages | 171-178 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
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| Language | Wos | 000238762900006 | Publication Date | 2006-06-08 | |
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| ISSN | 1536-383X;1536-4046; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.35 | Times cited | 10 | Open Access | |
| Notes | Approved | Most recent IF: 1.35; 2006 IF: 0.462 | |||
| Call Number | UA @ lucian @ c:irua:60025 | Serial | 3518 | ||
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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 | |
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| 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 | Tarakina, N.V.; Verberck, B. | ||||
| Title | Tubular fullerenes in carbon nanotubes | Type | A1 Journal article | ||
| Year | 2012 | Publication | Fullerenes, nanotubes, and carbon nanostructures | Abbreviated Journal | Fuller Nanotub Car N |
| Volume | 20 | Issue | 4-7 | Pages | 538-542 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | We investigate the optimal orientations and positions of tubular fullerene molecules C-70, C-80 and C-90 encapsulated in single-walled carbon nanotubes (SWCNTs). We find that increasing the tube radius leads to the following succession of energetically stable regimes: 1) lying molecules positioned on the tube's long axis, 2) tilted molecules on the tube's long axis and 3) lying molecules shifted away from the tube's long axis. In the case of C-70 and C-80 molecules, standing on-axis configurations also occur. Our findings are relevant for the possible application of molecular-orientation-dependent electronic properties of fullerene nanopeapods. | ||||
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| Language | Wos | 000304297500045 | Publication Date | 2012-05-14 | |
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| ISSN | 1536-383X;1536-4046; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.35 | Times cited | Open Access | ||
| Notes | ; This work was financially supported by the Research Foundation – Flanders (FWO-Vl). B. V. is a Postdoctoral Fellow of the Research Foundation-Flanders (FWO-Vl). ; | Approved | Most recent IF: 1.35; 2012 IF: 0.764 | ||
| Call Number | UA @ lucian @ c:irua:99004 | Serial | 3737 | ||
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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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| Language | Wos | 000257362100035 | Publication Date | 2007-12-05 | |
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| 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 | Li, L.; Kong, X.; Peeters, F.M. | ||||
| Title | New nanoporous graphyne monolayer as nodal line semimetal : double Dirac points with an ultrahigh Fermi velocity | Type | A1 Journal article | ||
| Year | 2019 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 141 | Issue | 141 | Pages | 712-718 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Two-dimensional (2D) carbon materials play an important role in nanomaterials. We propose a new carbon monolayer, named hexagonal-4,4,4-graphyne (H-4,H-4,H-4-graphyne), which is a nanoporous structure composed of rectangular carbon rings and triple bonds of carbon. Using first-principles calculations, we systematically studied the structure, stability, and band structure of this new material. We found that its total energy is lower than that of experimentally synthesized beta-graphdiyne and it is stable at least up to 1500 K. In contrast to the single Dirac point band structure of other 2D carbon monolayers, the band structure of H-4,H-4,H-4-graphyne exhibits double Dirac points along the high-symmetry points and the corresponding Fermi velocities (1.04-1.27 x 10(6) m/s) are asymmetric and higher than that of graphene. The origin of these double Dirac points is traced back to the nodal line states, which can be well explained by a tight-binding model. The H-4,H-4,H-4-graphyne forms a moire superstructure when placed on top of a hexagonal boron nitride substrate. These properties make H-4,H-4,H-4-graphyne a promising semimetal material for applications in high-speed electronic devices. (C) 2018 Elsevier Ltd. All rights reserved. | ||||
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| Language | Wos | 000450312600072 | Publication Date | 2018-10-01 | |
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| ISSN | 0008-6223 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | 38 | Open Access | |
| Notes | ; This work was supported by the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl), and the FLAG-ERA project TRANS2DTMD. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government -department EWI. ; | Approved | Most recent IF: 6.337 | ||
| Call Number | UA @ admin @ c:irua:155364 | Serial | 5222 | ||
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| Author | Bafekry, A.; Stampfl, C.; Ghergherehchi, M.; Shayesteh, S.F. | ||||
| Title | A first-principles study of the effects of atom impurities, defects, strain, electric field and layer thickness on the electronic and magnetic properties of the C2N nanosheet | Type | A1 Journal article | ||
| Year | 2020 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 157 | Issue | 157 | Pages | 371-384 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Using the first-principles calculations, we explore the structural and novel electronic/optical properties of the C2N nanosheet. To this goal, we systematically investigate the affect of layer thickness, electrical field and strain on the electronic properties of the C2N nanosheet. By increasing the thickness of C2N, we observed that the band gap decreases. Moreover, by applying an electrical field to bilayer C2N, the band gap decreases and a semiconductor-to-metal transition can occur. Our results also confirm that uniaxial and biaxial strain can effectively alter the band gap of C2N monolayer. Furthermore, we show that the electronic and magnetic properties of C2N can be modified by the adsorption and substitution of various atoms. Depending on the species of embedded atoms, they may induce semiconductor (O, C, Si and Be), metal (S, N, P, Na, K, Mg and Ca), dilute-magnetic semiconductor (H, F, B), or ferro-magnetic-metal (Cl, Li) character in C2N monolayer. It was also found that the inclusion of hydrogen or oxygen impurities and nitrogen vacancies, can induce magnetism in the C2N monolayer. These extensive calculations can be useful to guide future studies to modify the electronic/optical properties of two-dimensional materials. (C) 2019 Elsevier Ltd. All rights reserved. | ||||
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| Language | Wos | 000502548500044 | Publication Date | 2019-10-22 | |
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| ISSN | 0008-6223 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 10.9 | Times cited | 49 | Open Access | |
| Notes | ; This work was supported by the National Research Foundation of Korea grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). We are thankful for comments by Meysam Baghery Tagani from department of physics in University of Guilan and Bohayra Mortazavi from Gottfried Wilhelm Leibniz Universitat Hannover, Hannover, Germany. ; | Approved | Most recent IF: 10.9; 2020 IF: 6.337 | ||
| Call Number | UA @ admin @ c:irua:165024 | Serial | 6283 | ||
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| Author | Bafekry, A.; Yagmurcukardes, M.; Shahrokhi, M.; Ghergherehchi, M. | ||||
| Title | Electro-optical properties of monolayer and bilayer boron-doped C₃N: Tunable electronic structure via strain engineering and electric field | Type | A1 Journal article | ||
| Year | 2020 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 168 | Issue | Pages | 220-229 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | In this work, the structural, electronic and optical properties of monolayer and bilayer of boron doped C3N are investigated by means of density functional theory-based first-principles calculations. Our results show that with increasing the B dopant concentration from 3.1% to 12.5% in the hexagonal pattern, an indirect-to-direct band gap (0.8 eV) transition occurs. Furthermore, we study the effect of electric field and strain on the B doped C3N bilayer (B-C3N@2L). It is shown that by increasing E-field strength from 0.1 to 0.6V/angstrom, the band gap displays almost a linear decreasing trend, while for the > 0.6V/angstrom, we find dual narrow band gap with of 50 meV (in parallel E-field) and 0.4 eV (in antiparallel E-field). Our results reveal that in-plane and out-of-plane strains can modulate the band gap and band edge positions of the B-C3N@2L. Overall, we predict that B-C3N@2L is a new platform for the study of novel physical properties in layered two-dimensional materials (2DM) which may provide new opportunities to realize high-speed low-dissipation devices. (C) 2020 Elsevier Ltd. All rights reserved. | ||||
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| Publisher | Place of Publication |
Editor | |||
| Language | Wos | 000565900900008 | Publication Date | 2020-07-13 | |
| 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 | 21 | Open Access | |
| Notes | ; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government(MSIT) (NRF-2017R1A2B2011989). M. Yagmurcukardes acknowledges Flemish Science Foundation (FWO-VI) by a postdoctoral fellowship. ; | Approved | Most recent IF: 10.9; 2020 IF: 6.337 | ||
| Call Number | UA @ admin @ c:irua:171914 | Serial | 6500 | ||
| Permanent link to this record | |||||
| Author | Chen, X.; Bouhon, A.; Li, L.; Peeters, F.M.; Sanyal, B. | ||||
| Title | PAI-graphene : a new topological semimetallic two-dimensional carbon allotrope with highly tunable anisotropic Dirac cones | Type | A1 Journal article | ||
| Year | 2020 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 170 | Issue | Pages | 477-486 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Using evolutionary algorithm for crystal structure prediction, we present a new stable two-dimensional (2D) carbon allotrope composed of polymerized as-indacenes (PAI) in a zigzag pattern, namely PAI-graphene whose energy is lower than most of the reported 2D allotropes of graphene. Crucially, the crystal structure realizes a nonsymmorphic layer group that enforces a nontrivial global topology of the band structure with two Dirac cones lying perfectly at the Fermi level. The absence of electron/hole pockets makes PAI-graphene a pristine crystalline topological semimetal having anisotropic Fermi velocities with a high value of 7.0 x 10(5) m/s. We show that while the semimetallic property of the allotrope is robust against the application of strain, the positions of the Dirac cone and the Fermi velocities can be modified significantly with strain. Moreover, by combining strain along both the x- and y-directions, two band inversions take place at G leading to the annihilation of the Dirac nodes demonstrating the possibility of strain-controlled conversion of a topological semimetal into a semiconductor. Finally we formulate the bulk-boundary correspondence of the topological nodal phase in the form of a generalized Zak-phase argument finding a perfect agreement with the topological edge states computed for different edge-terminations. (C) 2020 The Author(s). Published by Elsevier Ltd. | ||||
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| Language | Wos | 000579779800047 | Publication Date | 2020-08-21 | |
| 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 | 27 | Open Access | |
| Notes | ; We thank S. Nahas, for helpful discussions. This work is supported by the project grant (2016e05366) and Swedish Research Links program grant (2017e05447) from the Swedish Research Council, the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl), the FLAG-ERA project TRANS 2D TMD. Linyang Li acknowledges financial support from the Natural Science Foundation of Hebei Province (Grant No. A2020202031). X.C. thanks China scholarship council for financial support (No. 201606220031). X.C. and B.S. acknowledge SNIC-UPPMAX, SNIC-HPC2N, and SNIC-NSC centers under the Swedish National Infrastructure for Computing (SNIC) resources for the allocation of time in high-performance supercomputers. Moreover, supercomputing resources from PRACE DECI-15 project DYNAMAT are gratefully acknowledged. ; | Approved | Most recent IF: 10.9; 2020 IF: 6.337 | ||
| Call Number | UA @ admin @ c:irua:173513 | Serial | 6577 | ||
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| Author | Pandey, T.; Covaci, L.; Peeters, F.M. | ||||
| Title | Tuning flexoelectricty and electronic properties of zig-zag graphene nanoribbons by functionalization | Type | A1 Journal article | ||
| Year | 2021 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 171 | Issue | Pages | 551-559 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| 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. | ||||
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| Language | Wos | 000598371500058 | Publication Date | 2020-09-17 | |
| 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 | 6.337 | Times cited | 11 | Open Access | OpenAccess |
| Notes | ; The computational resources and services used for the first-principles calculations in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Flemish Science Foundation (FWO-VI). T. P. is supported by a postdoctoral research fellowship from BOF-UAntwerpen. ; | Approved | Most recent IF: 6.337 | ||
| Call Number | UA @ admin @ c:irua:175014 | Serial | 6700 | ||
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| Author | Dehdast, M.; Valiollahi, Z.; Neek-Amal, M.; Van Duppen, B.; Peeters, F.M.; Pourfath, M. | ||||
| Title | Tunable natural terahertz and mid-infrared hyperbolic plasmons in carbon phosphide | Type | A1 Journal article | ||
| Year | 2021 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 178 | Issue | Pages | 625-631 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Hyperbolic polaritons in ultra thin materials such as few layers of van derWaals heterostructures provide a unique control over light-matter interaction at the nanoscale and with various applications in flat optics. Natural hyperbolic surface plasmons have been observed on thin films of WTe2 in the light wavelength range of 16-23 mu m (similar or equal to 13-18 THz) [Nat. Commun. 11, 1158 (2020)]. Using time-dependent density functional theory, it is found that carbon doped monolayer phosphorene (beta-allotrope of carbon phosphide monolayer) exhibits natural hyperbolic plasmons at frequencies above similar or equal to 5 THz which is not observed in its parent materials, i.e. monolayer of black phosphorous and graphene. Furthermore, we found that by electrostatic doping the plasmonic frequency range can be extended to the mid-infrared. (C) 2021 Elsevier Ltd. All rights reserved. | ||||
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| Language | Wos | 000648729800057 | Publication Date | 2021-03-26 | |
| 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 | 6 | Open Access | Not_Open_Access |
| Notes | Approved | Most recent IF: 6.337 | |||
| Call Number | UA @ admin @ c:irua:179033 | Serial | 7039 | ||
| Permanent link to this record | |||||
| Author | Mirzakhani, M.; Myoung, N.; Peeters, F.M.; Park, H.C. | ||||
| Title | Electronic Mach-Zehnder interference in a bipolar hybrid monolayer-bilayer graphene junction | Type | A1 Journal article | ||
| Year | 2023 | Publication | Carbon | Abbreviated Journal | |
| Volume | 201 | Issue | Pages | 734-744 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Graphene matter in a strong magnetic field, realizing one-dimensional quantum Hall channels, provides a unique platform for studying electron interference. Here, using the Landauer-Buttiker formalism along with the tightbinding model, we investigate the quantum Hall (QH) effects in unipolar and bipolar monolayer-bilayer graphene (MLG-BLG) junctions. We find that a Hall bar made of an armchair MLG-BLG junction in the bipolar regime results in valley-polarized edgechannel interferences and can operate a fully tunable Mach-Zehnder (MZ) interferometer device. Investigation of the bar-width and magnetic-field dependence of the conductance oscillations shows that the MZ interference in such structures can be drastically affected by the type of (zigzag) edge termination of the second layer in the BLG region [composed of vertical dimer or non-dimer atoms]. Our findings reveal that both interfaces exhibit a double set of Aharonov-Bohm interferences, with the one between two oppositely valley-polarized edge channels dominating and causing a large amplitude conductance oscillation ranging from 0 to 2e2/h. We explain and analyze our findings by analytically solving the Dirac-Weyl equation for a gated semi-infinite MLG-BLG junction. | ||||
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| Language | Wos | 000868911500004 | Publication Date | 2022-09-28 | |
| 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 | Open Access | Not_Open_Access | |
| Notes | Approved | Most recent IF: 10.9; 2023 IF: 6.337 | |||
| Call Number | UA @ admin @ c:irua:191516 | Serial | 7302 | ||
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| Author | Cao, M.; Xiong, D.-B.; Tan, Z.; Ji, G.; Amin-Ahmadi, B.; Guo, Q.; Fan, G.; Guo, C.; Li, Z.; Zhang, D. | ||||
| Title | Aligning graphene in bulk copper : nacre-inspired nanolaminated architecture coupled with in-situ processing for enhanced mechanical properties and high electrical conductivity | Type | A1 Journal article | ||
| Year | 2017 | Publication | Carbon | Abbreviated Journal | |
| Volume | 117 | Issue | Pages | 65-74 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Methods used to strengthen metals generally also cause a pronounced decrease in ductility and electrical conductivity. In this work a bioinspired strategy is applied to surmount the dilemma. By assembling copper submicron flakes cladded with in-situ grown graphene, graphene/copper matrix composites with a nanolaminated architecture inspired by a natural nacre have been prepared. Owing to a combined effect-from the bioinspired nanolaminated architecture and improved interfacial bonding, a synergy has been achieved between mechanical strength and ductility as well as electrical conductivity in the graphene/copper matrix composites. With a low volume fraction of only 2.5% of graphene, the composite shows a yield strength and elastic modulus similar to 177% and similar to 25% higher than that of unreinforced copper matrix, respectively, while retains ductility and electrical conductivity comparable to that of pure copper. The bioinspired nanolaminated architecture enhances the efficiencies of two-dimensional (2D) graphene in mechanical strengthening and electrical conducting by aligning graphene to maximize performance for required loading and carrier transporting conditions, and toughens the composites by crack deflection. Meanwhile, in-situ growth of graphene is beneficial for improving interfacial bonding and structural quality of graphene. The strategy sheds light on the development of composites with good combined structural and functional properties. (C) 2017 Elsevier Ltd. All rights reserved. | ||||
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| Language | Wos | 000400212100008 | Publication Date | 2017-02-27 | |
| 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 | Times cited | Open Access | |||
| Notes | Approved | no | |||
| Call Number | UA @ admin @ c:irua:152635 | Serial | 7435 | ||
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| Author | Marazzi, E.; Ghojavand, A.; Pirard, J.; Petretto, G.; Charlier, J.-C.; Rignanese, G.-M. | ||||
| Title | Modeling symmetric and defect-free carbon schwarzites into various zeolite templates | Type | A1 Journal article | ||
| Year | 2023 | Publication | Carbon | Abbreviated Journal | |
| Volume | 215 | Issue | Pages | 118385-118389 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Recently, a process has been proposed for generating negatively-curved carbon schwarzites via zeolite-templating (Braun et al., 2018). However, the proposed process leads to atomistic models which are not very symmetric and often rather defective. In the present work, an improved generation approach is developed, by imposing symmetry constraints, which systematically leads to defect-free, hence more stable, schwarzites. The stability of the newly predicted symmetric schwarzites is also compared to that of other carbon nanostructures (in particular carbon nanotubes – CNTs), which could also be accommodated within the same templates. Our results suggest that only a few of these (such as FAU, SBT and SBS) can fit schwarzites more stable than CNTs. Our predictions could help experimentalists in the crucial choice of the template for the challenging synthesis of schwarzites. Furthermore, being highly symmetric and stable phases, the models could also be synthesized by means of other experimental procedures. | ||||
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| Language | Wos | 001078649800001 | Publication Date | 2023-09-04 | |
| 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 | Times cited | Open Access | |||
| Notes | Approved | no | |||
| Call Number | UA @ admin @ c:irua:200314 | Serial | 9057 | ||
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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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| 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 | 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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| Language | Wos | 000440661700056 | Publication Date | 2018-05-24 | |
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| 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 | ||
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| 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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| 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 | ||
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| 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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| 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 | ||
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| 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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| 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 | ||
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| 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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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 | ||
| Permanent link to this record | |||||
| 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) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| 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 | ||
| Permanent link to this record | |||||