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Records |
Links |
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Author |
Sébilleau, D.; Natoli, C.; Gavaza, G.M.; Zhao, H.; da Pieve, F.; Hatada, K. |
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| |
Title |
MsSpec-1.0 : a multiple scattering package for electron spectroscopies in material science |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Computer physics communications |
Abbreviated Journal |
Comput Phys Commun |
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| |
Volume |
182 |
Issue |
12 |
Pages |
2567-2579 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract  |
We present a multiple scattering package to calculate the cross-section of various spectroscopies namely photoelectron diffraction (PED), Auger electron diffraction (AED), X-ray absorption (XAS), low-energy electron diffraction (LEED) and Auger photoelectron coincidence spectroscopy (APECS). This package is composed of three main codes, computing respectively the cluster, the potential and the cross-section. In the latter case, in order to cover a range of energies as wide as possible, three different algorithms are provided to perform the multiple scattering calculation: full matrix inversion, series expansion or correlation expansion of the multiple scattering matrix. Numerous other small Fortran codes or bash/csh shell scripts are also provided to perform specific tasks. The cross-section code is built by the user from a library of subroutines using a makefile. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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| |
Language |
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Wos |
000295769700014 |
Publication Date |
2011-07-28 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0010-4655; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.936 |
Times cited |
6 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 3.936; 2011 IF: 3.268 |
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| |
Call Number |
UA @ lucian @ c:irua:93288 |
Serial |
2208 |
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| Permanent link to this record |
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| |
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Author |
Malladi, S.K.; Xu, Q.; van Huis, M.A.; Tichelaar, F.D.; Batenburg, K.J.; Yucelen, E.; Dubiel, B.; Czyrska-Filemonowicz, A.; Zandbergen, H.W. |
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| |
Title |
Real-time atomic scale imaging of nanostructural evolution in aluminum alloys |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Nano Letters |
Abbreviated Journal |
Nano Lett |
|
| |
Volume |
14 |
Issue |
1 |
Pages |
384-389 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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| |
Abstract |
We present a new approach to study the three-dimensional compositional and structural evolution of metal alloys during heat treatments such as commonly used for improving overall material properties. It relies on in situ heating in a high-resolution scanning transmission electron microscope (STEM). The approach is demonstrated using a commercial Al alloy AA2024 at 100-240 degrees C, showing in unparalleled detail where and how precipitates nucleate, grow,or dissolve. The observed size evolution of individual precipitates enables a separation between nucleation and growth phenomena, necessary for the development of refined growth models. We conclude that the in situ heating STEM approach opens a route to a much faster determination of the interplay between local compositions, heat treatments, microstructure, and mechanical properties of new alloys. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington |
Editor |
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| |
Language |
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Wos |
000329586700061 |
Publication Date |
2013-12-13 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
1530-6984;1530-6992; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
12.712 |
Times cited |
12 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 12.712; 2014 IF: 13.592 |
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| |
Call Number |
UA @ lucian @ c:irua:114789 |
Serial |
2833 |
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| Permanent link to this record |
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Author |
Müller, K.; Schowalter, M.; Jansen, J.; Tsuda, K.; Titantah, J.; Lamoen, D.; Rosenauer, A. |
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| |
Title |
Refinement of the 200 structure factor for GaAs using parallel and convergent beam electron nanodiffraction data |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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| |
Volume |
109 |
Issue |
7 |
Pages |
802-814 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
We present a new method to measure structure factors from electron spot diffraction patterns recorded under almost parallel illumination in transmission electron microscopes. Bloch wave refinement routines have been developed to refine the crystal thickness, its orientation and structure factors by comparison of experimentally recorded and calculated intensities. Our method requires a modicum of computational effort, making it suitable for contemporary personal computers. Frozen lattice and Bloch wave simulations of GaAs diffraction patterns are used to derive optimised experimental conditions. Systematic errors are estimated from the application of the method to simulated diffraction patterns and rules for the recognition of physically reasonable initial refinement conditions are derived. The method is applied to the measurement of the 200 structure factor for GaAs. We found that the influence of inelastically scattered electrons is negligible. Additionally, we measured the 200 structure factor from zero loss filtered two-dimensional convergent beam electron diffraction patterns. The precision of both methods is found to be comparable and the results agree well with each other. A deviation of more than 20% from isolated atom scattering data is observed, whereas close agreement is found with structure factors obtained from density functional theory [A. Rosenauer, M. Schowalter, F. Glas, D. Lamoen, Phys. Rev. B 72 (2005), 085326-1], which account for the redistribution of electrons due to chemical bonding via modified atomic scattering amplitudes. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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| |
Language |
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Wos |
000266787900005 |
Publication Date |
2009-03-23 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
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Series Issue |
|
Edition |
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| |
ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.843 |
Times cited |
8 |
Open Access |
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| |
Notes |
Fwo; G.0425.05; Esteem; Ant 200611271505 |
Approved |
Most recent IF: 2.843; 2009 IF: 2.067 |
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| |
Call Number |
UA @ lucian @ c:irua:77361 |
Serial |
2856 |
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| Permanent link to this record |
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Author |
Van Eynde, E.; Tytgat, T.; Smits, M.; Verbruggen, S.W.; Hauchecorne, B.; Lenaerts, S. |
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Title |
Biotemplated diatom silica-titania materials for air purification |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Photochemical & photobiological sciences |
Abbreviated Journal |
Photoch Photobio Sci |
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| |
Volume |
12 |
Issue |
4 |
Pages |
690-695 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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| |
Abstract |
We present a novel manufacture route for silicatitania photocatalysts using the diatom microalga Pinnularia sp. Diatoms self-assemble into porous silica cell walls, called frustules, with periodic micro-, meso- and macroscale features. This unique hierarchical porous structure of the diatom frustule is used as a biotemplate to incorporate titania by a solgel methodology. Important material characteristics of the modified diatom frustules under study are morphology, crystallinity, surface area, pore size and optical properties. The produced biosilicatitania material is evaluated towards photocatalytic activity for NOx abatement under UV radiation. This research is the first step to obtain sustainable, well-immobilised silicatitania photocatalysts using diatoms. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000316572500016 |
Publication Date |
2012-10-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1474-905x; 1474-9092 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.344 |
Times cited |
18 |
Open Access |
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| |
Notes |
; ; |
Approved |
Most recent IF: 2.344; 2013 IF: 2.939 |
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| |
Call Number |
UA @ admin @ c:irua:106625 |
Serial |
5930 |
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| Permanent link to this record |
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Author |
Mijin, S.D.; Baum, A.; Bekaert, J.; Solajic, A.; Pesic, J.; Liu, Y.; He, G.; Milošević, M.V.; Petrovic, C.; Popovic, Z., V; Hackl, R.; Lazarevic, N. |
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Title |
Probing charge density wave phases and the Mott transition in 1T-TaS₂I by inelastic light scattering |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
103 |
Issue |
24 |
Pages |
245133 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We present a polarization-resolved, high-resolution Raman scattering study of the three consecutive charge density wave (CDW) regimes in 1T-TaS2 single crystals, supported by ab initio calculations. Our analysis of the spectra within the low-temperature commensurate (C-CDW) regime shows P (3) over bar symmetry of the system, thus excluding the previously proposed triclinic stacking of the “star-of-David” structure, and promoting trigonal or hexagonal stacking instead. The spectra of the high-temperature incommensurate (IC-CDW) phase directly project the phonon density of states due to the breaking of the translational invariance, supplemented by sizable electron-phonon coupling. Between 200 and 352 K, our Raman spectra show contributions from both the IC-CDW and the C-CDW phases, indicating their coexistence in the so-called nearly commensurate (NC-CDW) phase. The temperature dependence of the symmetry-resolved Raman conductivity indicates the stepwise reduction of the density of states in the CDW phases, followed by a Mott transition within the C-CDW phase. We determine the size of the Mott gap to be Omega(gap) approximate to 170-190 meV, and track its temperature dependence. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000664450500002 |
Publication Date |
2021-06-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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| |
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
4 |
Open Access |
OpenAccess |
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| |
Notes |
|
Approved |
Most recent IF: 3.836 |
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| |
Call Number |
UA @ admin @ c:irua:179664 |
Serial |
7015 |
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| Permanent link to this record |
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Author |
De wael, A.; De Backer, A.; Van Aert, S. |
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Title |
Hidden Markov model for atom-counting from sequential ADF STEM images: Methodology, possibilities and limitations |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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| |
Volume |
219 |
Issue |
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Pages |
113131 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We present a quantitative method which allows us to reliably measure dynamic changes in the atomic structure of monatomic crystalline nanomaterials from a time series of atomic resolution annular dark field scanning transmission electron microscopy images. The approach is based on the so-called hidden Markov model and estimates the number of atoms in each atomic column of the nanomaterial in each frame of the time series. We discuss the origin of the improved performance for time series atom-counting as compared to the current state-of-the-art atom-counting procedures, and show that the so-called transition probabilities that describe the probability for an atomic column to lose or gain one or more atoms from frame to frame are particularly important. Using these transition probabilities, we show that the method can also be used to estimate the probability and cross section related to structural changes. Furthermore, we explore the possibilities for applying the method to time series recorded under variable environmental conditions. The method is shown to be promising for a reliable quantitative analysis of dynamic processes such as surface diffusion, adatom dynamics, beam effects, or in situ experiments. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000594770500003 |
Publication Date |
2020-10-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0304-3991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.2 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
This project has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (Grant Agreement No. 770887 and No. 823717 ESTEEM3). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through grants to A.D.w. and A.D.B. and projects G.0502.18N and EOS 30489208. |
Approved |
Most recent IF: 2.2; 2020 IF: 2.843 |
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Call Number |
EMAT @ emat @c:irua:172449 |
Serial |
6417 |
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Author |
La Porta, A.; Sanchez-Iglesias, A.; Altantzis, T.; Bals, S.; Grzelczak, M.; Liz-Marzan, L.M. |
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Title |
Multifunctional self-assembled composite colloids and their application to SERS detection |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
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Volume |
7 |
Issue |
7 |
Pages |
10377-10381 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
We present a simple method for the co-encapsulation of gold nanostars and iron-oxide nanoparticles into hybrid colloidal composites that are highly responsive to both light and external magnetic fields. Self-assembly was driven by hydrophobic interactions between polystyrene capped gold nanostars and iron oxide nanocrystals stabilized with oleic acid, upon addition of water. A block copolymer was then used to encapsulate the resulting spherical colloidal particle clusters, which thereby became hydrophilic. Electron microscopy analysis unequivocally shows that each composite particle comprises a single Au nanostar surrounded by a few hundreds of iron oxide nanocrystals. We demonstrate that this hybrid colloidal system can be used as an efficient substrate for surface enhanced Raman scattering, using common dyes as model molecular probes. The co-encapsulation of iron oxide nanoparticles renders the system magnetically responsive, so that application of an external magnetic field leads to particle accumulation and limits of detection are in the nM range. |
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Address |
A1 Article; Electron microscopy for materials research (EMAT); |
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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 |
English |
Wos |
000355987300010 |
Publication Date |
2015-04-22 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
2040-3364;2040-3372; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
7.367 |
Times cited |
51 |
Open Access |
OpenAccess |
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Notes |
267867 Plasmaquo; 335078 Colouratom; 262348 Esmi; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); |
Approved |
Most recent IF: 7.367; 2015 IF: 7.394 |
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Call Number |
c:irua:127003 |
Serial |
3940 |
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| Permanent link to this record |
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Author |
Casavola, M.; van Huis, M.A.; Bals, S.; Lambert, K.; Hens, Z.; Vanmaekelbergh, D. |
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Title |
Anisotropic cation exchange in PbSe/CdSe core/shell nanocrystals of different geometry |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
24 |
Issue |
2 |
Pages |
294-302 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We present a study of Cd2+-for-Pb2+ exchange in PbSe nanocrystals (NCs) with cube, star, and rod shapes. Prolonged temperature-activated cation exchange results in PbSe/CdSe heterostructured nanocrystals (HNCs) that preserve their specific overall shape, whereas the PbSe core is strongly faceted with dominance of {111} facets. Hence, cation exchange proceeds while the Se anion lattice is preserved, and well-defined {111}/{111} PbSe/CdSe interfaces develop. Interestingly, by quenching the reaction at different stages of the cation exchange new structures have been isolated, such as coreshell nanorods, CdSe rods that contain one or two separated PbSe dots and fully zinc blende CdSe nanorods. The crystallographically anisotropic cation exchange has been characterized by a combined HRTEM/HAADF-STEM study of heterointerface evolution over reaction time and temperature. Strikingly, Pb and Cd are only intermixed at the PbSe/CdSe interface. We propose a plausible model for the cation exchange based on a layer-by-layer replacement of Pb2+ by Cd2+ enabled by a vacancy-assisted cation migration mechanism. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000299367500008 |
Publication Date |
2011-11-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
9.466 |
Times cited |
136 |
Open Access |
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Notes |
Esteem 026019 |
Approved |
Most recent IF: 9.466; 2012 IF: 8.238 |
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Call Number |
UA @ lucian @ c:irua:94211 |
Serial |
124 |
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Author |
Peters, J.L.; van den Bos, K.H.W.; Van Aert, S.; Goris, B.; Bals, S.; Vanmaekelbergh, D. |
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Title |
Ligand-Induced Shape Transformation of PbSe Nanocrystals |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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| |
Volume |
29 |
Issue |
29 |
Pages |
4122-4128 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We present a study of the relation between the surface chemistry and nanocrystal shape of PbSe nanocrystals with a variable Pb-to-Se stoichiometry and density of oleate ligands. The oleate ligand density and binding configuration are monitored by nuclear magnetic resonance and Fourier transform infrared absorbance spectroscopy, allowing us to quantify the number of surface-attached ligands per NC and the nature of the surface−Pb−oleate configuration. The three-dimensional shape of the PbSe nanocrystals is obtained from high-angle annular dark field scanning transmission electron microscopy combined with an atom counting method. We show that the enhanced oleate capping results in a stabilization and extension of the {111} facets, and a crystal shape transformation from a truncated nanocube to a truncated octahedron. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000401221700034 |
Publication Date |
2017-05-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0897-4756 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
9.466 |
Times cited |
45 |
Open Access |
OpenAccess |
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Notes |
D.V. acknowledges the European Research Council, ERC advanced grant, Project 692691-First Step, for financial support. We also acknowledge the Dutch FOM programme “Designing Dirac carriers in honeycomb semiconductor superlattices” (FOM Program 152) for financial support. The authors gratefully acknowledge funding from the Research Foundation Flanders (G.036915, G.037413, and funding of a Ph.D. research grant to K.H.W.v.d.B. and a postdoctoral grant to B.G.). S.B. acknowledges the European Research Council, ERC Grant 335078-Colouratom. (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ECAS_Sara |
Approved |
Most recent IF: 9.466 |
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| |
Call Number |
EMAT @ emat @ c:irua:143750 c:irua:142983UA @ admin @ c:irua:143750 |
Serial |
4571 |
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Author |
da Costa, D.R.; Chaves, A.; Zarenia, M.; Pereira, J.M.; Farias, G.A.; Peeters, F.M. |
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Title |
Geometry and edge effects on the energy levels of graphene quantum rings : a comparison between tight-binding and simplified Dirac models |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
89 |
Issue |
7 |
Pages |
075418-12 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
We present a systematic study of the energy spectra of graphene quantum rings having different geometries and edge types in the presence of a perpendicular magnetic field. Results are obtained within the tight-binding (TB) and Dirac models and we discuss which features of the former can be recovered by using the approximations imposed by the latter. Energy levels of graphene quantum rings obtained by diagonalizing the TB Hamiltonian are demonstrated to be strongly dependent on the rings geometry and the microscopical structure of the edges. This makes it difficult to recover those spectra by the existing theories that are based on the continuum (Dirac) model. Nevertheless, our results show that both approaches (i.e., TB and Dirac model) may provide similar results, but only for very specific combinations of ring geometry and edge types. The results obtained by a simplified model describing an infinitely thin circular Dirac ring show good agreement with those obtained for hexagonal and rhombus armchair graphene rings within the TB model. Moreover, we show that the energy levels of a circular quantum ring with an infinite mass boundary condition obtained within the Dirac model agree with those for a ring defined by a ring-shaped staggered potential obtained within the TB model. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
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Wos |
000332390000009 |
Publication Date |
2014-02-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
56 |
Open Access |
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| |
Notes |
; This work was financially supported by CNPq, under Contract NanoBioEstruturas 555183/2005-0, PRONEX/FUNCAP, CAPES Foundation under the process number BEX 7178/13-1, the Bilateral programme between CNPq and the Flemish Science Foundation (FWO-Vl), and the Brazilian Program Science Without Borders (CsF). ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
|
| |
Call Number |
UA @ lucian @ c:irua:115823 |
Serial |
1328 |
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| Permanent link to this record |
| |
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| |
|
Author |
Zhao, C.X.; Xu, W.; Dong, H.M.; Yu, Y.; Qin, H.; Peeters, F.M. |
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| |
Title |
Enhancement of plasmon-photon coupling in grating coupled graphene inside a Fabry-Perot cavity |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
|
| |
Volume |
280 |
Issue |
280 |
Pages |
45-49 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We present a theoretical investigation of the plasmon-polariton modes in grating coupled graphene inside a Fabry-Perot cavity. The cavity or photon modes of the device are determined by the Finite Difference Time Domain (FDTD) simulations and the corresponding plasmon-polariton modes are obtained by applying a many-body self-consistent field theory. We find that in such a device structure, the electric field strength of the incident electromagnetic (EM) field can be significantly enhanced near the edges of the grating strips. Thus, the strong coupling between the EM field and the plasmons in graphene can be achieved and the features of the plasmon-polariton oscillations in the structure can be observed. It is found that the frequencies of the plasmon-polariton modes are in the terahertz (THz) bandwidth and depend sensitively on electron density which can be tuned by applying a gate voltage. Moreover, the coupling between the cavity photons and the plasmons in graphene can be further enhanced by increasing the filling factor of the device. This work can help us to gain an in-depth understanding of the THz plasmonic properties of graphene-based structures. |
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| |
Address |
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| |
Corporate Author |
|
Thesis |
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| |
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
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|
| |
Language |
|
Wos |
000439059600008 |
Publication Date |
2018-06-18 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0038-1098 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.554 |
Times cited |
1 |
Open Access |
|
|
| |
Notes |
; This work is supported by the National Natural Science Foundation of China (Grand No. 11604192 and Grant No. 11574319); the Center of Science and Technology of Hefei Academy of Science; the Ministry of Science and Technology of China (Grant No. 2011YQ130018); Department of Science and Technology of Yunnan Province; Chinese Academy of Sciences. ; |
Approved |
Most recent IF: 1.554 |
|
| |
Call Number |
UA @ lucian @ c:irua:152369UA @ admin @ c:irua:152369 |
Serial |
5024 |
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| Permanent link to this record |
| |
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| |
|
Author |
Dong, H.M.; Xu, W.; Peeters, F.M. |
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| |
Title |
High-field transport properties of graphene |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
|
| |
Volume |
110 |
Issue |
6 |
Pages |
063704,1-063704,6 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We present a theoretical investigation on the transport properties of graphene in the presence of high dc driving fields. Considering electron interactions with impurities and acoustic and optical phonons in graphene, we employ the momentum- and energy-balance equations derived from the Boltzmann equation to self-consistently evaluate the drift velocity and temperature of electrons in graphene in the linear and nonlinear response regimes. We find that the current-voltage relation exhibits distinctly nonlinear behavior, especially in the high electric field regime. Under the action of high-fields the large source-drain (sd) current density can be achieved and the current saturation in graphene is incomplete with increasing the sd voltage Vsd up to 3 V. Moreover, for high fields, Vsd>0.1 V, the heating of electrons in graphene occurs. It is shown that the sd current and electron temperature are sensitive to electron density and lattice temperature in the graphene device. This study is relevant to the application of graphene as high-field nano-electronic devices such as graphene field-effect transistors. |
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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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| |
Language |
|
Wos |
000295619300059 |
Publication Date |
2011-09-19 |
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| |
Series Editor |
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Series Title |
|
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 |
17 |
Open Access |
|
|
| |
Notes |
; This work was supported by the National Natural Science Foundation of China (Grant No. 10974206) and the Department of Science and Technology of Yunnan Province. ; |
Approved |
Most recent IF: 2.068; 2011 IF: 2.168 |
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| |
Call Number |
UA @ lucian @ c:irua:93614 |
Serial |
1433 |
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| Permanent link to this record |
| |
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| |
|
Author |
Ball, J.M.; Schryvers, D. |
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| |
Title |
The analysis of macrotwins in NiAl martensite |
Type |
A1 Journal article |
| |
Year |
2003 |
Publication |
Journal de physique: 4
T2 – 10th International Conference on Martensitic Transformations, JUN 10-14, 2002, ESPOO, FINLAND |
Abbreviated Journal |
J Phys Iv |
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| |
Volume |
112 |
Issue |
Part 1 |
Pages |
159-162 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
We present a theoretical study of macrotwins arising in cubic to tetragonal martensitic transformations. The results help to explain some features of such macrotwins observed in Ni65Al35. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Les Ulis |
Editor |
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| |
Language |
|
Wos |
000186503200024 |
Publication Date |
2008-08-19 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
1155-4339; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
11 |
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:103275 |
Serial |
3569 |
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| Permanent link to this record |
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| |
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Author |
Zhao, C.X.; Xu, W.; Peeters, F.M. |
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| |
Title |
Cerenkov emission of terahertz acoustic-phonons from graphene |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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| |
Volume |
102 |
Issue |
22 |
Pages |
222101-222104 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
We present a theoretical study of the electrical generation of acoustic-phonon emission from graphene at room temperature. The drift velocity (v(x)) and temperature of electrons driven by dc electric field (F-x) are determined by solving self-consistently the momentum-and energy-balance equations derived from the Boltzmann equation. We find that in the presence of impurity, acoustic-and optic-phonon scattering, v(x) can be much larger than the longitudinal (v(l)) and transverse (v(t)) sound velocities in graphene even within the linear response regime. As a result, although the acoustic Cerenkov effect cannot be obviously seen in the analytical formulas, the enhanced acoustic-phonon emission can be observed with increasing F-x when v(x) > v(l) and v > v(t). The frequency of acoustic-phonon emission from graphene can be above 10 THz, which is much higher than that generated from conventional semiconductor systems. This study is pertinent to the application of graphene as hypersonic devices such as terahertz sound sources. (C) 2013 AIP Publishing LLC. |
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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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| |
Language |
|
Wos |
000320621600034 |
Publication Date |
2013-06-03 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.411 |
Times cited |
25 |
Open Access |
|
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| |
Notes |
; This work was supported by the National Natural Science Foundation of China (Grant No. 10974206), Ministry of Science and Technology of China (Grant No. 2011YQ130018), Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. ; |
Approved |
Most recent IF: 3.411; 2013 IF: 3.515 |
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| |
Call Number |
UA @ lucian @ c:irua:109607 |
Serial |
305 |
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| Permanent link to this record |
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| |
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Author |
Shi, J.M.; Koenraad, P.M.; van de Stadt, A.F.W.; Peeters, F.M.; Devreese, J.T.; Wolter, J.H. |
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| |
Title |
Electronic structure of a Si \delta-doped layer in a GaAs/AlxGa1-xAs/GaAs quantum barrier |
Type |
A1 Journal article |
| |
Year |
1996 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
54 |
Issue |
11 |
Pages |
7996-8004 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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| |
Abstract |
We present a theoretical study of the electronic structure of a heavily Si delta-doped layer in a GaAs/AlxGa1-xAs/GaAs quantum barrier. In this class of structures the effect of DX centers on the electronic properties can be tuned by changing the AlxGa1-xAs barrier width and/or the Al concentration, which leads to a lowering of the DX level with respect to the Fermi energy without disturbing the wave functions much. A self-consistent approach is developed in which the effective confinement potential and the Fermi energy of the system, the energies, the wave functions, and the electron densities of the discrete subbands have been obtained as a function of both the material parameters of the samples and the experimental conditions. The effect of DX centers on such structures at nonzero temperature and under an external pressure is investigated for three different models: (1) the DX(nc)(0) model with no correlation effects, (2) the d(+)/DX(0) model, and (3) the d(+)/DX(-) model with inclusion of correlation effects. In the actual calculation, influences of the background accepters, the discontinuity of the effective mass of the electrons at the interfaces of the different materials, band nonparabolicity, and the exchange-correlation energy of the electrons have been taken into account. We have found that (1) introducing a quantum barrier into delta-doped GaAs makes it possible to control the energy gaps between different electronic; subbands; (2) the electron wave functions are mon spread out when the repellent effect of the barriers is increased as compared to those in delta-doped GaAs; (3) increasing the quantum-barrier height and/or the application of hydrostatic pressure are helpful to experimentally observe the effect of the DX centers through a decrease of the total free-electron density; and (4) the correlation effects of the charged impurities are important for the systems under study. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
A1996VL14500066 |
Publication Date |
2002-07-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.736 |
Times cited |
11 |
Open Access |
|
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| |
Notes |
|
Approved |
no |
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| |
Call Number |
UA @ lucian @ c:irua:104388 |
Serial |
1012 |
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| Permanent link to this record |
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| |
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Author |
Dhong, H.M.; Zhang, J.; Peeters, F.M.; Xu, W. |
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| |
Title |
Optical conductance and transmission in bilayer graphene |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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| |
Volume |
106 |
Issue |
4 |
Pages |
043103,1-043103,6 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
We present a theoretical study of the optoelectronic properties of bilayer graphene. The optical conductance and transmission coefficient are calculated using the energy-balance equation derived from a Boltzmann equation for an air/graphene/dielectric-wafer system. For short wavelengths (<0.2 µm), we obtain the universal optical conductance =e2/(2). Interestingly, there exists an optical absorption window in the wavelength range 10100 µm, which is induced by different transition energies required for inter- and intra-band optical absorptions in the presence of the MossBurstein effect. As a result, the position and width of this absorption window depend sensitively on temperature, carrier density, and sample mobility of the system. These results are relevant for applications of recently developed graphene devices in advanced optoelectronics such as the infrared photodetectors. |
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| |
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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| |
Language |
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Wos |
000270083800004 |
Publication Date |
2009-08-20 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.068 |
Times cited |
11 |
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: 2.068; 2009 IF: 2.072 |
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| |
Call Number |
UA @ lucian @ c:irua:79315 |
Serial |
2472 |
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| Permanent link to this record |
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| |
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Author |
Dong, H.M.; Xu, W.; Zhang, J.; Peeters, F.M.; Vasilopoulos, P. |
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Title |
Photo-excited carriers and optical conductance and transmission in graphene in the presence of phonon scattering |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Physica. E: Low-dimensional systems and nanostructures |
Abbreviated Journal |
Physica E |
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| |
Volume |
42 |
Issue |
4 |
Pages |
748-750 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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| |
Abstract |
We present a theoretical study of the optoelectronic properties of monolayer graphene. Including the effect of the electron-photon-phonon scattering, we employ the mass- and energy-balance equations derived from the Boltzmann equation to evaluate self-consistently the carrier densities, optical conductance and transmission coefficient in graphene in the presence of linearly polarized radiation field. We find that the photo-excited carrier density can be increased under infrared radiation and depend strongly on radiation intensity and frequency. For short wavelengths (lambda <3 mu m), the universal optical conductance sigma(0) = e(2)/4h is obtained and the light transmittance is about 0.97-0.98. Interestingly, there is an optical absorption window in the range 4-100 mu m which is induced by different transition energies required for inter- and intra-band optical absorption. The position and width of this absorption window depend sensitively on temperature and carrier density of the system. These results are relevant for applications of recently developed graphene devices in advanced optoelectronics such as the infrared photodetectors. Crown Copyright (C) 2009 Published by Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
North-Holland |
Place of Publication |
Amsterdam |
Editor |
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| |
Language |
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Wos |
000276541200022 |
Publication Date |
2009-11-25 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
1386-9477; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.221 |
Times cited |
7 |
Open Access |
|
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| |
Notes |
; ; |
Approved |
Most recent IF: 2.221; 2010 IF: 1.304 |
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| |
Call Number |
UA @ lucian @ c:irua:99216 |
Serial |
2607 |
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| Permanent link to this record |
| |
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| |
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Author |
Zhao, C.X.; Xu, W.; Dong, H.M.; Peeters, F.M. |
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| |
Title |
Plasmon and coupled plasmon-phonon modes in graphene in the presence of a driving electric field |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
89 |
Issue |
19 |
Pages |
195447 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
We present a theoretical study of the plasmon and coupled plasmon-phonon modes induced by intraband electron-electron interaction in graphene in the presence of driving dc electric field. We find that the electric field dependence of these collective excitation modes in graphene differs significantly from that in a conventional two-dimensional electron gas with a parabolic energy spectrum. This is due mainly to the fact that graphene has a linear energy spectrum and the Fermi velocity of electrons in graphene is much larger than the drift velocity of electrons. The obtained results demonstrate that the plasmon and coupled plasmon-phonon modes in graphene can be tuned by applying not only the gate voltage but also the source-to-drain field. The manipulation of plasmon and coupled plasmon-phonon modes by source-to-drain voltage can let graphene be more conveniently applied as an advanced plasmonic material. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
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Wos |
000336841000007 |
Publication Date |
2014-05-29 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
9 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Ministry of Science and Technology of China (Grant No. 2011YQ130018), the Department of Science and Technology of Yunnan Province, the Chinese Academy of Sciences, and by the National Natural Science Foundation of China (Grant No. 11247002). ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
|
| |
Call Number |
UA @ lucian @ c:irua:117764 |
Serial |
2642 |
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| Permanent link to this record |
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Author |
Xiao, Y.M.; Xu, W.; Peeters, F.M. |
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Title |
Infrared to terahertz absorption window in mono- and multi-layer graphene systems |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Optics communications |
Abbreviated Journal |
Opt Commun |
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| |
Volume |
328 |
Issue |
|
Pages |
135-142 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
We present a theoretical study on optical properties such as optical conductance and light transmission coefficient for mono- and multi-layer graphene systems with AB- and ABC-stacking. Considering an air/graphene/dielectric-water structure, the optical coefficients for those graphene systems are examined and compared. The universal optical conductance sigma(N)(0)=N pi e(2)/(2h) for N layer graphene systems in the visible region is verified. For N 3 layer graphene, the mini-gap induced absorption edges can be observed in odd layers AB-stacked multilayer graphene, where the number and position of the absorption edges are decided by the layers number N. Meanwhile, we can observe the optical absorption windows for those graphene systems in the infrared to terahertz bandwidth (0.2-150 THz). The absorption window is induced by different transition energies required for inter- and intra-band optical absorption channels. We find that the depth and width of the absorption window can be tuned not only via varying temperature and electron density but also by changing the number of graphene layers and the stacking order. These theoretical findings demonstrate that mono- and multi-layer graphene systems can be applied as frequency tunable optoelectronic devices working in infrared to terahertz bandwidth. (C) 2014 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000336970000022 |
Publication Date |
2014-05-14 |
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| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0030-4018; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.588 |
Times cited |
7 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Ministry of Science and Technology of China (Grant no, 2011YQ130018), Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. ; |
Approved |
Most recent IF: 1.588; 2014 IF: 1.449 |
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| |
Call Number |
UA @ lucian @ c:irua:118364 |
Serial |
1666 |
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| Permanent link to this record |
| |
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| |
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Author |
Zhao, C.X.; Xu, W.; Li, L.L.; Zhang, C.; Peeters, F.M. |
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| |
Title |
Terahertz plasmon-polariton modes in graphene driven by electric field inside a Fabry-Perot cavity |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
|
| |
Volume |
117 |
Issue |
117 |
Pages |
223104 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
We present a theoretical study on plasmon-polariton modes in graphene placed inside an optical cavity and driven by a source-to-drain electric field. The electron velocity and electron temperature are determined by solving self-consistently the momentum-and energy-balance equations in which electron interactions with impurities, acoustic-, and optic-phonons are included. Based on many-body self-consistent field theory, we develop a tractable approach to study plasmon-polariton in an electron gas system. We find that when graphene is placed inside a Fabry-Perot cavity, two branches of the plasmon-polariton modes can be observed and these modes are very much optic-or plasmon-like. The frequencies of these modes depend markedly on driving electric field especially at higher resonant frequency regime. Moreover, the plasmon-polariton frequency in graphene is in terahertz (THz) bandwidth and can be tuned by changing the cavity length, gate voltage, and driving electric field. This work is pertinent to the application of graphene-based structures as tunable THz plasmonic devices. (C) 2015 AIP Publishing LLC. |
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| |
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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| |
Language |
|
Wos |
000356176100004 |
Publication Date |
2015-06-10 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0021-8979;1089-7550; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.068 |
Times cited |
13 |
Open Access |
|
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| |
Notes |
; This work was supported by the Ministry of Science and Technology of China (Grant No. 2011YQ130018), Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. F.M.P. was a specially appointed Professor for foreign expert at the Chinese Academy of Sciences. ; |
Approved |
Most recent IF: 2.068; 2015 IF: 2.183 |
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| |
Call Number |
c:irua:127076 |
Serial |
3507 |
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| Permanent link to this record |
| |
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| |
|
Author |
Xiao, Y.M.; Xu, W.; Zhang, Y.Y.; Peeters, F.M. |
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| |
Title |
Optoelectronic properties of ABC-stacked trilayer graphene |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
|
| |
Volume |
250 |
Issue |
1 |
Pages |
86-94 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We present a theoretical study on the optoelectronic properties of ABC-stacked trilayer graphene (TLG). The optical conductance and light transmittance are evaluated through using the energy-balance equation derived from the Boltzmann equation for an air/graphene/dielectric-wafer system in the presence of linearly polarized radiation field. The results obtained from two band structure models are examined and compared. For short wavelength radiation, the universal optical conductance sigma(0) = 3e(2)/(4h) can be obtained. Importantly, there exists an optical absorption window in the radiation wavelength range 10-200 mu m, which is induced by different transition energies required for inter- and intra-band optical absorption channels. As a result, we find that the position and width of this window depend sensitively on temperature and carrier density of the system, especially the lower frequency edge. There is a small characteristic absorption peak at about 82 mu m where the largest interband transition states exist in the ABC-stacked TLG model, in contrast to the relatively smooth curves in a simplified model. These theoretical results indicate that TLG has some interesting and important physical properties which can be utilized to realize infrared or THz optoelectronic devices. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Berlin |
Editor |
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| |
Language |
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Wos |
000313347500011 |
Publication Date |
2012-08-08 |
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| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0370-1972; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.674 |
Times cited |
6 |
Open Access |
|
|
| |
Notes |
; This work was supported by the National Natural Science Foundation of China (grant no. 10974206), Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. One of us (F.M.P.) was a Specially Appointed Foreign Professor of the Chinese Academy of Sciences. ; |
Approved |
Most recent IF: 1.674; 2013 IF: 1.605 |
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| |
Call Number |
UA @ lucian @ c:irua:110109 |
Serial |
2495 |
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| Permanent link to this record |
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| |
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Author |
Verberck, B.; Partoens, B.; Peeters, F.M.; Trauzettel, B. |
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| |
Title |
Strain-induced band gaps in bilayer graphene |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
85 |
Issue |
12 |
Pages |
125403-125403,10 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We present a tight-binding investigation of strained bilayer graphene within linear elasticity theory, focusing on the different environments experienced by the A and B carbon atoms of the different sublattices. We find that the inequivalence of the A and B atoms is enhanced by the application of perpendicular strain epsilon(zz), which provides a physical mechanism for opening a band gap, most effectively obtained when pulling the two graphene layers apart. In addition, perpendicular strain introduces electron-hole asymmetry and can result in linear electronic dispersion near the K point. Our findings suggest experimental means for strain-engineered band gaps in bilayer graphene. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
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Wos |
000301113200005 |
Publication Date |
2012-03-06 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
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 |
53 |
Open Access |
|
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| |
Notes |
; The authors would like to acknowledge O. Leenaerts, E. Mariani, K. H. Michel, and J. Schelter for useful discussions. B. V. was financially supported by the Flemish Science Foundation (FWO-Vl). This work was financially supported by the ESF program EuroGraphene under projects CONGRAN and ENTS as well as by the DFG. ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
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| |
Call Number |
UA @ lucian @ c:irua:97181 |
Serial |
3168 |
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| Permanent link to this record |
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Author |
Kozák, T.; Vlček, J. |
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| |
Title |
A parametric model for reactive high-power impulse magnetron sputtering of films |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Journal Of Physics D-Applied Physics |
Abbreviated Journal |
J Phys D Appl Phys |
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| |
Volume |
49 |
Issue |
49 |
Pages |
055202 |
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| |
Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
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Abstract |
We present a time-dependent parametric model for reactive HiPIMS deposition of films. Specific features of HiPIMS discharges and a possible increase in the density of the reactive gas in front of the reactive gas inlets placed between the target and the substrate are considered in the model. The model makes it possible to calculate the compound fractions in two target layers and in one substrate layer, and the deposition rate of films at fixed partial pressures of the reactive and inert gas. A simplified relation for the deposition rate of films prepared using a reactive HiPIMS is presented. We used the model to simulate controlled reactive HiPIMS depositions of stoichiometric ZrO2 films, which were recently carried out in our laboratories with two different configurations of the O2 inlets in front of the sputtered target. The repetition frequency was 500 Hz at the deposition-averaged target power densities of 5 Wcm−2 and 50 Wcm−2 with a pulse-averaged target power density up to 2 kWcm−2. The pulse durations were 50 μs and 200 μs. Our model calculations show that the to-substrate O2 inlet provides systematically lower compound fractions in the target surface layer and higher compound fractions in the substrate surface layer, compared with the to-target O2 inlet. The low compound fractions in the target surface layer (being approximately 10% at the depositionaveraged target power density of 50 Wcm−2 and the pulse duration of 200 μs) result in high deposition rates of the films produced, which are in agreement with experimental values. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000368944100016 |
Publication Date |
2015-12-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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| |
ISSN |
0022-3727 |
ISBN |
|
Additional Links |
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| |
Impact Factor |
2.588 |
Times cited |
25 |
Open Access |
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| |
Notes |
This work was supported by the Czech Science Foundation under Project No. GA14–03875S |
Approved |
Most recent IF: 2.588 |
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| |
Call Number |
PLASMANT @ plasmant @ |
Serial |
3994 |
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| Permanent link to this record |
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Author |
Michel, K.H.; Verberck, B. |
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| |
Title |
Theory of the evolution of phonon spectra and elastic constants from graphene to graphite |
Type |
A1 Journal article |
| |
Year |
2008 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
78 |
Issue |
8 |
Pages |
085424,1-085424,17 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We present a unified theory of the phonon dispersions and elastic properties of graphene, graphite, and graphene multilayer systems. Starting from a fifth-nearest-neighbor force-constant model derived from full in-plane phonon dispersions of graphite [Mohr et al., Phys. Rev. B 76, 035439 (2007)], we use Born's long-wave method to calculate the tension and bending coefficients of graphene. Extending the model by interplanar interactions, we study the phonon dispersions and the elastic constants of graphite, and the phonon spectra of graphene multilayers. We find that the inner displacement terms due to sublattice shifts between inequivalent C atoms are quantitatively important in determining the elastomechanical properties of graphene and of graphite. The overall agreement between theory and experiment is very satisfactory. We investigate the evolution from graphene to graphite by studying the increase in the rigid plane optical mode as a function of the number of layers N. At N=10 the graphite value B2g1127 cm−1 is attained within a few percent. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000259406900106 |
Publication Date |
2008-08-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
72 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 3.836; 2008 IF: 3.322 |
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| |
Call Number |
UA @ lucian @ c:irua:76527 |
Serial |
3622 |
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| Permanent link to this record |
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Author |
Kozák, T.; Bogaerts, A. |
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Title |
Splitting of CO2 by vibrational excitation in non-equilibrium plasmas : a reaction kinetics model |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
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| |
Volume |
23 |
Issue |
4 |
Pages |
045004 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We present a zero-dimensional kinetic model of CO2 splitting in non-equilibrium plasmas. The model includes a description of the CO2 vibrational kinetics (25 vibrational levels up to the dissociation limit of the molecule), taking into account state-specific VT and VV relaxation reactions and the effect of vibrational excitation on other chemical reactions. The model is applied to study the reaction kinetics of CO2 splitting in an atmospheric-pressure dielectric barrier discharge (DBD) and in a moderate-pressure microwave discharge. The model results are in qualitative agreement with published experimental works. We show that the CO2 conversion and its energy efficiency are very different in these two types of discharges, which reflects the important dissociation mechanisms involved. In the microwave discharge, excitation of the vibrational levels promotes efficient dissociation when the specific energy input is higher than a critical value (2.0 eV/molecule under the conditions examined). The calculated energy efficiency of the process has a maximum of 23%. In the DBD, vibrationally excited levels do not contribute significantly to the dissociation of CO2 and the calculated energy efficiency of the process is much lower (5%). |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Institute of Physics |
Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000345761500014 |
Publication Date |
2014-06-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0963-0252;1361-6595; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.302 |
Times cited |
170 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 3.302; 2014 IF: 3.591 |
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Call Number |
UA @ lucian @ c:irua:117398 |
Serial |
3108 |
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Author |
Morais, E.; Delikonstantis, E.; Scapinello, M.; Smith, G.; Stefanidis, G.D.; Bogaerts, A. |
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Title |
Methane coupling in nanosecond pulsed plasmas: Correlation between temperature and pressure and effects on product selectivity |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
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Volume |
462 |
Issue |
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Pages |
142227 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We present a zero-dimensional kinetic model to characterise specifically the gas-phase dynamics of methane
conversion in a nanosecond pulsed discharge (NPD) plasma reactor. The model includes a systematic approach to
capture the nanoscale power discharges and the rapid ensuing changes in electric field, gas and electron temperature,
as well as species densities. The effects of gas temperature and reactor pressure on gas conversion and
product selectivity are extensively investigated and validated against experimental work. We discuss the
important reaction pathways and provide an analysis of the dynamics of the heating and cooling mechanisms. H
radicals are found to be the most populous plasma species and they participate in hydrogenation and dehydrogenation
reactions, which are the dominant recombination reactions leading to C2H4 and C2H2 as main
products (depending on the pressure). |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000983631500001 |
Publication Date |
2023-03-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1385-8947 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
15.1 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
We gratefully acknowledge financial support by the Flemish Government through the Moonshot cSBO project “Power-to-Olefins” (P2O; HBC.2020.2620). |
Approved |
Most recent IF: 15.1; 2023 IF: 6.216 |
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Call Number |
PLASMANT @ plasmant @c:irua:195881 |
Serial |
7246 |
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| Permanent link to this record |
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Author |
van ‘t Veer, K.; Reniers, F.; Bogaerts, A. |
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Title |
Zero-dimensional modeling of unpacked and packed bed dielectric barrier discharges: the role of vibrational kinetics in ammonia synthesis |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Plasma Sources Science & Technology |
Abbreviated Journal |
Plasma Sources Sci T |
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| |
Volume |
29 |
Issue |
4 |
Pages |
045020 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We present a zero-dimensional plasma kinetics model, including both surface and gas phase kinetics, to determine the role of vibrationally excited states in plasma-catalytic ammonia synthesis. We defined a new method to systematically capture the conditions of dielectric barrier discharges (DBDs), including those found in packed bed DBDs. We included the spatial and temporal nature of such discharges by special consideration of the number of micro-discharges in the model. We introduce a parameter that assigns only a part of the plasma power to the microdischarges, to scale the model conditions from filamentary to uniform plasma. Because of the spatial and temporal behaviour of the micro-discharges, not all micro-discharges occurring in the plasma reactor during a certain gas residence time are affecting the molecules. The fraction of power considered in the model ranges from 0.005 %, for filamentary plasma, to 100 %, for uniform plasma. If vibrational excitation is included in the plasma chemistry, these different conditions, however, yield an ammonia density that is only varying within one order of magnitude. At only 0.05 % of the power put into the uniform plasma component, a model neglecting vibrational excitation clearly does not result in adequate amounts of ammonia. Thus, our new model, which accounts for the concept in which not all the power is deposited by the micro-discharges, but some part may also be distributed in between them, suggests that vibrational kinetic processes are really important in (packed bed) DBDs. Indeed, vibrational excitation takes place in both the uniform plasma between the micro-discharges and in the strong micro-discharges, and is responsible for an increased N2 dissociation rate. This is shown here for plasma-catalytic ammonia synthesis, but might also be valid for other gas conversion applications. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000570241500001 |
Publication Date |
2020-04-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1361-6595 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.8 |
Times cited |
|
Open Access |
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Notes |
This research was supported by the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. The authors would also like to thank Dr. Fatme Jardali for the discussions on plasma kinetic modelling and Dr. Jungmi Hong and Dr. Anthony B. Murphy for their aid in the calculation of the diffusion coefficients. |
Approved |
Most recent IF: 3.8; 2020 IF: 3.302 |
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Call Number |
PLASMANT @ plasmant @c:irua:168097 |
Serial |
6359 |
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Author |
Dabaghmanesh, S.; Saniz, R.; Amini, M.N.; Lamoen, D.; Partoens, B. |
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Title |
Perovskite transparent conducting oxides : an ab initio study |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
25 |
Issue |
41 |
Pages |
415503 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We present an ab initio study of the electronic structure and of the formation energies of various point defects in BaSnO3 and SrGeO3. We show that La and Y impurities substituting Ba or Sr are shallow donors with a preferred 1 + charge state. These defects have a low formation energy within all the suitable equilibrium growth conditions considered. Oxygen vacancies behave as shallow donors as well, preferring the 2 + charge state. Their formation energies, however, are higher in most growth conditions, indicating a limited contribution to conductivity. The calculated electron effective mass in BaSnO3, with a value of 0.21 me, and the very high mobility reported recently in La-doped BaSnO3 single-crystals, suggest that remarkably low scattering rates can be achieved in the latter. In the case of SrGeO3, our results point to carrier density and mobility values in the low range for typical polycrystalline TCOs, in line with experiment. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000324920400011 |
Publication Date |
2013-09-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-8984;1361-648X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
17 |
Open Access |
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Notes |
FWO;Hercules |
Approved |
Most recent IF: 2.649; 2013 IF: 2.223 |
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Call Number |
UA @ lucian @ c:irua:110495 |
Serial |
2574 |
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Author |
Bal, K.M.; Bogaerts, A.; Neyts, E.C. |
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Title |
Ensemble-Based Molecular Simulation of Chemical Reactions under Vibrational Nonequilibrium |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Journal Of Physical Chemistry Letters |
Abbreviated Journal |
J Phys Chem Lett |
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Volume |
11 |
Issue |
2 |
Pages |
401-406 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We present an approach to incorporate the effect of vibrational nonequilibrium in molecular dynamics (MD) simulations. A perturbed canonical ensemble, in which selected modes are excited to higher temperature while all others remain equilibrated at low temperature, is simulated by applying a specifically tailored bias potential. Our method can be readily applied to any (classical or quantum mechanical) MD setup at virtually no additional computational cost and allows the study of reactions of vibrationally excited molecules in nonequilibrium environments such as plasmas. In combination with enhanced sampling methods, the vibrational efficacy and mode selectivity of vibrationally stimulated reactions can then be quantified in terms of chemically relevant observables, such as reaction rates and apparent free energy barriers. We first validate our method for the prototypical hydrogen exchange reaction and then show how it can capture the effect of vibrational excitation on a symmetric SN2 reaction and radical addition on CO2. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000508473400008 |
Publication Date |
2020-01-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1948-7185 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
5.7 |
Times cited |
|
Open Access |
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Notes |
Universiteit Antwerpen; Fonds Wetenschappelijk Onderzoek, 12ZI420N ; Departement Economie, Wetenschap en Innovatie van de Vlaamse Overheid; K.M.B. was funded as a junior postdoctoral fellow of the FWO (Research Foundation − Flanders), Grant 12ZI420N, and through a TOP-BOF research project of the University of Antwerp. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government− department EWI. |
Approved |
Most recent IF: 5.7; 2020 IF: 9.353 |
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Call Number |
PLASMANT @ plasmant @c:irua:165587 |
Serial |
5442 |
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Author |
Yampolskii, S.V.; Peeters, F.M. |
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Title |
Giant vortices in small mesoscopic disks : an approximate description |
Type |
A1 Journal article |
| |
Year |
2002 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
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| |
Volume |
369 |
Issue |
1/4 |
Pages |
347-350 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We present an approximate description of the giant vortex state in a thin mesoscopic superconducting disk within the phenomenological Ginzburg-Landau approach. Analytical asymptotic expressions for the energies of the states with fixed vorticity are obtained when a small magnetic flux is accumulated in the disk. The spectrum of the lowest Landau levels of such a disk is also discussed. (C) 2001 Elsevier Science B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000174200000063 |
Publication Date |
2002-07-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0921-4534; |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
1.404 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 1.404; 2002 IF: 0.912 |
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Call Number |
UA @ lucian @ c:irua:94930 |
Serial |
1342 |
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| Permanent link to this record |
