Records |
Author |
Yagmurcukardes, M.; Mogulkoc, Y.; Akgenc, B.; Mogulkoc, A.; Peeters, F.M. |
Title |
Prediction of monoclinic single-layer Janus Ga₂ Te X (X = S and Se) : strong in-plane anisotropy |
Type |
A1 Journal article |
Year |
2021 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
Volume |
104 |
Issue |
4 |
Pages |
045425 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
By using density functional theory (DFT) based first-principles calculations, electronic, vibrational, piezo-electric, and optical properties of monoclinic Janus single-layer Ga2TeX (X = S or Se) are investigated. The dynamical, mechanical, and thermal stability of the proposed Janus single layers are verified by means of phonon bands, stiffness tensor, and quantum molecular dynamics simulations. The calculated vibrational spectrum reveals the either pure or coupled optical phonon branches arising from Ga-Te and Ga-X atoms. In addition to the in-plane anisotropy, single-layer Janus Ga2TeX exhibits additional out-of-plane asymmetry, which leads to important consequences for its electronic and optical properties. Electronic band dispersions indicate the direct band-gap semiconducting nature of the constructed Janus structures with energy band gaps falling into visible spectrum. Moreover, while orientation-dependent linear-elastic properties of Janus single layers indicate their strong anisotropy, the calculated in-plane stiffness values reveal the ultrasoft nature of the structures. In addition, predicted piezoelectric coefficients show that while there is a strong in-plane anisotropy between piezoelectric constants along armchair (AC) and zigzag (ZZ) directions, there exists a tiny polarization along the out-of-plane direction as a result of the formation of Janus structure. The optical response to electromagnetic radiation has been also analyzed through density functional theory by considering the independent-particle approximation. Finally, the optical spectra of Janus Ga2TeX structures is investigated and it showed a shift from the ultraviolet region to the visible region. The fact that the spectrum is between these regions will allow it to be used in solar energy and many nanoelectronics applications. The predicted monoclinic single-layer Janus Ga2TeX are relevant for promising applications in optoelectronics, optical dichroism, and anisotropic nanoelasticity. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
|
Language |
|
Wos |
000678811100007 |
Publication Date |
2021-07-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
14 |
Open Access |
Not_Open_Access |
Notes |
|
Approved |
Most recent IF: 3.836 |
Call Number |
UA @ admin @ c:irua:180404 |
Serial |
7013 |
Permanent link to this record |
|
|
|
Author |
Cai, J.; Griffin, E.; Guarochico-Moreira, V.H.; Barry, D.; Xin, B.; Yagmurcukardes, M.; Zhang, S.; Geim, A.K.; Peeters, F.M.; Lozada-Hidalgo, M. |
Title |
Wien effect in interfacial water dissociation through proton-permeable graphene electrodes |
Type |
A1 Journal article |
Year |
2022 |
Publication |
Nature communications |
Abbreviated Journal |
Nat Commun |
Volume |
13 |
Issue |
1 |
Pages |
5776-5777 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
Strong electric fields can accelerate molecular dissociation reactions. The phenomenon known as the Wien effect was previously observed using high-voltage electrolysis cells that produced fields of about 10(7) V m(-1), sufficient to accelerate the dissociation of weakly bound molecules (e.g., organics and weak electrolytes). The observation of the Wien effect for the common case of water dissociation (H2O reversible arrow H+ + OH-) has remained elusive. Here we study the dissociation of interfacial water adjacent to proton-permeable graphene electrodes and observe strong acceleration of the reaction in fields reaching above 10(8) V m(-1). The use of graphene electrodes allows measuring the proton currents arising exclusively from the dissociation of interfacial water, while the electric field driving the reaction is monitored through the carrier density induced in graphene by the same field. The observed exponential increase in proton currents is in quantitative agreement with Onsager's theory. Our results also demonstrate that graphene electrodes can be valuable for the investigation of various interfacial phenomena involving proton transport. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
|
Wos |
000862552600012 |
Publication Date |
2022-10-01 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2041-1723 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
16.6 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
14 |
Open Access |
OpenAccess |
Notes |
|
Approved |
Most recent IF: 16.6 |
Call Number |
UA @ admin @ c:irua:191575 |
Serial |
7228 |
Permanent link to this record |
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|
|
Author |
Schowalter, M.; Titantah, J.T.; Lamoen, D.; Kruse, P. |
Title |
Ab initio computation of the mean inner Coulomb potential of amorphous carbon structures |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
86 |
Issue |
|
Pages |
112102 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000228050700042 |
Publication Date |
2005-03-04 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2005 IF: 4.127 |
Call Number |
UA @ lucian @ c:irua:51764 |
Serial |
31 |
Permanent link to this record |
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|
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Author |
Wu, X.G.; Peeters, F.M.; Wang, Y.J.; McCombe, B.D. |
Title |
Blocking of the polaron effect and spin-split cyclotron resonance in a two-dimensional electron gas |
Type |
A1 Journal article |
Year |
2000 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
Volume |
84 |
Issue |
|
Pages |
4934-4937 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000087114400038 |
Publication Date |
2002-07-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0031-9007;1079-7114; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.462 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 8.462; 2000 IF: 6.462 |
Call Number |
UA @ lucian @ c:irua:28517 |
Serial |
245 |
Permanent link to this record |
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|
Author |
Gee, P.J.; Peeters, F.M.; Singleton, J.; Uji, S.; Aoki, H.; Foxon, C.T.B.; Harris, J.J. |
Title |
Composite fermions in tilded magnetic fields and the effect of the confining potential width on the composite fermion effective mass |
Type |
A1 Journal article |
Year |
1996 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
54 |
Issue |
|
Pages |
R14313-R14316 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
A1996VX71700024 |
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121; 0163-1829 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.736 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:15787 |
Serial |
440 |
Permanent link to this record |
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|
|
Author |
Gillie, L.J.; Palmer, H.M.; Wright, A.J.; Hadermann, J.; Van Tendeloo, G.; Greaves, C. |
Title |
Crystallographic and magnetic structures of Y0.8Sr2.2Mn2GaO8-\delta: a new vacancy-ordered perovskite structure |
Type |
A1 Journal article |
Year |
2004 |
Publication |
The journal of physics and chemistry of solids |
Abbreviated Journal |
J Phys Chem Solids |
Volume |
65 |
Issue |
|
Pages |
87-93 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000188127400014 |
Publication Date |
2003-10-16 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-3697; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.059 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.059; 2004 IF: 0.988 |
Call Number |
UA @ lucian @ c:irua:43875 |
Serial |
585 |
Permanent link to this record |
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|
|
Author |
Zeng, Y.-J.; Schouteden, K.; Amini, M.N.; Ruan, S.-C.; Lu, Y.-F.; Ye, Z.-Z.; Partoens, B.; Lamoen, D.; Van Haesendonck, C. |
Title |
Electronic band structures and native point defects of ultrafine ZnO nanocrystals |
Type |
A1 Journal article |
Year |
2015 |
Publication |
ACS applied materials and interfaces |
Abbreviated Journal |
Acs Appl Mater Inter |
Volume |
7 |
Issue |
7 |
Pages |
10617-10622 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
Abstract |
Ultrafine ZnO nanocrystals with a thickness down to 0.25 nm are grown by a metalorganic chemical vapor deposition method. Electronic band structures and native point defects of ZnO nanocrystals are studied by a combination of scanning tunneling microscopy/spectroscopy and first-principles density functional theory calculations. Below a critical thickness of nm ZnO adopts a graphitic-like structure and exhibits a wide band gap similar to its wurtzite counterpart. The hexagonal wurtzite structure, with a well-developed band gap evident from scanning tunneling spectroscopy, is established for a thickness starting from similar to 1.4 nm. With further increase of the thickness to 2 nm, V-O-V-Zn defect pairs are easily produced in ZnO nanocrystals due to the self-compensation effect in highly doped semiconductors. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000355055000063 |
Publication Date |
2015-04-29 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1944-8244;1944-8252; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
7.504 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
|
Notes |
Hercules; EWI |
Approved |
Most recent IF: 7.504; 2015 IF: 6.723 |
Call Number |
c:irua:126408 |
Serial |
999 |
Permanent link to this record |
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|
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Author |
Sena, S.H.R.; Pereira, J.M.; Farias, G.A.; Peeters, F.M.; Costa Filho, R.N. |
Title |
The electronic properties of graphene and graphene ribbons under simple shear strain |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
Volume |
24 |
Issue |
37 |
Pages |
375301 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
A tight-binding model is used to study the energy band of graphene and graphene ribbon under simple shear strain. The ribbon consists of lines of carbon atoms in an armchair or zigzag orientation where a simple shear strain is applied in the x-direction keeping the atomic distances in the y-direction unchanged. Such modification in the lattice gives an energy band that differs in several aspects from the one without any shear and with pure shear. The changes in the spectrum depend on the line displacement of the ribbon, and also on the modified hopping parameter. It is also shown that this simple shear strain tunes the electronic properties of both graphene and graphene ribbon, opening and closing energy gaps for different displacements of the system. The modified density of states is also shown. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000308202700011 |
Publication Date |
2012-08-14 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.649 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
|
Notes |
; This work was supported by CNPq (RNCF), the National Council for the Improvement of Higher Education (CAPES), the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the bilateral program between Flanders and Brazil. ; |
Approved |
Most recent IF: 2.649; 2012 IF: 2.355 |
Call Number |
UA @ lucian @ c:irua:101838 |
Serial |
1000 |
Permanent link to this record |
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|
|
Author |
Vandebroek, M.; Belis, J.; Louter, C.; Van Tendeloo, G. |
Title |
Experimental validation of edge strength model for glass with polished and cut edge finishing |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Engineering fracture mechanics |
Abbreviated Journal |
Eng Fract Mech |
Volume |
96 |
Issue |
|
Pages |
480-489 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
In literature, the experimental validation of a glass edge strength model is lacking. Therefore, in this study, an edge strength model was established and validated. The short-term parameters of the edge strength model, i.e. the flaw geometry and depth, were determined by means of testing at a high stress rate. This was done for polished and cut edges. Next, the strength model, including subcritical crack growth, was established. Finally, the edge strength model was validated by the test results at a low stress rate. The assessed model was found to be slightly conservative, compared to the test results. |
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
Language |
|
Wos |
000313384300034 |
Publication Date |
2012-09-04 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0013-7944; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.151 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.151; 2012 IF: 1.413 |
Call Number |
UA @ lucian @ c:irua:105285 |
Serial |
1145 |
Permanent link to this record |
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|
|
Author |
Slachmuylders, A.F.; Partoens, B.; Peeters, F.M. |
Title |
Geometry and magnetic-field-induced vortices and antivortices in mesoscopic two-dimensional systems |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
71 |
Issue |
|
Pages |
245405,1-10 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000230276900095 |
Publication Date |
2005-06-06 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2005 IF: 3.185 |
Call Number |
UA @ lucian @ c:irua:62438 |
Serial |
1330 |
Permanent link to this record |
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|
|
Author |
Pospisilova, A.; Filippov, S.K.; Bogomolova, A.; Turner, S.; Sedlacek, O.; Matushkin, N.; Cernochova, Z.; Stepanek, P.; Hruby, M. |
Title |
Glycogen-graft-poly(2-alkyl-2-oxazolines) – the new versatile biopolymer-based thermoresponsive macromolecular toolbox |
Type |
A1 Journal article |
Year |
2014 |
Publication |
RSC advances |
Abbreviated Journal |
Rsc Adv |
Volume |
4 |
Issue |
106 |
Pages |
61580-61588 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
This study is focused on thermoresponsive glycogen-graft-poly(2-alkyl-2-oxazolines), a new group of nanostructured hybrid dendrimeric stimuli-responsive polymers connecting the body's own biodegradable polysaccharidic dendrimer glycogen with the widely tuneable thermoresponsive behavior of polypeptide-analogic poly(2-alkyl-2-oxazolines), which are known to be biocompatible. Glycogen-graft-poly(2-alkyl-2-oxazolines) were prepared by a simple one-pot two-step procedure involving cationic ring-opening polymerization of 2-alkyl-2-oxazolines followed by termination of the living cationic ends with sodium glycogenate. As confirmed by light and X-ray scattering, as well as cryo-transmission electron microscopy, the grafted dendrimer structure allows easy adjustment of the cloud point temperature, the concentration dependence and nanostructure of the self-assembled phase separated polymer by crosstalk during graft composition, the graft length and the grafting density, in a very wide range. |
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000345656600045 |
Publication Date |
2014-11-04 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2046-2069; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.108 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.108; 2014 IF: 3.840 |
Call Number |
UA @ lucian @ c:irua:122222 |
Serial |
1355 |
Permanent link to this record |
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|
|
Author |
de Clippel, F.; Harkiolakis, A.; Vosch, T.; Ke, X.; Giebeler, L.; Oswald, S.; Houthoofd, K.; Jammaer, J.; Van Tendeloo, G.; Martens, J.A.; Jacobs, P.A.; Baron, G.V.; Sels, B.F.; Denayer, J.F.M. |
Title |
Graphitic nanocrystals inside the pores of mesoporous silica : synthesis, characterization and an adsorption study |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Microporous and mesoporous materials: zeolites, clays, carbons and related materials |
Abbreviated Journal |
Micropor Mesopor Mat |
Volume |
144 |
Issue |
1/3 |
Pages |
120-133 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
This work presents a new carbonsilica hybrid material, denoted as CSM, with remarkable sorption properties. It consists of intraporous graphitic nanocrystals grown in the pores of mesoporous silica. CSM is obtained by a subtle incipient wetness impregnation of Al-containing mesoporous silica with furfuryl alcohol (FA)/hemelitol solutions. Both the volume match of the impregnation solution with that of the silica template pore volume, and the presence of Al3+ in the silica, are crucial to polymerize FA selectively inside the mesopores. Carbonization of the intraporous polymer was then performed by pyrolysis under He up to 1273 K. The resulting CSMs were examined by SEM, HRTEM, 27Al MAS NMR, N2 adsorption, XRD, TGA, TPD, XPS, pycnometry and Raman spectroscopy. Mildly oxidized graphitic-like carbon nanoblocks, consisting of a few graphene-like sheets, were thus identified inside the template mesopores. Random stacking of these carbon crystallites generates microporosity resulting in biporous materials at low carbon content and microporous materials at high carbon loadings. Very narrow pore distributions were obtained when pyrolysis was carried out under slow heating rate, viz. 1 K min−1. Adsorption and shape selective properties of the carbon filled mesoporous silica were studied by performing pulse chromatography and breakthrough experiments, and by measuring adsorption isotherms of linear and branched alkanes. Whereas the parent mesoporous silica shows unselective adsorption, their CSM analogues preferentially adsorb linear alkanes. The sorption capacity and selectivity can be adjusted by changing the pore size of the template or by varying the synthesis conditions. A relation between the carbon crystallites size and the shape selective behaviour of the corresponding CSM for instance is demonstrated. Most interestingly, CSM shows separation factors for linear and branched alkanes up to values comparable to those of zeolitic molecular sieves. |
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000293435400016 |
Publication Date |
2011-04-15 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1387-1811; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.615 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.615; 2011 IF: 3.285 |
Call Number |
UA @ lucian @ c:irua:92325 |
Serial |
1380 |
Permanent link to this record |
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|
|
Author |
Laffez, P.; Chen, X.Y.; Banerjee, G.; Pezeril, T.; Rossell, M.D.; Van Tendeloo, G.; Lacorre, P.; Liu, J.M.; Liu, Z.-G. |
Title |
Growth of La2Mo2O9 films on porous Al2O3 substrates by radio frequency magnetron sputtering |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Thin solid films : an international journal on the science and technology of thin and thick films |
Abbreviated Journal |
Thin Solid Films |
Volume |
500 |
Issue |
|
Pages |
27-33 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lausanne |
Editor |
|
Language |
|
Wos |
000235764600006 |
Publication Date |
2005-12-16 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0040-6090; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.879 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.879; 2006 IF: 1.666 |
Call Number |
UA @ lucian @ c:irua:57000 |
Serial |
1396 |
Permanent link to this record |
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|
|
Author |
Milošević, M.V.; Gillijns, W.; Silhanek, A.V.; Libál, A.; Peeters, F.M.; Moshchalkov, V.V. |
Title |
Guided nucleation of superconductivity on a graded magnetic substrate |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
96 |
Issue |
3 |
Pages |
032503,1-032503,3 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We demonstrate the controlled spatial nucleation of superconductivity in a thin film deposited on periodic arrays of ferromagnetic dots with gradually increasing diameter. The perpendicular magnetization of the dots induces vortex-antivortex molecules in the sample, with the number of (anti)vortices increasing with magnet size. The resulting gradient of antivortex density between the dots predetermines local nucleation of superconductivity in the sample as a function of the applied external field and temperature. In addition, the compensation between the applied magnetic field and the antivortices results in an unprecedented enhancement of the critical temperature. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000273890500034 |
Publication Date |
2010-01-22 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the ESF-NES program. W. G., A. V. S., and A. L. acknowledge individual support from FWO-Vlaanderen. ; |
Approved |
Most recent IF: 3.411; 2010 IF: 3.841 |
Call Number |
UA @ lucian @ c:irua:81504 |
Serial |
1400 |
Permanent link to this record |
|
|
|
Author |
Wu, M.F.; Zhou, S.; Yao, S.; Zhao, Q.; Vantomme, A.; van Daele, B.; Piscopiello, E.; Van Tendeloo, G.; Tong, Y.Z.; Yang, Z.J.; Yu, T.J.; Zhang, G.Y. |
Title |
High precision determination of the elastic strain of InGaN/GaN multiple quantum wells |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Journal of vacuum science and technology: B: microelectronics and nanometer structures |
Abbreviated Journal |
|
Volume |
22 |
Issue |
3 |
Pages |
920-924 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000222481400010 |
Publication Date |
2004-07-08 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0734-211X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:54863 |
Serial |
1437 |
Permanent link to this record |
|
|
|
Author |
Bertels, E.; Bruyninckx, K.; Kurttepeli; Smet, M.; Bals, S.; Goderis, B. |
Title |
Highly Efficient Hyperbranched CNT Surfactants: Influence of Molar Mass and Functionalization |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Langmuir: the ACS journal of surfaces and colloids |
Abbreviated Journal |
Langmuir |
Volume |
30 |
Issue |
41 |
Pages |
12200-12209 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
End-group-functionalized hyperbranched polymers were synthesized to act as a carbon nanotube (CNT) surfactant in aqueous solutions. Variation of the percentage of triphenylmethyl (trityl) functionalization and of the molar mass of the hyperbranched polyglycerol (PG) core resulted in the highest measured surfactant efficiency for a 5000 g/mol PG with 5.6% of the available hydroxyl end-groups replaced by trityl functions, as shown by UV-vis measurements. Semiempirical model calculations suggest an even higher efficiency for PG5000 with 2.5% functionalization and maximal molecule specific efficiency in general at low degrees of functionalization. Addition of trityl groups increases the surfactant-nanotube interactions in comparison to unfunctionalized PG because of pi-pi stacking interactions. However, at higher functionalization degrees mutual interactions between trityl groups come into play, decreasing the surfactant efficiency, while lack of water solubility becomes an issue at very high functionalization degrees. Low molar mass surfactants are less efficient compared to higher molar mass species most likely because the higher bulkiness of the latter allows for a better CNT separation and stabilization. The most efficient surfactant studied allowed dispersing 2.85 mg of CNT in 20 mL with as little as 1 mg of surfactant. These dispersions, remaining stable for at least 2 months, were mainly composed of individual CNTs as revealed by electron microscopy. |
Address |
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Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000343638800013 |
Publication Date |
2014-09-23 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0743-7463;1520-5827; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.833 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
OpenAccess |
Notes |
The authors gratefully acknowledge the SIM NanoForce programme for their financial support and thank the group of Prof. Thierry Verbiest, especially Maarten Bloemen, for the use of their UV−vis equipment. Bart Goderis and Mario Smet thank KU Leuven for financial support through a GOA project. Mert Kurttepeli and Sara Bals acknowledge funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant No. 335078 COLOURATOMS.; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 3.833; 2014 IF: 4.457 |
Call Number |
UA @ lucian @ c:irua:121140 |
Serial |
1471 |
Permanent link to this record |
|
|
|
Author |
Bindi, L.; Rossell, M.D.; Van Tendeloo, G.; Spry, P.G.; Cipriani, C. |
Title |
Inferred phase relations in part of the system Au-Ag-Te: an integrated analytical study of gold ore from the Golden Mile, Kalgoorlie, Australia |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Mineralogy and petrology |
Abbreviated Journal |
Miner Petrol |
Volume |
83 |
Issue |
3/4 |
Pages |
283-293 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Wien |
Editor |
|
Language |
|
Wos |
000227237500007 |
Publication Date |
2004-12-02 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0930-0708;1438-1168; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.236 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.236; 2005 IF: 0.831 |
Call Number |
UA @ lucian @ c:irua:54878 |
Serial |
1610 |
Permanent link to this record |
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|
|
Author |
Tian, H.; Verbeeck, J.; Brück, S.; Paul, M.; Kufer, D.; Sing, M.; Claessen, R.; Van Tendeloo, G. |
Title |
Interface-induced modulation of charge and polarization in thin film Fe3O4 |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Advanced materials |
Abbreviated Journal |
Adv Mater |
Volume |
26 |
Issue |
3 |
Pages |
461-465 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Charge and polarization modulations in Fe3O4 are controlled by taking advantage of interfacial strain effects. The feasibility of oxidation state control by strain modification is demonstrated and it is shown that this approach offers a stable configuration at room temperature. Direct evidence of how a local strain field changes the atomic coordination and introduces atomic displacements leading to polarization of Fe ions is presented. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
Language |
|
Wos |
000334289300011 |
Publication Date |
2013-10-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0935-9648; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
19.791 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
|
Notes |
Vortex; FWO; Countatoms; Hercules ECASJO_; |
Approved |
Most recent IF: 19.791; 2014 IF: 17.493 |
Call Number |
UA @ lucian @ c:irua:112419UA @ admin @ c:irua:112419 |
Serial |
1694 |
Permanent link to this record |
|
|
|
Author |
Partoens, B.; Matulis, A.; Peeters, F.M. |
Title |
Magnetoplasma excitations of two vertically coupled dots |
Type |
A1 Journal article |
Year |
1998 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
57 |
Issue |
|
Pages |
13039-13049 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000073999400054 |
Publication Date |
2002-07-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 1998 IF: NA |
Call Number |
UA @ lucian @ c:irua:24166 |
Serial |
1921 |
Permanent link to this record |
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|
|
Author |
Van Daele, B.; Van Tendeloo, G.; Derluyn, J.; Shrivastava, P.; Lorenz, A.; Leys, M.R.; Germain, M.; |
Title |
Mechanism for Ohmic contact formation on Si3N4 passivated AlGaN/GaN high-electron-mobility transistors |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
89 |
Issue |
20 |
Pages |
Artn 201908 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000242100200030 |
Publication Date |
2006-11-16 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
|
Notes |
Iap V-1; Fwo |
Approved |
Most recent IF: 3.411; 2006 IF: 3.977 |
Call Number |
UA @ lucian @ c:irua:61919 |
Serial |
1978 |
Permanent link to this record |
|
|
|
Author |
Zha, G.-Q.; Covaci, L.; Peeters, F.M.; Zhou, S.-P. |
Title |
Mixed pairing symmetries and flux-induced spin current in mesoscopic superconducting loops with spin correlations |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
91 |
Issue |
91 |
Pages |
214504 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We numerically investigate the mixed pairing symmetries inmesoscopic superconducting loops in the presence of spin correlations by solving the Bogoliubov-de Gennes equations self-consistently. The spatial variations of the superconducting order parameters and the spontaneous magnetization are determined by the band structure. When the threaded magnetic flux turns on, the charge and spin currents both emerge and depict periodic evolution. In the case of a mesoscopic loop with dominant triplet p(x) +/- ip(y)-wave symmetry, a slight change of the chemical potential may lead to novel flux-dependent evolution patterns of the ground-state energy and the magnetization. The spin-polarized currents show pronounced quantum oscillations with fractional periods due to the appearance of energy jumps in flux, accompanied with a steplike feature of the enhanced spin current. Particularly, at some appropriate flux, the peaks of the zero-energy local density of states clearly indicate the occurrence of the odd-frequency pairing. In the case of a superconducting loop with dominant singlet d(x2-y2)-wave symmetry, the spatial profiles of the zero-energy local density of states and the magnetization show spin-dependent features on different sample diagonals. Moreover, the evolution of the flux-induced spin current always exhibits an hc/e periodicity. |
Address |
|
Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000355647100003 |
Publication Date |
2015-06-05 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
|
Notes |
; This work was supported by the National Natural Science Foundation of China under Grants No. 61371020 and No. 61271163, by the Visiting Scholar Program of Shanghai Municipal Education Commission, and by the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:126433 |
Serial |
2089 |
Permanent link to this record |
|
|
|
Author |
Eckert, M.; Neyts, E.; Bogaerts, A. |
Title |
Modeling adatom surface processes during crystal growth: a new implementation of the Metropolis Monte Carlo algorithm |
Type |
A1 Journal article |
Year |
2009 |
Publication |
CrystEngComm |
Abbreviated Journal |
Crystengcomm |
Volume |
11 |
Issue |
8 |
Pages |
1597-1608 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In this paper, a new implementation of the Metropolis Monte Carlo (MMC) algorithm is presented. When combining the MMC model with a molecular dynamics (MD) code, crystal growth by plasma-enhanced chemical vapor deposition can be simulated. As the MD part simulates impacts of growth species onto the surface on a time scale of picoseconds, the MMC algorithm simulates the slower adatom surface processes. The implementation includes a criterion for the selection of atoms that are allowed to be displaced during the simulation, and a criterion of after how many MMC cycles the simulation is stopped. We performed combined MD-MMC simulations for hydrocarbon species that are important for the growth of ultrananocrystalline diamond (UNCD) films at partially hydrogenated diamond surfaces, since this implementation is part of a study of the growth mechanisms of (ultra)nanocrystalline diamond films. Exemplary for adatom arrangements during the growth of UNCD, the adatom surface behavior of C and C2H2 at diamond (111)1 × 1, C and C4H2 at diamond (111)1 × 1 and C3 at diamond (100)2 × 1 has been investigated. For all cases, the diamond crystal structure is pursued under the influence of MMC simulation. Additional longer time-scale MD simulations put forward very similar structures, verifying the MMC algorithm. Nevertheless, the MMC simulation time is typically one order of magnitude shorter than the MD simulation time. |
Address |
|
Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000268184300021 |
Publication Date |
2009-04-07 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1466-8033; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.474 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.474; 2009 IF: 4.183 |
Call Number |
UA @ lucian @ c:irua:77374 |
Serial |
2106 |
Permanent link to this record |
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|
|
Author |
Herrebout, D.; Bogaerts, A.; Yan, M.; Gijbels, R.; Goedheer, W.; Vanhulsel, A. |
Title |
Modeling of a capacitively coupled radio-frequency methane plasma: comparison between a one-dimensional and a two-dimensional fluid model |
Type |
A1 Journal article |
Year |
2002 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
92 |
Issue |
5 |
Pages |
2290-2295 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000177548500011 |
Publication Date |
2002-09-18 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2002 IF: 2.281 |
Call Number |
UA @ lucian @ c:irua:40188 |
Serial |
2113 |
Permanent link to this record |
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|
|
Author |
Gou, F.; Neyts, E.; Eckert, M.; Tinck, S.; Bogaerts, A. |
Title |
Molecular dynamics simulations of Cl+ etching on a Si(100) surface |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
107 |
Issue |
11 |
Pages |
113305,1-113305,6 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Molecular dynamics simulations using improved TersoffBrenner potential parameters were performed to investigate Cl+ etching of a {2×1} reconstructed Si(100) surface. Steady-state Si etching accompanying the Cl coverage of the surface is observed. Furthermore, a steady-state chlorinated reaction layer is formed. The thickness of this reaction layer is found to increase with increasing energy. The stoichiometry of SiClx species in the reaction layer is found to be SiCl:SiCl2:SiCl3 = 1.0:0.14:0.008 at 50 eV. These results are in excellent agreement with available experimental data. While elemental Si products are created by physical sputtering, most SiClx (0<x<4) etch products are produced by chemical-enhanced physical sputtering. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000278907100018 |
Publication Date |
2010-06-04 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2010 IF: 2.079 |
Call Number |
UA @ lucian @ c:irua:82663 |
Serial |
2175 |
Permanent link to this record |
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|
|
Author |
Vansant, P.; Smondyrev, M.A.; Peeters, F.M.; Devreese, J.T. |
Title |
One-dimensional bipolaron in the strong coupling limit |
Type |
A1 Journal article |
Year |
1994 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
50 |
Issue |
17 |
Pages |
12524-12532 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
A1994PR26100027 |
Publication Date |
2002-07-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.736 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
|
Notes |
|
Approved |
|
Call Number |
UA @ lucian @ c:irua:9277 |
Serial |
2461 |
Permanent link to this record |
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|
|
Author |
da Pieve, F.; Di Matteo, S.; Rangel, T.; Giantomassi, M.; Lamoen, D.; Rignanese, G.-M.; Gonze, X. |
Title |
Origin of magnetism and quasiparticles properties in Cr-doped TiO2 |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
Volume |
110 |
Issue |
13 |
Pages |
136402-136405 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Combining the local spin density approximation (LSDA)+U and an analysis of superexchange interactions beyond density functional theory, we describe the magnetic ground state of Cr-doped TiO2, an intensively studied and debated dilute magnetic oxide. In parallel, we correct our LSDA+U (+ superexchange) ground state through GW corrections (GW@LSDA+U) that reproduce the position of the impurity states and the band gaps in satisfying agreement with experiments. Because of the different topological coordinations of Cr-Cr bonds in the ground states of rutile and anatase, superexchange interactions induce either ferromagnetic or antiferromagnetic couplings of Cr ions. In Cr-doped anatase, this interaction leads to a new mechanism which stabilizes a (nonrobust) ferromagnetic ground state, in keeping with experimental evidence, without the need to invoke F-center exchange. The interplay between structural defects and vacancies in contributing to the superexchange is also unveiled. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000316683500014 |
Publication Date |
2013-03-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0031-9007;1079-7114; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.462 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
|
Notes |
Goa; Iwt |
Approved |
Most recent IF: 8.462; 2013 IF: 7.728 |
Call Number |
UA @ lucian @ c:irua:107281 |
Serial |
2524 |
Permanent link to this record |
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|
|
Author |
Scarrozza, M.; Pourtois, G.; Houssa, M.; Heyns, M.; Stesmans, A. |
Title |
Oxidation of the GaAs(001) surface : insights from first-principles calculations |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
19 |
Pages |
195307-195307,8 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
We performed a detailed investigation of the oxidation of the technologically relevant GaAs(001)-beta 2(2x4) surface via density functional calculations. The purpose is to gain insights on the atomistic mechanisms and local bondings that underlie the degradation of the surface properties once exposed to oxygen. The study comprises the adsorption of single O atoms, through the sampling of several adsorption sites, and the subsequent formation of the O adsorbate at increasing coverage by taking into account multiple-atom adsorption. Based on the evaluation of the energetics and the structural properties of the atomistic models generated, the results here reported delineate a consistent picture of the initial stage of the surface oxidation: (i) at low coverage, in the limit of single O insertions, oxygen is incorporated on the surface forming a twofold-bridging Ga-O-As bond; (ii) at increasing coverage, as multiple O atoms are involved, this is accompanied by the formation of a threefold-coordinated bond (with two Ga and one As atoms); (iii) the latter has important implications regarding the electronic properties of the adsorbate since this O bonding may result in the formation of As dangling bonds. Moreover, a clear trend of increased energy gain for the incorporation of neighboring O atoms compared to single O insertions indicates that the formation of oxide clusters is favored over a regime of uniform oxidation. Our findings provide a detailed description of the O bonding and stress the importance of modeling the adsorption of multiple O atoms for an accurate description of the surface oxidation. |
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Wos |
000303755700006 |
Publication Date |
2012-05-08 |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:99122 |
Serial |
2538 |
Permanent link to this record |
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Author |
Neyts, E.; Yan, M.; Bogaerts, A.; Gijbels, R. |
Title |
Particle-in-cell/Monte Carlo simulations of a low-pressure capacitively coupled radio-frequency discharge: effect of adding H2 to an Ar discharge |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
93 |
Issue |
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Pages |
5025-5033 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
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Wos |
000182296700010 |
Publication Date |
2003-04-17 |
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Series Issue |
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Edition |
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ISSN |
0021-8979; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.068; 2003 IF: 2.171 |
Call Number |
UA @ lucian @ c:irua:44012 |
Serial |
2562 |
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Author |
Schweigert, I.V.; Schweigert, V.A.; Peeters, F.M. |
Title |
Perturbation of collisional plasma flow around a charged dust particle: kinetic analysis |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Physics of plasmas |
Abbreviated Journal |
Phys Plasmas |
Volume |
12 |
Issue |
11 |
Pages |
113501,1-9 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Place of Publication |
Woodbury, N.Y. |
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Wos |
000233569600046 |
Publication Date |
2005-11-07 |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1070-664X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.115 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.115; 2005 IF: 2.182 |
Call Number |
UA @ lucian @ c:irua:56048 |
Serial |
2575 |
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Author |
Verreck, D.; Van de Put, M.; Sorée, B.; Verhulst, A.S.; Magnus, W.; Vandenberghe, W.G.; Collaert, N.; Thean, A.; Groeseneken, G. |
Title |
Quantum mechanical solver for confined heterostructure tunnel field-effect transistors |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
115 |
Issue |
5 |
Pages |
053706-53708 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Heterostructure tunnel field-effect transistors (HTFET) are promising candidates for low-power applications in future technology nodes, as they are predicted to offer high on-currents, combined with a sub-60 mV/dec subthreshold swing. However, the effects of important quantum mechanical phenomena like size confinement at the heterojunction are not well understood, due to the theoretical and computational difficulties in modeling realistic heterostructures. We therefore present a ballistic quantum transport formalism, combining a novel envelope function approach for semiconductor heterostructures with the multiband quantum transmitting boundary method, which we extend to 2D potentials. We demonstrate an implementation of a 2-band version of the formalism and apply it to study confinement in realistic heterostructure diodes and p-n-i-n HTFETs. For the diodes, both transmission probabilities and current densities are found to decrease with stronger confinement. For the p-n-i-n HTFETs, the improved gate control is found to counteract the deterioration due to confinement. (C) 2014 AIP Publishing LLC. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Wos |
000331645900040 |
Publication Date |
2014-02-05 |
Series Editor |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
0021-8979;1089-7550; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
15 |
Open Access |
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Notes |
; D. Verreck acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). This work was supported by imec's Industrial Affiliation Program. ; |
Approved |
Most recent IF: 2.068; 2014 IF: 2.183 |
Call Number |
UA @ lucian @ c:irua:115825 |
Serial |
2780 |
Permanent link to this record |