| Home | << 1 2 3 >> |
|
| Records | |||||
|---|---|---|---|---|---|
| Author | da Costa, D.R.; Zarenia, M.; Chaves, A.; Farias, G.A.; Peeters, F.M. | ||||
| Title | Analytical study of the energy levels in bilayer graphene quantum dots | Type | A1 Journal article | ||
| Year | 2014 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 78 | Issue  |
Pages | 392-400 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Using the four-band continuum model we derive a general expression for the infinite-mass boundary condition in bilayer graphene. Applying this new boundary condition we analytically calculate the confined states and the corresponding wave functions in a bilayer graphene quantum dot in the absence and presence of a perpendicular magnetic field. Our results for the energy spectrum show an energy gap between the electron and hole states at small magnetic fields. Furthermore the electron (e) and hole (h) energy levels corresponding to the K and K' valleys exhibit the E-K(e(h)) (m) = E-K'(e(h)) (m) symmetry, where m is the angular momentum quantum number. (C) 2014 Elsevier Ltd. All rights reserved. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000341463900042 | Publication Date | 2014-07-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | 35 | Open Access | |
| Notes | ; This work was financially supported by CNPq, under contract NanoBioEstruturas 555183/2005-0, PRONEX/FUNCAP, CAPES Foundation under the process number BEX 7178/13-1, the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES program Euro-GRAPHENE (project CONGRAN), the Bilateral programme between CNPq and FWO-Vl, and the Brazilian Program Science Without Borders (CsF). We thank M. Ramezani Masir and M. Grujic for helpful comments and discussions. ; | Approved | Most recent IF: 6.337; 2014 IF: 6.196 | ||
| Call Number | UA @ lucian @ c:irua:119280 | Serial | 109 | ||
| Permanent link to this record | |||||
| Author | Zhang, X.F.; Zhang, X.B.; Van Tendeloo, G.; Meijer, G. | ||||
| Title | “Harmless” carbon tubes around “dangerous” asbestos fibres | Type | A1 Journal article | ||
| Year | 1994 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 32 | Issue |
Pages | 363-366 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | A1994NC96800026 | Publication Date | 2003-06-20 | |
| 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 | 6.196 | Times cited | 2 | Open Access | |
| Notes | Approved | MATERIALS SCIENCE, MULTIDISCIPLINARY 135/271 Q2 # PHYSICS, APPLIED 70/145 Q2 # PHYSICS, CONDENSED MATTER 40/67 Q3 # | |||
| Call Number | UA @ lucian @ c:irua:10029 | Serial | 1411 | ||
| Permanent link to this record | |||||
| Author | Wiktor, C.; Turner, S.; Zacher, D.; Fischer, R.A.; Van Tendeloo, G. | ||||
| Title | Imaging of intact MOF-5 nanocrystals by advanced TEM at liquid | Type | A1 Journal article | ||
| Year | 2012 | Publication | Microporous and mesoporous materials: zeolites, clays, carbons and related materials | Abbreviated Journal | Micropor Mesopor Mat |
| Volume | 162 | Issue |
Pages | 131-135 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | First results on the imaging of intact metalorganic framework (MOF) pores in MOF-5 nanocrystals by aberration corrected transmission electron microscopy (TEM) under liquid nitrogen conditions are presented. The applied technique is certainly transferable to other MOF systems, permitting detailed studies of MOF interfaces, MOFnanoparticle interaction and MOF thin films. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000308284800018 | Publication Date | 2012-06-18 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1387-1811; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.615 | Times cited | 30 | Open Access | |
| Notes | Fwo | Approved | Most recent IF: 3.615; 2012 IF: 3.365 | ||
| Call Number | UA @ lucian @ c:irua:100467 | Serial | 1554 | ||
| Permanent link to this record | |||||
| Author | Neyts, E.C.; Bogaerts, A. | ||||
| Title | Ion irradiation for improved graphene network formation in carbon nanotube growth | Type | A1 Journal article | ||
| Year | 2014 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 77 | Issue |
Pages | 790-795 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Ion irradiation of carbon nanotubes very often leads to defect formation. However, we have recently shown that Ar ion irradiation in a limited energy window of 1025 eV may enhance the initial cap nucleation process, when the carbon network is in contact with the metal nanocatalyst. Here, we employ reactive molecular dynamics simulations to demonstrate that ion irradiation in a higher energy window of 1035 eV may also heal network defects after the nucleation stage through a non-metal-mediated mechanism, when the carbon network is no longer in contact with the metal nanocatalyst. The results demonstrate the possibility of beneficially utilizing ions in e.g. plasma-enhanced chemical vapour deposition of carbon nanotubes. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000340689400083 | Publication Date | 2014-06-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | 7 | Open Access | |
| Notes | Approved | Most recent IF: 6.337; 2014 IF: 6.196 | |||
| Call Number | UA @ lucian @ c:irua:118062 | Serial | 1745 | ||
| Permanent link to this record | |||||
| Author | Liu, S.; Lebedev, O.I.; Mertens, M.; Meynen, V.; Cool, P.; Van Tendeloo, G.; Vansant, E.F. | ||||
| Title | The merging of silica-surfactant microspheres under hydrothermal conditions | Type | A1 Journal article | ||
| Year | 2008 | Publication | Microporous and mesoporous materials: zeolites, clays, carbons and related materials | Abbreviated Journal | Micropor Mesopor Mat |
| Volume | 116 | Issue |
Pages | 141-146 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) | ||||
| Abstract | Post-synthesis hydrothermal treatments have been used to improve the quality of MCM-41 materials. In our latest work, merging of surfactant-containing silica microspheres during the hydrothermal treatments was observed. Mechanistic insights and the different stages that are involved in the merging process can be summarized as follows. First, the surfaces of the starting microspheres open up due to the dissolution of silica. Then the dissolved silica species provide mass source for the formation of particle necks connecting two neighboring microspheres. Gradually, surfaces of the starting microspheres are flattened to meet the needs of further growth of the necks. Finally, some chain-like highly-ordered mesoporous structures up to several micrometers are formed. The observed merging of the surfactant-containing microspheres is a re-assembling process, which is under the control of electrostatic force between the dissolved silica species and the surfactant cations. The occluded surfactant cations in the precursor spheres play important roles in the merging process. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000261133600021 | Publication Date | 2008-04-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1387-1811; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.615 | Times cited | 5 | Open Access | |
| Notes | Fwo; Goa | Approved | Most recent IF: 3.615; 2008 IF: 2.555 | ||
| Call Number | UA @ lucian @ c:irua:72021 | Serial | 1997 | ||
| Permanent link to this record | |||||
| Author | 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 | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000344132400009 | Publication Date | 2014-08-19 | |
| 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 | 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 | |||||
| Author | Shariat, M.; Hosseini, S.I.; Shokri, B.; Neyts, E.C. | ||||
| Title | Plasma enhanced growth of single walled carbon nanotubes at low temperature : a reactive molecular dynamics simulation | Type | A1 Journal article | ||
| Year | 2013 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 65 | Issue |
Pages | 269-276 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Low-temperature growth of carbon nanotubes (CNTs) has been claimed to provide a route towards chiral-selective growth, enabling a host of applications. In this contribution, we employ reactive molecular dynamics simulations to demonstrate how plasma-based deposition allows such low-temperature growth. We first show how ion bombardment during the growth affects the carbon dissolution and precipitation process. We then continue to demonstrate how a narrow ion energy window allows CNT growth at 500 K. Finally, we also show how CNTs in contrast cannot be grown in thermal CVD at this low temperature, but only at high temperature, in agreement with experimental data. (C) 2013 Elsevier Ltd. All rights reserved. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000326773200031 | Publication Date | 2013-08-23 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | 21 | Open Access | |
| Notes | Approved | Most recent IF: 6.337; 2013 IF: 6.160 | |||
| Call Number | UA @ lucian @ c:irua:112697 | Serial | 2635 | ||
| Permanent link to this record | |||||
| 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. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000079731900002 | Publication Date | 0000-00-00 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| 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 | ||
| Permanent link to this record | |||||
| 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. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| 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. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| 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 | ||
| Permanent link to this record | |||||
| 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. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| 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 | ||
| Permanent link to this record | |||||
| 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. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| 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. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| 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 | ||
| Permanent link to this record | |||||
| 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. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| 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 | ||
| Permanent link to this record | |||||
| 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. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| 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 | ||
| Permanent link to this record | |||||
| Author | Oh, H.; Gennett, T.; Atanassov, P.; Kurttepeli, M.; Bals, S.; Hurst, K.E.; Hirscher, M. | ||||
| Title | Hydrogen adsorption properties of platinum decorated hierarchically structured templated carbons | Type | A1 Journal article | ||
| Year | 2013 | Publication | Microporous and mesoporous materials: zeolites, clays, carbons and related materials | Abbreviated Journal | Micropor Mesopor Mat |
| Volume | 177 | Issue |
Pages | 66-74 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | In this report, the possibility of Pt catalytic activity for the dissociation of hydrogen molecules and subsequent hydrogen adsorption on sucrose templated carbon at ambient temperature has been studied. In order to investigate Pt catalytic effect for hydrogen storage solely, 6.8 wt.% Pt-doped (Pt/TC) and pure templated carbon (TC) possessing almost identical specific surface area (SSA) and pore volume (Vp) have been successfully synthesized. Since both Pt/TC and TC shares for their textural properties (e.g. SSA and Vp), any difference of hydrogen adsorption characteristic and storage capacity can be ascribed to the presence of Pt nanoparticles. Both samples are characterized by various techniques such as powder Xray diffraction, ICP-OES, Raman spectroscopy, transmission electron microscopy, cryogenic thermal desorption spectroscopy, low-pressure high-resolution hydrogen and nitrogen BET and high-pressure hydrogen adsorption isotherms in a Sieverts' apparatus. By applying hydrogen and deuterium isotope mixture, cryogenic thermal desorption spectroscopy point to a Pt catalytic activity for the dissociation of hydrogen molecules. Furthermore, the hydrogen adsorption isotherms at RT indicate an enhancement of the initial hydrogen adsorption kinetics in Pt-doped system. However, the hydrogen storage capacity of Pt/TC exhibits a negligible enhancement with a strong hysteresis, suggesting no connection between the spillover effect and a feasible hydrogen storage enhancement. (C) 2013 Elsevier Inc. All rights reserved. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000322293000012 | Publication Date | 2013-04-28 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1387-1811; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.615 | Times cited | 25 | Open Access | |
| Notes | 262348 ESMI; COST Action MP1103 | Approved | Most recent IF: 3.615; 2013 IF: 3.209 | ||
| Call Number | UA @ lucian @ c:irua:109758 | Serial | 1532 | ||
| Permanent link to this record | |||||
| Author | Ribbens, S.; Beyers, E.; Schellens, K.; Mertens, M.; Ke, X.; Bals, S.; Van Tendeloo, G.; Meynen, V.; Cool, P. | ||||
| Title | Systematic evaluation of thermal and mechanical stability of different commercial and synthetic photocatalysts in relation to their photocatalytic activity | Type | A1 Journal article | ||
| Year | 2012 | Publication | Microporous and mesoporous materials: zeolites, clays, carbons and related materials | Abbreviated Journal | Micropor Mesopor Mat |
| Volume | 156 | Issue |
Pages | 62-72 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) | ||||
| Abstract | The effect of thermal treatment and mechanical stress on the structural and photocatalytic properties of eight different (synthetic and commercial) photocatalysts has been thoroughly investigated. Different mesoporous Ti-based materials were prepared via surfactant based synthesis routes (e.g. Pluronic 123, CTMABr = Cetyltrimethylammonium bromide) or via template-free synthesis routes (e.g. trititanate nanotubes). Also, the stabilizing effect of the NaOH/NH4OH post-treatment on the templated mesoporous materials and their photocatalytic activity was investigated. Furthermore, the thermal and mechanical properties of commercially available titanium dioxides such as P25 Evonik® and Millenium PC500® were studied. The various photocatalysts were analyzed with N2-sorption, X-ray diffraction (XRD), high resolution transmission electron microscopy (HR-TEM), differential scanning calorimetry (DSC) and thermal gravimetric analysis (TGA) to obtain information concerning the specific surface area, pore volume, crystal structure, morphology, phase transitions, etc. In general, results show that the NaOH post-treatment leads to an increased control of the crystallization process during calcination resulting in a higher thermal stability, but at the same time diminishes the photocatalytic activity. Mesoporous materials in which pre-synthesized nanoparticles are used as titania source have the best mechanical stability whereas the mechanical stability of the nanotubes is the most limited. At increased temperatures and pressures, the tested commercial titanium dioxides lose their superior photocatalytic activity caused by a decreased accessibility of the active sites. The observed changes in adsorption capacities and photocatalytic activities cannot be assigned to one single phenomenon. In this respect, it shows the need to define a general/standard method to compare different photocatalysts. Furthermore, it is shown that the photocatalytic properties do not necessarily deteriorate under thermal stress, but can be improved due to crystallization, even though the initial material is (partially) destroyed. It is shown that the usefulness of a specific type of photocatalyst strongly depends on the application and the temperature/pressure to which it needs to resist. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000303625200010 | Publication Date | 2012-02-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1387-1811; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.615 | Times cited | 8 | Open Access | |
| Notes | Fwo | Approved | Most recent IF: 3.615; 2012 IF: 3.365 | ||
| Call Number | UA @ lucian @ c:irua:96910 | Serial | 3466 | ||
| Permanent link to this record | |||||
| Author | van Oers, C.J.; Kurttepeli, M.; Mertens, M.; Bals, S.; Meynen, V.; Cool, P. | ||||
| Title | Zeolite \beta nanoparticles based bimodal structures : mechanism and tuning of the porosity and zeolitic properties | Type | A1 Journal article | ||
| Year | 2014 | Publication | Microporous and mesoporous materials: zeolites, clays, carbons and related materials | Abbreviated Journal | Micropor Mesopor Mat |
| Volume | 185 | Issue |
Pages | 204-212 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) | ||||
| Abstract | Despite great efforts in the research area of zeolite nanoparticles and their use in the synthesis of bimodal materials, still little is known about the impact of the synthesis conditions of the zeolite nanoparticles on its own characteristics, and on the properties and the formation mechanism of the final bimodal materials. A zeolite β nanoparticles solution is applied in a mesotemplate-free synthesis method, and the influence of the hydrothermal ageing temperature of the nanoparticles solution on both the zeolitic and porosity characteristics of the final bimodal material has been studied. Transmission electron microscopy in combination with 3-dimensional reconstructions obtained by electron tomography revealed that the zeolite β nanoparticles are connected by neck-like structures, thus creating a wormhole-like mesoporous material. Considering the zeolitic properties, a clear threshold is observed in the synthesis temperature series at 413 K. Below and at this threshold, the biporous materials show no apparent zeolitic characteristics, although these materials exhibit a more condensed and uniform SiOSi network in comparison to Al-MCF. Synthesis temperatures above the threshold lead to bimodal structures with defined zeolitic properties. Moreover, the dimensions of the nanoparticles are studied by TEM, revealing an increasing particle size with increasing temperature under the threshold of 413 K, which is in agreement with a sol-mechanism. This mechanism is disturbed after the threshold due to the start of the crystallisation process. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000330930400025 | Publication Date | 2013-11-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1387-1811; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.615 | Times cited | 10 | Open Access | OpenAccess |
| Notes | 262348 Esmi | Approved | Most recent IF: 3.615; 2014 IF: 3.453 | ||
| Call Number | UA @ lucian @ c:irua:112501 | Serial | 3930 | ||
| Permanent link to this record | |||||
| Author | Aussems, D.U.B.; Bal, K.M.; Morgan, T.W.; van de Sanden, M.C.M.; Neyts, E.C. | ||||
| Title | Mechanisms of elementary hydrogen ion-surface interactions during multilayer graphene etching at high surface temperature as a function of flux | Type | A1 Journal article | ||
| Year | 2018 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 137 | Issue |
Pages | 527-532 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | In order to optimize the plasma-synthesis and modification process of carbon nanomaterials for applications such as nanoelectronics and energy storage, a deeper understanding of fundamental hydrogengraphite/graphene interactions is required. Atomistic simulations by Molecular Dynamics have proven to be indispensable to illuminate these phenomena. However, severe time-scale limitations restrict them to very fast processes such as reflection, while slow thermal processes such as surface diffusion and molecular desorption are commonly inaccessible. In this work, we could however reach these thermal processes for the first time at time-scales and surface temperatures (1000 K) similar to high-flux plasma exposure experiments during the simulation of multilayer graphene etching by 5 eV H ions. This was achieved by applying the Collective Variable-Driven Hyperdynamics biasing technique, which extended the inter-impact time over a range of six orders of magnitude, down to a more realistic ion-flux of 1023m2s1. The results show that this not only causes a strong shift from predominant ion-to thermally induced interactions, but also significantly affects the hydrogen uptake and surface evolution. This study thus elucidates H ion-graphite/graphene interaction mechanisms and stresses the importance of including long time-scales in atomistic simulations at high surface temperatures to understand the dynamics of the ion-surface system. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000440661700056 | Publication Date | 2018-05-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | 4 | Open Access | Not_Open_Access: Available from 25.05.2020 |
| Notes | DIFFER is part of the Netherlands Organisation for Scientific Research (NWO). K.M.B. is funded as PhD fellow (aspirant) of the FWO-Flanders (Fund for Scientific Research-Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government e department EWI. | Approved | Most recent IF: 6.337 | ||
| Call Number | PLASMANT @ plasmant @c:irua:152172 | Serial | 4993 | ||
| Permanent link to this record | |||||
| Author | Khalilov, U.; Vets, C.; Neyts, E.C. | ||||
| Title | Catalyzed growth of encapsulated carbyne | Type | A1 Journal article | ||
| Year | 2019 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 153 | Issue |
Pages | 1-5 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Carbyne is a novel material of current interest in nanotechnology. As is typically the case for nanomaterials, the growth process determines the resulting properties. While endohedral carbyne has been successfully synthesized, its catalyst and feedstock-dependent growth mechanism is still elusive. We here study the nucleation and growth mechanism of different carbon chains in a Ni-containing double walled carbon nanotube using classical molecular dynamics simulations and first-principles calculations. We find that the understanding the competitive role of the metal catalyst and the hydrocarbon is important to control the growth of 1-dimensional carbon chains, including Ni or H-terminated carbyne. Also, we find that the electronic property of the Ni-terminated carbyne can be tuned by steering the H concentration along the chain. These results suggest catalyst-containing carbon nanotubes as a possible synthesis route for carbyne formation. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000485054200001 | Publication Date | 2019-07-01 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | Open Access | Not_Open_Access | |
| Notes | Fund of Scientific Research Flanders (FWO), Belgium, 12M1318N 1S22516N ; Flemish Supercomputer Centre VSC; Hercules Foundation; Flemish Government; University of Antwerp; The authors gratefully acknowledge the financial support from the Fund of Scientific Research Flanders (FWO), Belgium, Grant numbers 12M1318N and 1S22516N. The work was carried out in part using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Centre VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. | Approved | Most recent IF: 6.337 | ||
| Call Number | PLASMANT @ plasmant @c:irua:160695 | Serial | 5187 | ||
| Permanent link to this record | |||||
| Author | Khalilov, U.; Neyts, E.C. | ||||
| Title | Mechanisms of selective nanocarbon synthesis inside carbon nanotubes | Type | A1 Journal article | ||
| Year | 2021 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 171 | Issue |
Pages | 72-78 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | The possibility of confinement effects inside a carbon nanotube provides new application opportunities, e.g., growth of novel carbon nanostructures. However, the understanding the precise role of catalystfeedstock in the nanostructure synthesis is still elusive. In our simulation-based study, we investigate the Ni-catalyzed growth mechanism of encapsulated carbon nanostructures, viz. double-wall carbon nanotube and graphene nanoribbon, from carbon and hydrocarbon growth precursors, respectively. Specifically, we find that the tube and ribbon growth is determined by a catalyst-vs-feedstock competition effect. We compare our results, i.e., growth mechanism and structure morphology with all available theoretical and experimental data. Our calculations show that all encapsulated nanostructures contain metal (catalyst) atoms and such structures are less stable than their pure counterparts. Therefore, we study the purification mechanism of these structures. In general, this study opens a possible route to the controllable synthesis of tubular and planar carbon nanostructures for today’s nanotechnology. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000598371500009 | Publication Date | 2020-09-02 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 6.337 | Times cited | Open Access | OpenAccess | |
| Notes | Fund of Scientific Research Flanders, 12M1318N ; Universiteit Antwerpen; Flemish Supercomputer Centre; Hercules Foundation; Flemish Government; The authors gratefully acknowledge the financial support from the Fund of Scientific Research Flanders (FWO), Belgium, Grant number 12M1318N. The work was carried out in part using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Centre (VSC), funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA, Belgium. | Approved | Most recent IF: 6.337 | ||
| Call Number | PLASMANT @ plasmant @c:irua:172459 | Serial | 6414 | ||
| Permanent link to this record | |||||
| Author | Fukuhara, S.; Bal, K.M.; Neyts, E.C.; Shibuta, Y. | ||||
| Title | Entropic and enthalpic factors determining the thermodynamics and kinetics of carbon segregation from transition metal nanoparticles | Type | A1 Journal article | ||
| Year | 2021 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 171 | Issue |
Pages | 806-813 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | The free energy surface (FES) for carbon segregation from nickel nanoparticles is obtained from advanced molecular dynamics simulations. A suitable reaction coordinate is developed that can distinguish dissolved carbon atoms from segregated dimers, chains and junctions on the nanoparticle surface. Because of the typically long segregation time scale (up to ms), metadynamics simulations along the developed reaction coordinate are used to construct FES over a wide range of temperatures and carbon concentrations. The FES revealed the relative stability of different stages in the segregation process, and free energy barriers and rates of the individual steps could then be calculated and decomposed into enthalpic and entropic contributions. As the carbon concentration in the nickel nanoparticle increases, segregated carbon becomes more stable in terms of both enthalpy and entropy. The activation free energy of the reaction also decreases with the increase of carbon concentration, which can be mainly attributed to entropic effects. These insights and the methodology developed to obtain them improve our understanding of carbon segregation process across materials science in general, and the nucleation and growth of carbon nanotube in particular. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000598371500084 | Publication Date | 2020-09-25 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | Open Access | OpenAccess | |
| Notes | Scientific Research, 19H02415 ; JSPS, 18J22727 ; Japan Society for the Promotion of Science; JSPS; JSPS; FWO; Research Foundation; Flanders, 12ZI420N ; This work was supported by Grant-in-Aid for Scientific Research (B) (No.19H02415) and Grant-in-Aid for JSPS Research Fellow (No.18J22727) from Japan Society for the Promotion of Science (JSPS), Japan. S.F. was supported by JSPS through the Program for 812 | Approved | Most recent IF: 6.337 | ||
| Call Number | PLASMANT @ plasmant @c:irua:172452 | Serial | 6421 | ||
| Permanent link to this record | |||||
| Author | Kleshch, V.I.; Porshyn, V.; Orekhov, A.S.; Orekhov, A.S.; Lützenkirchen-Hecht, D.; Obraztsov, A.N. | ||||
| Title | Carbon single-electron point source controlled by Coulomb blockade | Type | A1 Journal article | ||
| Year | 2021 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 171 | Issue |
Pages | 154-160 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The Coulomb blockade effect is commonly used in solid state electronics for the control of electron flow at the single-particle level. Potentially, it allows the creation of single-electron point sources demanded for prospective electron microscopy instruments and other vacuum electronics devices. Here we realize this potential via creation of a stable point electron source composed of a carbon nanowire electrically coupled to a diamond nanotip by a tunnel junction. Using energy spectroscopy analysis, we characterize the electrons liberated from the nanometer scale carbon heterostructures in time and energy domains. Our experimental results demonstrate perfect agreement with theory prediction of Coulomb oscillations of the Fermi level in the nanowire and allow to determine the mechanisms of their suppression. Persistence of the oscillations at room temperature, high intensity field emission with currents up to 1 mA, and other characteristics of our emitters are very promising for practical realization of coherent single-electron guns. |
||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000598371500018 | Publication Date | 2020-09-06 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | Open Access | OpenAccess | |
| Notes | The work was supported by Russian Science Foundation (Project No. 19-72-10067). | Approved | Most recent IF: 6.337 | ||
| Call Number | EMAT @ emat @c:irua:175013 | Serial | 6670 | ||
| 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 | |||||
| Author | Tikhomirov, A.S.; Sorokina, N.E.; Shornikova, O.N.; Morozov, V.A.; Van Tendeloo, G.; Avdeev, V.V. | ||||
| Title | The chemical vapor infiltration of exfoliated graphite to produce carbon/carbon composites | Type | A1 Journal article | ||
| Year | 2011 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 49 | Issue |
1 | Pages | 147-153 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Chemical vapor infiltration was used for the production of carbon/carbon composites based on exfoliated graphite and pyrolytic carbon Two different exfoliated graphites compacted to densities of 0 05-0 4 g/cm(3) were used as a preform The influence of the synthesis conditions (temperature, pressure, time etc) on the degree of infiltration, the pyrolytic carbon morphology and the C/C composite characteristics was examined using Raman spectroscopy, scanning electron microscopy and low-temperature nitrogen adsorption (C) 2010 Elsevier Ltd All rights reserved | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000284977500021 | Publication Date | 2010-09-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | 7 | Open Access | |
| Notes | Iap | Approved | Most recent IF: 6.337; 2011 IF: 5.378 | ||
| Call Number | UA @ lucian @ c:irua:99185 | Serial | 354 | ||
| Permanent link to this record | |||||
| Author | Savchenko, D.V.; Serdan, A.A.; Morozov, V.A.; Van Tendeloo, G.; Ionov, S.G. | ||||
| Title | Improvement of the oxidation stability and the mechanical properties of flexible graphite foil by boron oxide impregnation | Type | A1 Journal article | ||
| Year | 2012 | Publication | New carbon materials | Abbreviated Journal | |
| Volume | 27 | Issue |
1 | Pages | 12-18 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Flexible graphite foil produced by rolling expanded graphite impregnated with boron oxide was analyzed by laser mass spectroscopy, X-ray photoelectron spectroscopy, scanning electron microscopy and thermogravimetry. It was shown that the modification of the graphite foil by boron oxide increases the onset temperature of oxidation by ∼ 150 °C. Impregnation of less than 2 mass% boron oxide also increased the tensile strength of the materials. The observed improvement was attributed to the blocking of active sites by boron oxide, which is probably chemically bonded to the edges of graphene sheets in expanded graphite particles. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000304742100002 | Publication Date | 2012-03-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1872-5805; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 5 | Open Access | ||
| Notes | Iap | Approved | Most recent IF: NA | ||
| Call Number | UA @ lucian @ c:irua:96958 | Serial | 1569 | ||
| Permanent link to this record | |||||
| Author | de Witte, K.; Busuioc, A.M.; Meynen, V.; Mertens, M.; Bilba, N.; Van Tendeloo, G.; Cool, P.; Vansant, E.F. | ||||
| Title | Influence of the synthesis parameters of TiO2-SBA-15 materials on the adsorption and photodegradation of rhodamine-6G | Type | A1 Journal article | ||
| Year | 2008 | Publication | Microporous and mesoporous materials: zeolites, clays, carbons and related materials | Abbreviated Journal | Micropor Mesopor Mat |
| Volume | 110 | Issue |
1 | Pages | 100-110 |
| Keywords | A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Electron microscopy for materials research (EMAT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000254056200013 | Publication Date | 2007-10-02 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1387-1811; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.615 | Times cited | 54 | Open Access | |
| Notes | Approved | Most recent IF: 3.615; 2008 IF: 2.555 | |||
| Call Number | UA @ lucian @ c:irua:68280 | Serial | 1654 | ||
| Permanent link to this record | |||||
| Author | Stevens, W.J.J.; Meynen, V.; Bruijn, E.; Lebedev, O.I.; Van Tendeloo, G.; Cool, P.; Vansant, E.F. | ||||
| Title | Mesoporous material formed by acidic hydrothermal assembly of silicalite-1 precursor nanoparticles in the absence of meso-templates | Type | A1 Journal article | ||
| Year | 2008 | Publication | Microporous and mesoporous materials: zeolites, clays, carbons and related materials | Abbreviated Journal | Micropor Mesopor Mat |
| Volume | 110 | Issue |
1 | Pages | 77-85 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000254056200010 | Publication Date | 2007-09-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1387-1811; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.615 | Times cited | 21 | Open Access | |
| Notes | Fwo; Crp; Inside-Pores | Approved | Most recent IF: 3.615; 2008 IF: 2.555 | ||
| Call Number | UA @ lucian @ c:irua:68229 | Serial | 1998 | ||
| Permanent link to this record | |||||
| Author | Felten, A.; Bittencourt, C.; Colomer, J.-F.; Van Tendeloo, G.; Pireaux, J.-J. | ||||
| Title | Nucleation of metal clusters on plasma treated multi wall carbon nanotubes | Type | A1 Journal article | ||
| Year | 2007 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 45 | Issue |
1 | Pages | 110-116 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000243583300017 | Publication Date | 2006-09-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | 40 | Open Access | |
| Notes | Approved | Most recent IF: 6.337; 2007 IF: 4.260 | |||
| Call Number | UA @ lucian @ c:irua:63033 | Serial | 2389 | ||
| Permanent link to this record | |||||
| Author | Afanasov, I.M.; Morozov, V.A.; Kepman, A.V.; Ionov, S.G.; Seleznev, A.N.; Van Tendeloo, G.; Audeev, V.V. | ||||
| Title | Preparation, electrical and thermal properties of new exfoliated graphite-based composites | Type | A1 Journal article | ||
| Year | 2009 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 47 | Issue |
1 | Pages | 263-270 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Exfoliated graphite samples (EG) with different bulk densities were prepared by the exfoliation of expandable graphite under a thermal shock regime. As a conductive filler, EG has been incorporated successfully into the coal tar pitch matrix by mechanical mixing. The conducting behavior of the composite was interpreted based on the percolation theory. The percolation threshold of the EG/pitch conducting composites at room temperature was as low as 1.5 wt% and did not depend on the bulk density of the EG used. By means of thermogravimetry the improvement of thermal stability of the composites in comparison with pure pitches was detected. The phenomenon was ascribed to heat shielding effect of the EG particles evidenced by matrix-assisted laser desorption/ionization mass spectrometry. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000262143500032 | Publication Date | 2008-10-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | 42 | Open Access | |
| Notes | Iap-Vi | Approved | Most recent IF: 6.337; 2009 IF: 4.504 | ||
| Call Number | UA @ lucian @ c:irua:75767 | Serial | 2701 | ||
| Permanent link to this record | |||||