| Records |
| Author |
Neyts, E.; Eckert, M.; Mao, M.; Bogaerts, A. |
| Title |
Numerical simulation of hydrocarbon plasmas for nanoparticle formation and the growth of nanostructured thin films |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Plasma physics and controlled fusion |
Abbreviated Journal |
Plasma Phys Contr F |
| Volume |
51 |
Issue |
|
Pages |
124034,1-124034,8 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
This paper outlines two different numerical simulation approaches, carried out by our group, used for describing hydrocarbon plasmas in their applications for either nanoparticle formation in the plasma or the growth of nanostructured thin films, such as nanocrystalline diamond (NCD). A plasma model based on the fluid approach is utilized to study the initial mechanisms giving rise to nanoparticle formation in an acetylene plasma. The growth of NCD is investigated by molecular dynamics simulations, describing the interaction of the hydrocarbon species with a substrate. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication  |
Oxford |
Editor |
|
| Language |
|
Wos |
000271940800045 |
Publication Date |
2009-11-12 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0741-3335;1361-6587; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.392 |
Times cited |
2 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.392; 2009 IF: 2.409 |
| Call Number |
UA @ lucian @ c:irua:79132 |
Serial |
2405 |
| Permanent link to this record |
| |
|
| |
| Author |
Aghaei, M.; Lindner, H.; Bogaerts, A. |
| Title |
Optimization of operating parameters for inductively coupled plasma mass spectrometry : a computational study |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Spectrochimica acta: part B : atomic spectroscopy |
Abbreviated Journal |
Spectrochim Acta B |
| Volume |
76 |
Issue |
|
Pages |
56-64 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
An inductively coupled plasma, connected to a mass spectrometer interface, is computationally investigated. The effect of pressure behind the sampler, injector gas flow rate, auxiliary gas flow rate, and applied power is studied. There seems to be an optimum range of injector gas flow rate for each setup which guaranties the presence and also a proper length of the central channel in the torch. Moreover, our modeling results show that for any specific purpose, it is possible to control that either only the central gas flow passes through the sampler orifice or that it is accompanied by the auxiliary gas flow. It was also found that depending on geometry, the variation of outgoing gas flow rate is much less than the variation of the injector gas flow rate and this causes a slightly higher pressure inside the torch. The general effect of increasing the applied power is a rise in the plasma temperature, which results in a higher ionization in the coil region. However, the negative effect is reducing the length of the cool central channel which is important to transfer the sample substances to the sampler. Using a proper applied power can enhance the efficiency of the system. Indeed, by changing the gas path lines, the power can control which flow (i.e., only from injector gas or also from the auxiliary gas) goes to the sampler orifice. Finally, as also reported from experiments in literature, the pressure behind the sampler has no dramatic effect on the plasma characteristics. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000311008600008 |
Publication Date |
2012-06-23 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0584-8547; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.241 |
Times cited |
18 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.241; 2012 IF: 3.141 |
| Call Number |
UA @ lucian @ c:irua:101356 |
Serial |
2488 |
| Permanent link to this record |
| |
|
| |
| Author |
Carrillo-Nunez, H.; Magnus, W.; Vandenberghe, W.G.; Sorée, B.; Peeters, F.M. |
| Title |
Phonon-assisted Zener tunneling in a p-n diode silicon nanowire |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Solid state electronics |
Abbreviated Journal |
Solid State Electron |
| Volume |
79 |
Issue |
|
Pages |
196-200 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The Zener tunneling current flowing through a biased, abrupt p-n junction embedded in a cylindrical silicon nanowire is calculated. As the band gap becomes indirect for sufficiently thick wires, Zener tunneling and its related transitions between the valence and conduction bands are mediated by short-wavelength phonons interacting with mobile electrons. Therefore, not only the high electric field governing the electrons in the space-charge region but also the transverse acoustic (TA) and transverse optical (TO) phonons have to be incorporated in the expression for the tunneling current. The latter is also affected by carrier confinement in the radial direction and therefore we have solved the Schrodinger and Poisson equations self-consistently within the effective mass approximation for both conduction and valence band electrons. We predict that the tunneling current exhibits a pronounced dependence on the wire radius, particularly in the high-bias regime. (C) 2012 Elsevier Ltd. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000313611000037 |
Publication Date |
2012-09-29 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0038-1101; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.58 |
Times cited |
2 |
Open Access |
|
| Notes |
; This work is supported by the Flemish Science Foundation (FWO-VI), and the Interuniversity Attraction Poles, Belgium State, Belgium Science Policy, and IMEC. One of the authors (W. Vandenberghe) gratefully acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). ; |
Approved |
Most recent IF: 1.58; 2013 IF: 1.514 |
| Call Number |
UA @ lucian @ c:irua:110104 |
Serial |
2600 |
| Permanent link to this record |
| |
|
| |
| Author |
Felten, A.; Ghijsen, J.; Pireaux, J.-J.; Whelan, C.M.; Liang, D.; Van Tendeloo, G.; Bittencourt, C. |
| Title |
Photoemission study of CF4 rf-plasma treated multi-wall carbon nanotubes |
Type |
A1 Journal article |
| Year |
2008 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| Volume |
46 |
Issue |
10 |
Pages |
1271-1275 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Multi-wall carbon nanotubes (MWCNTs) were exposed to a CF4 rf-plasma. X-ray photoelectron spectroscopy analysis shows that the treatment effectively grafts fluorine atoms onto the MWCNTs. The fluorine atomic concentration and the nature of the CF bond (semi-ionic or covalent) can be tuned by varying the exposure time. Ultraviolet photoelectron spectroscopy analysis confirms that the valence electronic states are altered by the grafting of fluorine atoms. Characterization with high-resolution transmission electron microscopy reveals that while the plasma treatment does not induce significant etching impact on the CNT-surface, it does increase the number of active sites for gold cluster formation. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000258987500001 |
Publication Date |
2008-05-16 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.337 |
Times cited |
21 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 6.337; 2008 IF: 4.373 |
| Call Number |
UA @ lucian @ c:irua:76481 |
Serial |
2612 |
| 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 |
Afanasov, I.M.; Morozov, V.A.; Kepman, A.V.; Ionov, S.G.; Seleznev, A.N.; Van Tendeloo, G.; Audeev, V.V. |
| Title |
Preparation, electrical and thermal properties of new exfoliated graphite-based composites |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| Volume |
47 |
Issue |
1 |
Pages |
263-270 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Exfoliated graphite samples (EG) with different bulk densities were prepared by the exfoliation of expandable graphite under a thermal shock regime. As a conductive filler, EG has been incorporated successfully into the coal tar pitch matrix by mechanical mixing. The conducting behavior of the composite was interpreted based on the percolation theory. The percolation threshold of the EG/pitch conducting composites at room temperature was as low as 1.5 wt% and did not depend on the bulk density of the EG used. By means of thermogravimetry the improvement of thermal stability of the composites in comparison with pure pitches was detected. The phenomenon was ascribed to heat shielding effect of the EG particles evidenced by matrix-assisted laser desorption/ionization mass spectrometry. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000262143500032 |
Publication Date |
2008-10-14 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.337 |
Times cited |
42 |
Open Access |
|
| Notes |
Iap-Vi |
Approved |
Most recent IF: 6.337; 2009 IF: 4.504 |
| Call Number |
UA @ lucian @ c:irua:75767 |
Serial |
2701 |
| Permanent link to this record |
| |
|
| |
| Author |
Cao, S.; Nishida, M.; Schryvers, D. |
| Title |
Quantitative three-dimensional analysis of Ni4Ti3 precipitate morphology and distribution in polycrystalline Ni-Ti |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Acta materialia |
Abbreviated Journal |
Acta Mater |
| Volume |
59 |
Issue |
4 |
Pages |
1780-1789 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The three-dimensional size, morphology and distribution of Ni4Ti3 precipitates in a Ni50.8Ti49.2 polycrystalline shape memory alloy with a heterogeneous microstructure have been investigated using a focused ion beam/scanning electron microscopy slice-and-view procedure. The mean volume, central plane diameter, thickness, aspect ratio and sphericity of the precipitates in the grain interior as well as near to the grain boundary were measured and/or calculated. The morphology of the precipitates was quantified by determining the equivalent ellipsoids with the same moments of inertia and classified according to the Zingg scheme. Also, the pair distribution functions describing the three-dimensional distributions were obtained from the coordinates of the precipitate mass centres. Based on this new data it is suggested that the existence of the heterogeneous microstructure could be due to a very small concentration gradient in the grains of the homogenized material and that the resulting multistage martensitic transformation originates in strain effects related to the size of the precipitates and scale differences of the available B2 matrix in between the precipitates. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000287265100045 |
Publication Date |
2010-12-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1359-6454; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
5.301 |
Times cited |
34 |
Open Access |
|
| Notes |
Fwo |
Approved |
Most recent IF: 5.301; 2011 IF: 3.755 |
| Call Number |
UA @ lucian @ c:irua:85533 |
Serial |
2766 |
| Permanent link to this record |
| |
|
| |
| Author |
Balaban, S.N.; Pokatilov, E.P.; Fomin, V.M.; Gladilin, V.N.; Devreese, J.T.; Magnus, W.; Schoenmaker, W.; van Rossum, M.; Sorée, B. |
| Title |
Quantum transport in a cylindrical sub-0.1 μm silicon-based MOSFET |
Type |
A1 Journal article |
| Year |
2002 |
Publication |
Solid-State Electronics |
Abbreviated Journal |
Solid State Electron |
| Volume |
46 |
Issue |
|
Pages |
435-444 |
| Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000174445000020 |
Publication Date |
2002-10-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0038-1101; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.58 |
Times cited |
16 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.58; 2002 IF: 0.913 |
| Call Number |
UA @ lucian @ c:irua:40880 |
Serial |
2791 |
| Permanent link to this record |
| |
|
| |
| Author |
Peeters, F.M.; Shi, J.M.; Devreese, J.T.; Cheng, J.-P.; McCombe, B.D.; Schaff, W. |
| Title |
Resonant magneto-polarons in strongly-coupled superlattices |
Type |
A1 Journal article |
| Year |
1994 |
Publication |
Solid state electronics |
Abbreviated Journal |
Solid State Electron |
| Volume |
37 |
Issue |
|
Pages |
1217-1220 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
A1994NE79600157 |
Publication Date |
2002-10-18 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0038-1101; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.504 |
Times cited |
5 |
Open Access |
|
| Notes |
|
Approved |
|
| Call Number |
UA @ lucian @ c:irua:9275 |
Serial |
2886 |
| Permanent link to this record |
| |
|
| |
| Author |
van Straaten, M.; Vertes, A.; Gijbels, R. |
| Title |
Sample erosion studies in a glow discharge ionization cell |
Type |
A3 Journal article |
| Year |
1991 |
Publication |
Spectrochimica acta |
Abbreviated Journal |
|
| Volume |
46b |
Issue |
|
Pages |
283 |
| Keywords |
A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0371-1951; 0371-1951 |
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 # |
| Call Number |
UA @ lucian @ c:irua:702 |
Serial |
2940 |
| Permanent link to this record |
| |
|
| |
| Author |
Li, Y.; Zhang, X.B.; Tao, X.Y.; Xu, J.M.; Chen, F.; Shen, L.H.; Yang, X.F.; Liu, F.; Van Tendeloo, G.; Geise, H.J. |
| Title |
Single phase MgMoO4 as catalyst for the synthesis of bundled multi-wall carbon nanotubes by CVD |
Type |
L1 Letter to the editor |
| Year |
2005 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| Volume |
43 |
Issue |
6 |
Pages |
1325-1328 |
| Keywords |
L1 Letter to the editor; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000228676400026 |
Publication Date |
2005-03-11 |
| 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 |
23 |
Open Access |
|
| Notes |
Iap V-1 |
Approved |
Most recent IF: 6.337; 2005 IF: 3.419 |
| Call Number |
UA @ lucian @ c:irua:59055 |
Serial |
3026 |
| Permanent link to this record |
| |
|
| |
| Author |
Bogaerts, R.; de Keyser, A.; Herlach, F.; Peeters, F.M.; DeRosa, F.; Palmstrøm, C.J.; Brehmer, D.; Allen, S.J. |
| Title |
Size effects in the transport properties of thin Sc1-xErxAs epitaxial layers buried in GaAs |
Type |
A1 Journal article |
| Year |
1994 |
Publication |
Solid state electronics |
Abbreviated Journal |
Solid State Electron |
| Volume |
37 |
Issue |
|
Pages |
789-792 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
A1994NE79600063 |
Publication Date |
2002-10-18 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0038-1101; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.504 |
Times cited |
4 |
Open Access |
|
| Notes |
|
Approved |
CHEMISTRY, PHYSICAL 77/144 Q3 # MATHEMATICS, INTERDISCIPLINARY 19/101 Q1 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 17/35 Q2 # |
| Call Number |
UA @ lucian @ c:irua:9375 |
Serial |
3037 |
| Permanent link to this record |
| |
|
| |
| Author |
Fang, C.M.; van Huis, M.A.; Zandbergen, H.W. |
| Title |
Stability and structures of the \epsilon-phases of iron nitrides and iron carbides from first principles |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Scripta materialia |
Abbreviated Journal |
Scripta Mater |
| Volume |
64 |
Issue |
3 |
Pages |
296-299 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
First-principles calculations were performed for the ε-phases and other iron carbides/nitrides with hexagonal close-packed Fe sublattices. Although these nitrides/carbides have similar crystal structures, they exhibit different chemical and physical properties. Relative to α-Fe, graphite and N2, all the ε-type nitrides are stable, while all the carbides are metastable. The lattice parameters of the ε-iron nitrides vary differently from those of the ε-carbides, as a function of the concentration of X (Xdouble bond; length as m-dashN, C). The structural relationships of ε-Fe2X with η-Fe2X and ζ-Fe2X are discussed. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000285323300022 |
Publication Date |
2010-09-02 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1359-6462; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.747 |
Times cited |
29 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.747; 2011 IF: 2.699 |
| Call Number |
UA @ lucian @ c:irua:86974 |
Serial |
3120 |
| Permanent link to this record |
| |
|
| |
| Author |
Dzhurakhalov, A.A.; Peeters, F.M. |
| Title |
Structure and energetics of hydrogen chemisorbed on a single graphene layer to produce graphane |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| Volume |
49 |
Issue |
10 |
Pages |
3258-3266 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Integrated Molecular Plant Physiology Research (IMPRES) |
| Abstract |
Chemisorption of hydrogen on graphene is studied using atomistic simulations with the second generation of reactive empirical bond order Brenner inter-atomic potential. The lowest energy adsorption sites and the most important metastable sites are determined. The H concentration is varied from a single H atom, to clusters of H atoms up to full coverage. We found that when two or more H atoms are present, the most stable configurations of H chemisorption on a single graphene layer are ortho hydrogen pairs adsorbed on one side or on both sides of the graphene sheet. The latter has the highest hydrogen binding energy. The next stable configuration is the orthopara pair combination, and then para hydrogen pairs. The structural changes of graphene caused by chemisorbed hydrogen are discussed and are compared with existing experimental data and other theoretical calculations. The obtained results will be useful for nanoengineering of graphene by hydrogenation and for hydrogen storage. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000291959300014 |
Publication Date |
2011-04-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.337 |
Times cited |
46 |
Open Access |
|
| Notes |
; A.D. thanks M.W. Zhao for a useful correspondence. This work was supported by the Belgian Science Policy (IAP) and the Flemish Science Foundation (FWO-VI). ; |
Approved |
Most recent IF: 6.337; 2011 IF: 5.378 |
| Call Number |
UA @ lucian @ c:irua:90877 |
Serial |
3275 |
| Permanent link to this record |
| |
|
| |
| Author |
Tzedaki, G.; M.; Turner, S.; Godet, S.; De Graeve, I.; Kernig, B.; Hasenclever, J.; Terryn, H. |
| Title |
Structure and formation mechanism of rolled-in oxide areas on aluminum lithographic printing sheets |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Scripta materialia |
Abbreviated Journal |
Scripta Mater |
| Volume |
68 |
Issue |
5 |
Pages |
233-236 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
The subsurface area introduced during rolling on the 1100 aluminum alloy series alters its surface properties, which makes it more susceptible to corrosion. A combination of different transmission electron microscopy techniques is employed to observe the orientation of small grain structures and the distribution elements in the subsurface layer. This approach provided valuable insight into the formation mechanism of the layer and the phenomena taking place during rolling. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000314012000003 |
Publication Date |
2012-10-23 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1359-6462; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.747 |
Times cited |
6 |
Open Access |
|
| Notes |
Fwo |
Approved |
Most recent IF: 3.747; 2013 IF: 2.968 |
| Call Number |
UA @ lucian @ c:irua:105288 |
Serial |
3277 |
| Permanent link to this record |
| |
|
| |
| Author |
Fang, C.M.; van Huis, M.A.; Zandbergen, H.W. |
| Title |
Structure and stability of Fe2 phases from density-functional theory calculations |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Scripta materialia |
Abbreviated Journal |
Scripta Mater |
| Volume |
63 |
Issue |
4 |
Pages |
418-421 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Fe(2)C plays a crucial role in the precipitation of iron carbides. Jack's structural models for epsilon-Fe(2)C, and non-stoichiometric epsilon-Fe(2.4)C, are analyzed using first-principles calculations. Several new configurations of epsilon-Fe(2)C with even higher stability are found. We show how epsilon-Fe(2)C transforms into eta-Fe(2)C, and address the structural relationships with the chi-Fe(5)C(2), theta-Fe(3)C and Fe(7)C(3) phases. The relative occurrence of these phases in steel, as well as their probable evolution during tempering of quenched steels, is discussed. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000279496000017 |
Publication Date |
2010-05-03 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1359-6462; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.747 |
Times cited |
32 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.747; 2010 IF: 2.820 |
| Call Number |
UA @ lucian @ c:irua:95591 |
Serial |
3299 |
| Permanent link to this record |
| |
|
| |
| Author |
Wang, B.; Idrissi, H.; Shi, H.; Colla, M.S.; Michotte, S.; Raskin, J.P.; Pardoen, T.; Schryvers, D. |
| Title |
Texture-dependent twin formation in nanocrystalline thin Pd films |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Scripta materialia |
Abbreviated Journal |
Scripta Mater |
| Volume |
66 |
Issue |
11 |
Pages |
866-871 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Nanocrystalline Pd films were produced by electron-beam evaporation and sputter deposition. The electron-beam-evaporated films reveal randomly oriented nanograins with a relatively high density of growth twins, unexpected in view of the high stacking fault energy of Pd. In contrast, sputter-deposited films show a clear 〈1 1 1〉 crystallographic textured nanostructure without twins. These results provide insightful information to guide the generation of microstructures with enhanced strength/ductility balance in high stacking fault energy nanocrystalline metallic thin films. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000303621900007 |
Publication Date |
2012-01-31 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1359-6462; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.747 |
Times cited |
19 |
Open Access |
|
| Notes |
Iap; Fwo |
Approved |
Most recent IF: 3.747; 2012 IF: 2.821 |
| Call Number |
UA @ lucian @ c:irua:96955 |
Serial |
3566 |
| Permanent link to this record |
| |
|
| |
| Author |
Mooij, L.; Perkisas, T.; Palsson, G.; Schreuders, H.; Wolff, M.; Hjorvarsson, B.; Bals, S.; Dam, B. |
| Title |
The effect of microstructure on the hydrogenation of Mg/Fe thin film multilayers |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
International journal of hydrogen energy |
Abbreviated Journal |
Int J Hydrogen Energ |
| Volume |
39 |
Issue |
30 |
Pages |
17092-17103 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Nanoconfined magnesium hydride can be simultaneously protected and thermodynamically destabilized when interfaced with materials such as Ti and Fe. We study the hydrogenation of thin layers of Mg (<14 nm) nanoconfined in one dimension within thin film Fe/Mg/Fe/Pd multilayers by the optical technique Hydrogenography. The hydrogenation of nanosized magnesium layers in Fe/Mg/Fe multilayers surprisingly shows the presence of multiple plateau pressures, whose nature is thickness dependent. In contrast, hydrogen desorption occurs via a single plateau which does not depend on the Mg layer thickness. From structural and morphological analyses with X-ray diffraction/reflectometry and cross-section TEM, we find that the Mg layer roughness is large when deposited on Fe and furthermore contains high-angle grain boundaries (GB's). When grown on Ti, the Mg layer roughness is low and no high-angle GB's are detected. From a Ti/Mg/Fe multilayer, in which the Mg layer is flat and has little or no GB's, we conclude that MgH2 is indeed destabilized by the interface with Fe. In this case, both the ab- and desorption plateau pressures are increased by a factor two compared to the hydrogenation of Mg within Ti/Mg/Ti multilayers. We hypothesize that the GB's in the Fe/Mg/Fe multilayer act as diffusion pathways for Pd, which is known to greatly alter the hydrogenation behavior of Mg when the two materials share an interface. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000343839000031 |
Publication Date |
2014-09-10 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0360-3199; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.582 |
Times cited |
15 |
Open Access |
Not_Open_Access |
| Notes |
COST Action MP1103 |
Approved |
Most recent IF: 3.582; 2014 IF: 3.313 |
| Call Number |
UA @ lucian @ c:irua:121175 |
Serial |
3575 |
| Permanent link to this record |
| |
|
| |
| Author |
Launois, P.; Chorro, M.; Verberck, B.; Albouy, P.-A.; Rouzière, S.; Colson, D.; Forget, A.; Noé, L.; Kataura, H.; Monthioux, M.; Cambedouzou, J. |
| Title |
Transformation of C70 peapods into double walled carbon nanotubes |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| Volume |
48 |
Issue |
1 |
Pages |
89-98 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
X-ray diffraction studies comparing the transformation of C(60) and C(70) peapods into double walled carbon nanotubes are presented. The structures of the as-formed DWCNTs are strikingly similar, showing that they are not dependent on the nature of the fullerene precursor. High temperature X-ray diffraction measurements of C(70) peapods below the coalescence temperature show that confined C(70) molecules in large tubes undergo an orientational. transition to free rotations. Fast re-orientations of C(70) molecules allow cyclo-addition between adjacent fullerenes to form, in good agreement with the mechanism of coalescence proposed in the literature for C(60) molecules. (C) 2009 Elsevier Ltd. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000272018800012 |
Publication Date |
2009-08-30 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.337 |
Times cited |
27 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 6.337; 2010 IF: 4.896 |
| Call Number |
UA @ lucian @ c:irua:94389 |
Serial |
3696 |
| Permanent link to this record |
| |
|
| |
| Author |
Leroux, O.; Leroux, F.; Bagniewska-Zadworna,.; Knox, J.P.; Claeys, M.; Bals, S.; Viane, R.L.L. |
| Title |
Ultrastructure and composition of cell wall appositions in the roots of Asplenium (Polypodiales) |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Micron |
Abbreviated Journal |
Micron |
| Volume |
42 |
Issue |
8 |
Pages |
863-870 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Cell wall appositions (CWAs), formed by the deposition of extra wall material at the contact site with microbial organisms, are an integral part of the response of plants to microbial challenge. Detailed histological studies of CWAs in fern roots do not exist. Using light and electron microscopy we examined the (ultra)structure of CWAs in the outer layers of roots of Asplenium species. All cell walls studded with CWAs were impregnated with yellow-brown pigments. CWAs had different shapes, ranging from warts to elongated branched structures, as observed with scanning and transmission electron microscopy. Ultrastructural study further showed that infecting fungi grow intramurally and that they are immobilized by CWAs when attempting to penetrate intracellularly. Immunolabelling experiments using monoclonal antibodies indicated pectic homogalacturonan, xyloglucan, mannan and cellulose in the CWAs, but tests for lignins and callose were negative. We conclude that these appositions are defense-related structures made of a non-lignified polysaccharide matrix on which phenolic compounds are deposited in order to create a barrier protecting the root against infections. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000294942600013 |
Publication Date |
2011-06-24 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0968-4328; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.98 |
Times cited |
20 |
Open Access |
|
| Notes |
Fwo |
Approved |
Most recent IF: 1.98; 2011 IF: 1.527 |
| Call Number |
UA @ lucian @ c:irua:92540 |
Serial |
3798 |
| Permanent link to this record |
| |
|
| |
| Author |
Lemoine, G.; Delannay, L.; Idrissi, H.; Colla, M.-S.; Pardoen, T. |
| Title |
Dislocation and back stress dominated viscoplasticity in freestanding sub-micron Pd films |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Acta materialia |
Abbreviated Journal |
Acta Mater |
| Volume |
111 |
Issue |
111 |
Pages |
10-21 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
A dislocation-based crystal plasticity model is developed in order to study the mechanical and creep/ relaxation behaviour of polycrystalline metallic thin films. The model accounts for the confinement of plasticity due to grain boundaries and for the anisotropy of individual grains, as well as for the significant viscoplastic effects associated to dislocation dominated thermally activated mechanisms. Numerical predictions are assessed based on experimental tensile test followed by relaxation on freestanding Pd films, based on an on-chip test technique. The dislocation-based mechanism assumption captures all the experimental trends, including the stress strain response, the relaxation behaviour and the dislocation density evolution, confirming the dominance of a dislocation driven deformation mechanism for the present Pd films with high defects density. The model has also been used to address some original experimental evidences involving back stresses, Bauschinger effect, backward creep and strain recovery. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000375812100002 |
Publication Date |
2016-03-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1359-6454 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
5.301 |
Times cited |
6 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 5.301 |
| Call Number |
UA @ lucian @ c:irua:133636 |
Serial |
4162 |
| Permanent link to this record |
| |
|
| |
| Author |
Ercolani, G.; Gorle, C.; Garcia Sánchez, C.; Corbari, C.; Mancini, M. |
| Title |
RAMS and WRF sensitivity to grid spacing in large-eddy simulations of the dry convective boundary layer |
Type |
A1 Journal article |
| Year |
2015 |
Publication |
Computers and fluids |
Abbreviated Journal |
Comput Fluids |
| Volume |
123 |
Issue |
123 |
Pages |
54-71 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Large-eddy simulations (LESS) are frequently used to model the planetary boundary layer, and the choice of the grid cell size, numerical schemes and sub grid model can significantly influence the simulation results. In the present paper the impact of grid spacing on LES of an idealized atmospheric convective boundary layer (CBL), for which the statistics and flow structures are well understood, is assessed for two mesoscale models: the Regional Atmospheric Modeling System (RAMS) and the Weather Research and Forecasting model (WRF). Nine simulations are performed on a fixed computational domain (6 x 6 x 2 km), combining three different horizontal (120, 60, 30 m) and vertical (20, 10, 5 m) spacings. The impact of the cell size on the CBL is investigated by comparing turbulence statistics and velocity spectra. The results demonstrate that both WRF and RAMS can perform LES of the CBL under consideration without requiring extremely high computational loads, but they also indicate the importance of adopting a computational grid that is adequate for the numerical schemes and subgrid models used. In both RAMS and WRF a horizontal cell size of 30 m is required to obtain a suitable turbulence reproduction throughout the CBL height. Considering the vertical grid spacing, WRF produced similar results for all the three tested values, while in RAMS it should be ensured that the aspect ratio of the cells does not exceed a value of 3. The two models were found to behave differently in function of the grid resolution, and they have different shortcomings in their prediction of CBL turbulence. WRF exhibits enhanced damping at the smallest scales, while RAMS is prone to the appearance of spurious fluctuations in the flow when the grid aspect ratio is too high. (C) 2015 Elsevier Ltd. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000365367500006 |
Publication Date |
2015-10-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0045-7930 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.313 |
Times cited |
3 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.313; 2015 IF: 1.619 |
| Call Number |
UA @ lucian @ c:irua:130200 |
Serial |
4236 |
| Permanent link to this record |
| |
|
| |
| Author |
Callini, E.; Aguey-Zinsou, K.F.; Ahuja, R.; Ares, J.R.; Bals, S.; Biliškov, N.; Chakraborty, S.; Charalambopoulou, G.; Chaudhary, A.L.; Cuevas, F.; Dam, B.; de Jongh, P.; Dornheim, M.; Filinchuk, Y.; Grbović Novaković, J.; Hirscher, M.; Jensen, T.R.; Jensen, P.B.; Novaković, N.; Lai, Q.; Leardini, F.; Gattia, D.M.; Pasquini, L.; Steriotis, T.; Turner, S.; Vegge, T.; Züttel, A.; Montone, A. |
| Title |
Nanostructured materials for solid-state hydrogen storage : a review of the achievement of COST Action MP1103 |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
International journal of hydrogen energy
T2 – E-MRS Fall Meeting / Symposium C on Hydrogen Storage in Solids -, Materials, Systems and Aplication Trends, SEP 15-18, 2015, Warsaw, POLAND |
Abbreviated Journal |
Int J Hydrogen Energ |
| Volume |
41 |
Issue |
41 |
Pages |
14404-14428 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
In the framework of the European Cooperation in Science and Technology (COST) Action MP1103 Nanostructured Materials for Solid-State Hydrogen Storage were synthesized, characterized and modeled. This Action dealt with the state of the art of energy storage and set up a competitive and coordinated network capable to define new and unexplored ways for Solid State Hydrogen Storage by innovative and interdisciplinary research within the European Research Area. An important number of new compounds have been synthesized: metal hydrides, complex hydrides, metal halide ammines and amidoboranes. Tuning the structure from bulk to thin film, nanoparticles and nanoconfined composites improved the hydrogen sorption properties and opened the perspective to new technological applications. Direct imaging of the hydrogenation reactions and in situ measurements under operando conditions have been carried out in these studies. Computational screening methods allowed the prediction of suitable compounds for hydrogen storage and the modeling of the hydrogen sorption reactions on mono-, bi-, and three-dimensional systems. This manuscript presents a review of the main achievements of this Action. (C) 2016 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Pergamon-elsevier science ltd |
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000381950800051 |
Publication Date |
2016-05-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0360-3199 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.582 |
Times cited |
89 |
Open Access |
Not_Open_Access |
| Notes |
All the authors greatly thank the COST Action MP1103 for financial support. |
Approved |
Most recent IF: 3.582 |
| Call Number |
UA @ lucian @ c:irua:135723 |
Serial |
4307 |
| Permanent link to this record |
| |
|
| |
| Author |
Bleiner, D.; Macri, M.; Gasser, P.; Sautter, V.; Maras, A. |
| Title |
FIB, TEM and LA-ICPMS investigations on melt inclusions in Martian meteorites – Analytical capabilities and geochemical insights |
Type |
A1 Journal article |
| Year |
2006 |
Publication |
Talanta : the international journal of pure and applied analytical chemistry |
Abbreviated Journal |
Talanta |
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
In order to obtain full information coverage on melt inclusions in Martian meteorites (subgroup nakhlites) complementary micro-analytical techniques were used, i.e. focused ion beam, transmission electron microscopy and laser ablation. Using focused ion beam several lamellae for transmission electron microscopy were prepared and secondary electron images of cross-sections could be acquired. Laser ablation-inductively coupled plasma mass spectrometry analyses were performed on selected inclusions to obtain mass-oriented bulk composition of inclusions at depth. The differences in composition between melt inclusions in olivine and augite crystals would suggest a xenocrystic origin for olivine. Furthermore, electron diffraction patterns clearly indicated that the SiO2-rich phase in inclusions from augite in meteorites from Northwest Africa site is re-crystallized, whereas it is still vitreous in the inclusions from Nakhla sampling site. Therefore, different post-entrapment evolutions were active for the two nakhlite meteorite sets, the Nakhla and the NWA817 set. Melt inclusions in Nakhla olivine presented alteration veins, which were presumably produced before their landing on Earth. If this is the case, this would indicate a alteration stage already on Mars with all the consequence in terms of climate history. Melt inclusions in Nakhla augite resulted unaffected by any alteration or modification following the entrapment, and therefore represent the best candidate to indicate the pristine magma composition. (c) 2005 Elsevier B.V. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Pergamon |
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000235509900028 |
Publication Date |
2005-09-24 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0039-9140; 1873-3573 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.162 |
Times cited |
9 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4.162; 2006 IF: 2.810 |
| Call Number |
UA @ lucian @ c:irua:95092 |
Serial |
4519 |
| Permanent link to this record |
| |
|
| |
| Author |
Li, L.; Kong, X.; Leenaerts, O.; Chen, X.; Sanyal, B.; Peeters, F.M. |
| Title |
Carbon-rich carbon nitride monolayers with Dirac cones : Dumbbell C4N |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| Volume |
118 |
Issue |
118 |
Pages |
285-290 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Two-dimensional (2D) carbon nitride materials play an important role in energy-harvesting, energy-storage and environmental applications. Recently, a new carbon nitride, 2D polyaniline (C3N) was proposed [PNAS 113 (2016) 7414-7419]. Based on the structure model of this C3N monolayer, we propose two new carbon nitride monolayers, named dumbbell (DB) C4N-I and C4N-II. Using first-principles calculations, we systematically study the structure, stability, and band structure of these two materials. In contrast to other carbon nitride monolayers, the orbital hybridization of the C/N atoms in the DB C4N monolayers is sp(3). Remarkably, the band structures of the two DB C4N monolayers have a Dirac cone at the K point and their Fermi velocities (2.6/2.4 x 10(5) m/s) are comparable to that of graphene. This makes them promising materials for applications in high-speed electronic devices. Using a tight-binding model, we explain the origin of the Dirac cone. (C) 2017 Elsevier Ltd. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000401120800033 |
Publication Date |
2017-03-16 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0008-6223 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.337 |
Times cited |
36 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 6.337 |
| Call Number |
UA @ lucian @ c:irua:143726 |
Serial |
4588 |
| Permanent link to this record |
| |
|
| |
| Author |
Hoang, D.-Q.; Korneychuk, S.; Sankaran, K.J.; Pobedinskas, P.; Drijkoningen, S.; Turner, S.; Van Bael, M.K.; Verbeeck, J.; Nicley, S.S.; Haenen, K. |
| Title |
Direct nucleation of hexagonal boron nitride on diamond : crystalline properties of hBN nanowalls |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Acta materialia |
Abbreviated Journal |
Acta Mater |
| Volume |
127 |
Issue |
|
Pages |
17-24 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Hexagonal boron nitride (hBN) nanowalls were deposited by unbalanced radio frequency sputtering on (100)-oriented silicon, nanocrystalline diamond films, and amorphous silicon nitride (Si3N4) membranes. The hBN nanowall structures were found to grow vertically with respect to the surface of all of the substrates. To provide further insight into the nucleation phase and possible lattice distortion of the deposited films, the structural properties of the different interfaces were characterized by transmission electron microscopy. For Si and Si3N4 substrates, turbostratic and amorphous BN phases form a clear transition zone between the substrate and the actual hBN phase of the bulk nanowalls. However, surprisingly, the presence of these phases was suppressed at the interface with a nanocrystalline diamond film, leading to a direct coupling of hBN with the diamond surface, independent of the vertical orientation of the diamond grain. To explain these observations, a growth mechanism is proposed in which the hydrogen terminated surface of the nanocrystalline diamond film leads to a rapid formation of the hBN phase during the initial stages of growth, contrary to the case of Si and Si3N4 substrates. (C) 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
|
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1359-6454 |
ISBN |
|
Additional Links |
UA library record; ; WoS full record; WoS citing articles |
| Impact Factor |
5.301 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 5.301 |
| Call Number |
UA @ lucian @ c:irua:142398 |
Serial |
4645 |
| Permanent link to this record |
| |
|
| |
| Author |
da Silva, A.L.C.; Candido, L.; Teixeira Rabelo, J.N.; Hai, G.-Q.; Peeters, F.M. |
| Title |
Anharmonic effects on thermodynamic properties of a graphene monolayer |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Europhysics letters |
Abbreviated Journal |
Epl-Europhys Lett |
| Volume |
107 |
Issue |
5 |
Pages |
56004 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We extend the unsymmetrized self-consistent-field method (USF) for anharmonic crystals to layered non-Bravais crystals to investigate structural, dynamical and thermodynamic properties of a free-standing graphene monolayer. In this theory, the main anharmonicity of the crystal lattice has been included and the quantum corrections are taken into account in an h-expansion for the one-particle density matrix. The obtained result for the thermal expansion coefficient (TEC) of graphene shows a strong temperature dependence and agrees with experimental results by Bao et al. (Nat. Nanotechnol., 4 (2009) 562). The obtained value of TEC at room temperature (300 K) is -6.4 x 10(- 6) K- 1 and it becomes positive for T > T-alpha = 358K. We find that quantum effects are significant for T < 1000 K. The interatomic distance, effective amplitudes of the graphene lattice vibrations, adiabatic and isothermal bulk moduli, isobaric and isochoric heat capacities are also calculated and their temperature dependences are determined. Copyright (C) EPLA, 2014 |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Paris |
Editor |
|
| Language |
|
Wos |
000341559900020 |
Publication Date |
2014-09-05 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0295-5075;1286-4854; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.957 |
Times cited |
23 |
Open Access |
|
| Notes |
; This research was supported by the Brazilian agencies CNPq, FAPEG and FAPESP, the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ; |
Approved |
Most recent IF: 1.957; 2014 IF: 2.095 |
| Call Number |
UA @ lucian @ c:irua:119289 |
Serial |
118 |
| Permanent link to this record |
| |
|
| |
| Author |
Elmurodov, A.K.; Vodolazov, D.Y.; Peeters, F.M. |
| Title |
The break-up of the vortex structure in a mesoscopic wire containing a constriction |
Type |
A1 Journal article |
| Year |
2006 |
Publication |
Europhysics letters |
Abbreviated Journal |
Epl-Europhys Lett |
| Volume |
74 |
Issue |
1 |
Pages |
151-155 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Paris |
Editor |
|
| Language |
|
Wos |
000236197000023 |
Publication Date |
2006-02-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0295-5075;1286-4854; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.957 |
Times cited |
11 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.957; 2006 IF: 2.229 |
| Call Number |
UA @ lucian @ c:irua:57460 |
Serial |
255 |
| Permanent link to this record |
| |
|
| |
| Author |
Reijniers, J.; Matulis, A.; Chang, K.; Peeters, F.M.; Vasilopoulos, P. |
| Title |
Confined magnetic guiding orbit states |
Type |
A1 Journal article |
| Year |
2002 |
Publication |
Europhysics letters |
Abbreviated Journal |
Epl-Europhys Lett |
| Volume |
59 |
Issue |
5 |
Pages |
749-753 |
| Keywords |
A1 Journal article; Engineering Management (ENM); Condensed Matter Theory (CMT) |
| Abstract |
We show how snake-orbit states which run along a magnetic edge can be confined electrically. We consider a two-dimensional electron gas (2DEG) confined into a quantum wire, subjected to a strong perpendicular and steplike magnetic field B/ − B. Close to this magnetic step, new, spatially confined bound states arise as a result of the lateral confinement and the magnetic-field step. The number of states, with energy below the first Landau level, increases as B becomes stronger or as the wire width becomes larger. These bound states can be understood as an interference between two counter-propagating one-dimensional snake-orbit states. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Paris |
Editor |
|
| Language |
|
Wos |
000177761700018 |
Publication Date |
2003-12-23 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0295-5075;1286-4854; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.957 |
Times cited |
26 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.957; 2002 IF: 2.360 |
| Call Number |
UA @ lucian @ c:irua:92387 |
Serial |
483 |
| Permanent link to this record |
| |
|
| |
| Author |
Connolly, M.R.; Milošević, M.V.; Bending, S.J.; Clem, J.R.; Tamegai, T. |
| Title |
Continuum vs. discrete flux behaviour in large mesoscopic Bi2Sr2CaCu2O8+\delta disks |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Europhysics letters |
Abbreviated Journal |
Epl-Europhys Lett |
| Volume |
85 |
Issue |
1 |
Pages |
17008,1-17008,6 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Scanning Hall probe and local Hall magnetometry measurements have been used to investigate flux distributions in large mesoscopic superconducting disks with sizes that lie near the crossover between the bulk and mesoscopic vortex regimes. Results obtained by directly mapping the magnetic induction profiles of the disks at different applied fields can be quite successfully fitted to analytic models which assume a continuous distribution of flux in the sample. At low fields, however, we do observe clear signatures of the underlying discrete vortex structure and can resolve the characteristic mesoscopic compression of vortex clusters in increasing magnetic fields. Even at higher fields, where single-vortex resolution is lost, we are still able to track configurational changes in the vortex patterns, since competing vortex orders impose unmistakable signatures on “local” magnetisation curves as a function of the applied field. Our observations are in excellent agreement with molecular-dynamics numerical simulations which lead us to a natural definition of the lengthscale for the crossover between discrete and continuum behaviours in our system. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Paris |
Editor |
|
| Language |
|
Wos |
000263692500029 |
Publication Date |
2009-01-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0295-5075;1286-4854; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.957 |
Times cited |
17 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.957; 2009 IF: 2.893 |
| Call Number |
UA @ lucian @ c:irua:76306 |
Serial |
495 |
| Permanent link to this record |
