Records |
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
Xu, P.; Qi, D.; Schoelz, J.K.; Thompson, J.; Thibado, P.M.; Wheeler, V.D.; Nyakiti, L.O.; Myers-Ward, R.L.; Eddy, C.R.; Gaskill, D.K.; Neek-Amal, M.; Peeters, F.M.; |
Title |
Multilayer graphene, Moire patterns, grain boundaries and defects identified by scanning tunneling microscopy on the m-plane, non-polar surface of SiC |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
Volume |
80 |
Issue |
|
Pages |
75-81 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Epitaxial graphene is grown on a non-polar n(+) 6H-SiC m-plane substrate and studied using atomic scale scanning tunneling microscopy. Multilayer graphene is found throughout the surface and exhibits rotational disorder. Moire patterns of different spatial periodicities are found, and we found that as the wavelength increases, so does the amplitude of the modulations. This relationship reveals information about the interplay between the energy required to bend graphene and the interaction energy, i.e. van der Waals energy, with the graphene layer below. Our experiments are supported by theoretical calculations which predict that the membrane topographical amplitude scales with the Moire pattern wavelength, L as L-1 + alpha L-2. (C) 2014 Elsevier Ltd. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000344132400009 |
Publication Date |
2014-08-19 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.337 |
Times cited |
14 |
Open Access |
|
Notes |
; P.X. and P.M.T. gratefully acknowledge the financial support of ONR under grant N00014-10-1-0181 and NSF under grant DMR-0855358. L.O.N. acknowledges the support of American Society for Engineering Education and Naval Research Laboratory Postdoctoral Fellow Program. Work at the U.S. Naval Research Laboratory is supported by the Office of Naval Research. This work was supported by the Flemish Science Foundation (FWO-Vl), the Methusalem Foundation of the Flemish Government, and the EUROgraphene project CONGRAN. M.N.-A was supported by the EU-Marie Curie IIF postdoc Fellowship 299855. ; |
Approved |
Most recent IF: 6.337; 2014 IF: 6.196 |
Call Number |
UA @ lucian @ c:irua:121194 |
Serial |
2221 |
Permanent link to this record |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000296926500003 |
Publication Date |
2011-11-12 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1872-5805; |
ISBN |
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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 |
Permanent link to this record |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000262143500032 |
Publication Date |
2008-10-14 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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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 |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
Afanasov, I.M.; Shornikova, O.N.; Avdeev, V.V.; Lebedev, O.I.; Van Tendeloo, G.; Matveev, A.T. |
Title |
Expanded graphite as a support for Ni/carbon composites |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
Volume |
47 |
Issue |
2 |
Pages |
513-518 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Expanded graphite decorated with nickel oxide particles (EGNiO) has been synthesized through electrochemical oxidation of natural graphite in an aqueous nickel nitrate solution followed by a heat treatment. EGNiO was used to prepare nickel/carbon composites using two techniques: (a) hydrogen reduction of nickel oxide particles loaded on the expanded graphite surface and (b) pyrolysis of coal tar pitch-impregnated EGNiO blocks. The EGNiO as well as the nickel/carbon composites have been characterized by X-ray diffraction, scanning and transmission electron microscopy, energy dispersive X-ray spectroscopy and selected area electron diffraction. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000262558300018 |
Publication Date |
2008-11-11 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0008-6223; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.337 |
Times cited |
45 |
Open Access |
|
Notes |
Iap-Vi |
Approved |
Most recent IF: 6.337; 2009 IF: 4.504 |
Call Number |
UA @ lucian @ c:irua:76033 |
Serial |
1132 |
Permanent link to this record |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
Afanasov, I.M.; Shornikova, O.N.; Kirilenko, D.A.; Vlasov, I.I.; Zhang, L.; Verbeeck, J.; Avdeev, V.V.; Van Tendeloo, G. |
Title |
Graphite structural transformations during intercalation by HNO3 and exfoliation |
Type |
L1 Letter to the editor |
Year |
2010 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
Volume |
48 |
Issue |
6 |
Pages |
1862-1865 |
Keywords |
L1 Letter to the editor; Electron microscopy for materials research (EMAT) |
Abstract |
Expandable graphite of two types was synthesized by (1) hydrolysis of graphite nitrate of II stage and (2) anodic polarization of graphite in 60% HNO3. Exfoliated graphite samples were produced by thermal shock of expandable graphite samples in air at 900 °C. A comparative study of microstructural distinctions of both expandable and exfoliated graphite samples was carried out using X-ray diffraction, Raman spectroscopy, electron energy loss spectroscopy and high resolution transmission electron microscopy. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000276132800021 |
Publication Date |
2010-02-02 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0008-6223; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.337 |
Times cited |
43 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 6.337; 2010 IF: 4.896 |
Call Number |
UA @ lucian @ c:irua:82315UA @ admin @ c:irua:82315 |
Serial |
1379 |
Permanent link to this record |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000281534800003 |
Publication Date |
2010-09-02 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1872-5805; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
Iap-Vi |
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:84438 |
Serial |
2721 |
Permanent link to this record |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000440661700056 |
Publication Date |
2018-05-24 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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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 |
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 |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000502548500044 |
Publication Date |
2019-10-22 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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 |
Permanent link to this record |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000565900900008 |
Publication Date |
2020-07-13 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0008-6223 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
10.9 |
Times cited |
21 |
Open Access |
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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 |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
Cabana, L.; Ke, X.; Kepić, D.; Oro-Solé, J.; Tobías-Rossell, E.; Van Tendeloo, G.; Tobias, G. |
Title |
The role of steam treatment on the structure, purity and length distribution of multi-walled carbon nanotubes |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
Volume |
93 |
Issue |
93 |
Pages |
1059-1067 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Purification and shortening of carbon nanotubes have attracted a great deal of attention to increase the biocompatibility and performance of the material in several applications. Steam treatment has been employed to afford both purification and shortening of multi-walled carbon nanotubes (MWCNTs). Steam removes the amorphous carbon and the graphitic particles that sheath catalytic nanoparticles, facilitating their removal by a subsequent acidic wash. The amount of metal impurities can be reduced in this manner below 0.01 wt.%. The length distribution of MWCNTs after different steam treatment times (from 1 h to 15 h) was assessed by box plot analysis of the electron microscopy data. Samples with a median length of 0.57 μm have been prepared with the reported methodology while preserving the integrity of the tubular wall structure. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000360292100108 |
Publication Date |
2015-06-23 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0008-6223; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.337 |
Times cited |
17 |
Open Access |
|
Notes |
312483 Esteem2; 290023 Raddel; esteem2_ta |
Approved |
Most recent IF: 6.337; 2015 IF: 6.196 |
Call Number |
c:irua:127691 c:irua:127691 |
Serial |
2921 |
Permanent link to this record |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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 |
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Volume |
117 |
Issue |
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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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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000400212100008 |
Publication Date |
2017-02-27 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0008-6223 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:152635 |
Serial |
7435 |
Permanent link to this record |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
Chemchuen, S.; Zhou, K.; Kabir, N.A.; Chen, Y.; Ke, X.; Van Tendeloo, G.; Verpoort, F. |
Title |
Tuning metal sites of DABCO MOF for gas purification at ambient conditions |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Microporous and mesoporous materials: zeolites, clays, carbons and related materials |
Abbreviated Journal |
Micropor Mesopor Mat |
Volume |
201 |
Issue |
201 |
Pages |
277-285 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Metalorganic frameworks (MOFs) have emerged as new porous materials for capture and separation of binary gas mixtures. Tuning the metal sites in MOF structures has an impact on properties, which enhance affinity of gas adsorption and selectivity (e.g., surface area, cavity, electric field, etc.). The synthesis and characterization of a M-DABCO series (M = Ni, Co, Cu, Zn) of MOFs are described in this study. The experiments were conducted using multicomponent gas mixtures and the Ideal Adsorbed Solution Theory (IAST) was applied to determine the CO2/CH4 selectivity. Experimental adsorption isotherms were fitted with a model equation to evaluate the characteristic adsorption energy (Isosteric, Qst) of this series. The Ni metal in the M-DABCO series reveals the best performance concerning CO2 adsorption and CH4/CO2 selectivity at ambient conditions based on IAST calculations. The combination of characterizations, calculations and adsorption experiments were used to discuss the metal impact on the adsorption sites in the M-DABCO series at ambient conditions. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000345185200030 |
Publication Date |
2014-09-20 |
Series Editor |
|
Series Title |
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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 |
38 |
Open Access |
|
Notes |
246791-Countatoms |
Approved |
Most recent IF: 3.615; 2015 IF: 3.453 |
Call Number |
c:irua:120473 |
Serial |
3748 |
Permanent link to this record |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000579779800047 |
Publication Date |
2020-08-21 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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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 |
10.9 |
Times cited |
43 |
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 |
Permanent link to this record |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
Corthals, S.; van Noyen, J.; Geboers, J.; Vosch, T.; Liang, D.; Ke, X.; Hofkens, J.; Van Tendeloo, G.; Jacobs, P.; Sels, B. |
Title |
The beneficial effect of CO2 in the low temperature synthesis of high quality carbon nanofibers and thin multiwalled carbon nanotubes from CH_{4} over Ni catalysts |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
Volume |
50 |
Issue |
2 |
Pages |
372-384 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A low temperature chemical vapor deposition method is described for converting CH4 into high-quality carbon nanofibers (CNFs) using a Ni catalyst supported on either spinel or perovskite oxides in the presence of CO2. The addition of CO2 has a significant influence on CNF purity and stability, while the CNF diameter distribution is significantly narrowed. Ultimately, the addition of CO2 changes the CNF structure from fishbone fibers to thin multiwalled carbon nanotubes. A new in situ cooling principle taking into account dry reforming chemistry and thermodynamics is introduced to account for the structural effects of CO2. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
|
Language |
|
Wos |
000297397700004 |
Publication Date |
2011-09-01 |
Series Editor |
|
Series Title |
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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 |
26 |
Open Access |
|
Notes |
Iwt; Iap |
Approved |
Most recent IF: 6.337; 2012 IF: 5.868 |
Call Number |
UA @ lucian @ c:irua:93626 |
Serial |
228 |
Permanent link to this record |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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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 |
Permanent link to this record |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000293435400016 |
Publication Date |
2011-04-15 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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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 |
Permanent link to this record |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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 |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000254056200013 |
Publication Date |
2007-10-02 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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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 |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000648729800057 |
Publication Date |
2021-03-26 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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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 |
Not_Open_Access |
Notes |
|
Approved |
Most recent IF: 6.337 |
Call Number |
UA @ admin @ c:irua:179033 |
Serial |
7039 |
Permanent link to this record |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000291959300014 |
Publication Date |
2011-04-15 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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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 |
Permanent link to this record |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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 |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000243583300017 |
Publication Date |
2006-09-27 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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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 |
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 |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000258987500001 |
Publication Date |
2008-05-16 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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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 |
21 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 6.337; 2008 IF: 4.373 |
Call Number |
UA @ lucian @ c:irua:76481 |
Serial |
2612 |
Permanent link to this record |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
Filippousi, M.; Turner, S.; Katsikini, M.; Pinakidou, F.; Zamboulis, D.; Pavlidou, E.; Van Tendeloo, G. |
Title |
Direct observation and structural characterization of natural and metal ion-exchanged HEU-type zeolites |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Microporous and mesoporous materials: zeolites, clays, carbons and related materials |
Abbreviated Journal |
Micropor Mesopor Mat |
Volume |
210 |
Issue |
210 |
Pages |
185-193 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
The atomic structure of natural HEU-type zeolite and two ion-exchanged variants of the zeolite, Ag+ (Ag-HEU) and Zn2+ (Zn-HEU) ion exchanged HEU-type zeolites, are investigated using advanced transmission electron microscopy techniques in combination with X-ray powder diffraction and X-ray absorption fine structure measurements. In both ion-exchanged materials, loading of the natural HEU zeolite is confirmed. Using low-voltage, aberration-corrected transmission electron microscopy at low-dose conditions, the local crystal structure of natural HEU-type zeolite is determined and the interaction of the ion-exchanged natural zeolites with the Ag+ and Zn2+ ions is studied. In the case of Ag-HEU, the presence of Ag+ ions and clusters at extra-framework sites as well as Ag nanoparticles has been confirmed. The Ag nanoparticles are preferentially positioned at the zeolite surface. For Zn-HEU, no large Zn(O) nanopartides are present, instead, the HEU channels are evidenced to be decorated by small Zn(O) clusters. (c) 2015 Elsevier Inc. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000353733300024 |
Publication Date |
2015-02-13 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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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 |
246791 Countatoms; Iap-Pai; Fwo |
Approved |
Most recent IF: 3.615; 2015 IF: 3.453 |
Call Number |
c:irua:126006 |
Serial |
715 |
Permanent link to this record |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000598371500084 |
Publication Date |
2020-09-25 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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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 |
|
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 |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
Gao, Y.-J.; Jin, H.; Esteban, D.A.; Weng, B.; Saha, R.A.; Yang, M.-Q.; Bals, S.; Steele, J.A.; Huang, H.; Roeffaers, M.B.J. |
Title |
3D-cavity-confined CsPbBr₃ quantum dots for visible-light-driven photocatalytic C(sp³)-H bond activation |
Type |
A1 Journal article |
Year |
2024 |
Publication |
Carbon Energy |
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
e559 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Metal halide perovskite (MHP) quantum dots (QDs) offer immense potential for several areas of photonics research due to their easy and low-cost fabrication and excellent optoelectronic properties. However, practical applications of MHP QDs are limited by their poor stability and, in particular, their tendency to aggregate. Here, we develop a two-step double-solvent strategy to grow and confine CsPbBr3 QDs within the three-dimensional (3D) cavities of a mesoporous SBA-16 silica scaffold (CsPbBr3@SBA-16). Strong confinement and separation of the MHP QDs lead to a relatively uniform size distribution, narrow luminescence, and good ambient stability over 2 months. In addition, the CsPbBr3@SBA-16 presents a high activity and stability for visible-light-driven photocatalytic toluene C(sp(3))-H bond activation to produce benzaldehyde with similar to 730 mu mol g(-1) h(-1) yield rate and near-unity selectivity. Similarly, the structural stability of CsPbBr3@SBA-16 QDs is superior to that of both pure CsPbBr3 QDs and those confined in MCM-41 with 1D channels. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001223583600001 |
Publication Date |
2024-05-16 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
2637-9368 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:206000 |
Serial |
9133 |
Permanent link to this record |
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|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
He, Z.; Ke, X.; Bals, S.; Van Tendeloo, G. |
Title |
Direct evidence for the existence of multi-walled carbon nanotubes with hexagonal cross-sections |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
Volume |
50 |
Issue |
7 |
Pages |
2524-2529 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Carbon nanotubes (CNTs) with a polygonal cross-section have been paid increasing attention since their three-dimensional structure is related to specific physical properties, which are found to be different in comparison to CNTs with a circular cross-section. Here, we report the existence of novel multi-walled CNTs yielding walls with a rounded-hexagonal configuration. This structure was directly confirmed for the first time by both cross-sectional transmission electron microscopy and electron tomography. The morphology of the Fe catalytic particle also exhibits hexagonal characteristics, and is proposed as the origin of the formation of the rounded-hexagonal walls of the CNT. This observation is of great importance with respect to the design of polygonal (such as pentagonal or hexagonal) cross-sectional CNTs. By controlling the morphology of the catalytic nanoparticles it will be possible to grow CNTs with desired electronic and mechanical properties. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
|
Wos |
000303038400015 |
Publication Date |
2012-02-06 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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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 |
8 |
Open Access |
|
Notes |
Fwo |
Approved |
Most recent IF: 6.337; 2012 IF: 5.868 |
Call Number |
UA @ lucian @ c:irua:96956 |
Serial |
711 |
Permanent link to this record |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000295308300010 |
Publication Date |
2011-06-30 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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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 |
Permanent link to this record |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000304297500039 |
Publication Date |
2012-05-14 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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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 |
Permanent link to this record |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
Huybrechts, W.; Mali, G.; Kuśtrowski, P.; Willhammar, T.; Mertens, M.; Bals, S.; Van Der Voort, P.; Cool, P. |
Title |
Post-synthesis bromination of benzene bridged PMO as a way to create a high potential hybrid material |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Microporous and mesoporous materials: zeolites, clays, carbons and related materials |
Abbreviated Journal |
Micropor Mesopor Mat |
Volume |
236 |
Issue |
236 |
Pages |
244-249 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
Abstract |
Periodic mesoporous organosilicas provide the best of two worlds: the strength and porosity of an inorganic framework combined with the infinite possibilities created by the organic bridging unit. In this work we focus on post-synthetical modification of benzene bridged PMO, in order to create bromobenzene PMO. In the past, this proved to be very challenging due to unwanted structural deterioration. However, now we have found a way to brominate this material whilst keeping the structure intact. In-depth structural analysis by solid state NMR and XPS shows both vast progress over previous attempts as well as potential for improvement. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000385899600028 |
Publication Date |
2016-09-10 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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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 |
7 |
Open Access |
OpenAccess |
Notes |
; The authors would like to thank financial support from the FWO-Flanders (project no G.0068.13). The authors further acknowledge financial support of the University of Antwerp through BOF GOA funding. S.B. acknowledges financial support from European Research Council (ERC Starting Grant #335078-COLOURATOM). ; ecas_Sara |
Approved |
Most recent IF: 3.615 |
Call Number |
UA @ lucian @ c:irua:135274 |
Serial |
4228 |
Permanent link to this record |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000401120800053 |
Publication Date |
2017-03-26 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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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 |
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 |
Permanent link to this record |
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Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
|
Wos |
000598371500009 |
Publication Date |
2020-09-02 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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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 |