Records |
Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
Title |
Accurate ab initio quartic force fields and thermochemistry of FNO and CINO |
Type |
A1 Journal article |
Year |
1994 |
Publication |
The journal of physical chemistry |
Abbreviated Journal |
|
Volume |
98 |
Issue |
44 |
Pages |
11394-11400 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The quartic force fields of FNO and CINO have been computed at the CCSD(T)/cc-pVTZ level. Using an ''augmented'' basis set dramatically improves results for FNO but has no significant effect for CINO. The best computed force field for FNO yields harmonic frequencies and fundamentals in excellent agreement with experiment. Overall, the force fields proposed in the present work are probably the most reliable ones ever published for these molecules. Total atomization energies have been computed using basis sets of spdfg quality: our best estimates are Sigma D-0 = 208.5 +/- 1 and 185.4 +/- 1 kcal/mol for FN0 and CINO, respectively. The computed value for FNO suggests a problem with the established experimental heat of formation. Thermodynamic tables in JANAF style at 100-2000 K are presented for both FNO and CINO. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
A1994PP89400022 |
Publication Date |
2005-03-15 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-3654;1541-5740; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
21 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:12310 |
Serial |
44 |
Permanent link to this record |
|
|
|
Author |
Houssa, M.; Scalise, E.; Sankaran, K.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
Title |
Electronic properties of hydrogenated silicene and germanene |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
98 |
Issue |
22 |
Pages |
223107 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The electronic properties of hydrogenated silicene and germanene, so called silicane and germanane, respectively, are investigated using first-principles calculations based on density functional theory. Two different atomic configurations are found to be stable and energetically degenerate. Upon the adsorption of hydrogen, an energy gap opens in silicene and germanene. Their energy gaps are next computed using the HSE hybrid functional as well as the G(0)W(0) many-body perturbation method. These materials are found to be wide band-gap semiconductors, the type of gap in silicane (direct or indirect) depending on its atomic configuration. Germanane is predicted to be a direct-gap material, independent of its atomic configuration, with an average energy gap of about 3.2 eV, this material thus being potentially interesting for optoelectronic applications in the blue/violet spectral range. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3595682] |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000291405700057 |
Publication Date |
2011-06-03 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
63 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2011 IF: 3.844 |
Call Number |
UA @ lucian @ c:irua:105586 |
Serial |
1003 |
Permanent link to this record |
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|
|
Author |
Yusupov, M.; Bultinck, E.; Depla, D.; Bogaerts, A. |
Title |
Elucidating the asymmetric behavior of the discharge in a dual magnetron sputter deposition system |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
98 |
Issue |
13 |
Pages |
131502-131502,3 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A magnetron discharge is characterized by drifts of the charged particles guiding center, caused by the magnetic field, in contrast to unmagnetized discharges. Because of these drifts, a pronounced asymmetry of the discharge can be observed in a dual magnetron setup. In this work, it is found that the shape of the discharge in a dual magnetron configuration depends on the magnetic field configuration. In a closed configuration, strong drifts were observed in one preferential direction, whereas in a mirror configuration the deflection of the discharge was not so pronounced. Our calculations confirm experimental observations. |
Address |
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Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000289153600017 |
Publication Date |
2011-04-01 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
4 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2011 IF: 3.844 |
Call Number |
UA @ lucian @ c:irua:87867 |
Serial |
1026 |
Permanent link to this record |
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|
|
Author |
Georgieva, V.; Bogaerts, A. |
Title |
Numerical simulation of dual frequency etching reactors: influence of the external process parameters on the plasma characteristics |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
98 |
Issue |
2 |
Pages |
023308,1-13 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000230931500016 |
Publication Date |
2005-07-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
75 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2005 IF: 2.498 |
Call Number |
UA @ lucian @ c:irua:53575 |
Serial |
2404 |
Permanent link to this record |
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|
|
Author |
Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
Title |
Structural and vibrational properties of amorphous GeO2 from first-principles |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
98 |
Issue |
20 |
Pages |
202110,1-202110,3 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The structural and vibrational properties of amorphous germanium oxide (a-GeO<sub>2</sub>) are investigated using first-principles calculations based on density functional theory. We first generate an a-GeO<sub>2</sub> structure by first-principles molecular dynamics and analyze its structural properties. The vibrational spectra is then calculated within a density-functional approach. Both static and dynamic properties are in good agreement with experimental data. We next generate defects in our structure (oxygen vacancies with several density and charge states) and consider the most stable atomic configurations, focusing on the vibrational features of threefold coordinated O and divalent Ge centers. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000290812100038 |
Publication Date |
2011-05-20 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
226 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2011 IF: 3.844 |
Call Number |
UA @ lucian @ c:irua:90222 |
Serial |
3202 |
Permanent link to this record |
|
|
|
Author |
Baguer, N.; Bogaerts, A. |
Title |
Study of the sputtered Cu atoms and Cu+ ions in a hollow cathode glow discharge using a hybrid model |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
98 |
Issue |
3 |
Pages |
033303,1-033303,11 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The role of the Cu atoms sputtered from the cathode material in a cylindrical hollow cathode discharge (HCD) and the corresponding Cu+ ions are studied with a self-consistent model based on the principle of Monte Carlo (MC) and fluid simulations. In order to obtain a more realistic view of the discharge processes, this model is coupled with other submodels, which describe the behavior of electrons, fast Ar atoms, Ar+ ions, and Ar metastable atoms, also based on the principles of MC and fluid simulations. Typical results are, among others, the thermalization profile of the Cu atoms, the fast Cu atom, the thermal Cu atom and Cu+ ion fluxes and densities, and the energy distribution of the Cu+ ions. It was found that the contribution of the Ar+ ions to the sputtering was the most significant, followed by the fast Ar atoms. At the cathode bottom, there was no net sputtered flux but a net amount of redeposition. Throughout the discharge volume, at all the conditions investigated, the largest concentration of Cu atoms was found in the lower half of the HCD, close to the bottom. Penning ionization was found the main ionization mechanism for the Cu atoms. The ionization degree of copper atoms was found to be in the same order as for the argon atoms (10-4). (c) 2005 American Institute of Physics. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000231246100007 |
Publication Date |
2005-08-08 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
18 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2005 IF: 2.498 |
Call Number |
UA @ lucian @ c:irua:54597 |
Serial |
3340 |
Permanent link to this record |
|
|
|
Author |
Chen, Z.; Bleiner, D.; Bogaerts, A. |
Title |
Effect of ambient pressure on laser ablation and plume expansion dynamics: a numerical simulation |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
99 |
Issue |
6 |
Pages |
063304,1-9 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000236464400008 |
Publication Date |
2006-04-06 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
42 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2006 IF: 2.316 |
Call Number |
UA @ lucian @ c:irua:56903 |
Serial |
794 |
Permanent link to this record |
|
|
|
Author |
Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
Title |
Inelastic electron tunneling spectroscopy of HfO2 gate stacks : a study based on first-principles modeling |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
99 |
Issue |
13 |
Pages |
132101,1-132101,3 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A first-principles modeling approach is used to investigate the vibrational properties of HfO2. The calculated phonon density of states is compared to experimental results obtained from inelastic electron tunneling spectroscopy (IETS) of various metal-oxide-semiconductor devices with HfO2 gate stacks. This comparison provides deep insights into the nature of the signatures of the complicated IETS spectra and provides valuable structural information about the gate stack, such as the possible presence of oxygen vacancies in jet-vapour deposited HfO2. Important structural differences between the interface of atomic-layer or molecular-beam deposited HfO2 and the Si substrate are also revealed. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000295618000036 |
Publication Date |
2011-09-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
1 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2011 IF: 3.844 |
Call Number |
UA @ lucian @ c:irua:93611 |
Serial |
1606 |
Permanent link to this record |
|
|
|
Author |
Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R. |
Title |
On the quasi-random entropy of linear species |
Type |
A1 Journal article |
Year |
1993 |
Publication |
Theochem: applications of theoretical chemistry to organic, inorganic and biological problems |
Abbreviated Journal |
|
Volume |
99 |
Issue |
|
Pages |
83-87 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
A1993KU09200010 |
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0166-1280 |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:6147 |
Serial |
2448 |
Permanent link to this record |
|
|
|
Author |
Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M. |
Title |
Unraveling the deposition mechanism in a-C:H thin-film growth: a molecular-dynamics study for the reaction behavior of C3 and C3H radicals with a-C:H surfaces |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
99 |
Issue |
1 |
Pages |
014902,1-8 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000234607200071 |
Publication Date |
2006-01-23 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
25 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2006 IF: 2.316 |
Call Number |
UA @ lucian @ c:irua:55831 |
Serial |
3815 |
Permanent link to this record |
|
|
|
Author |
Clima, S.; Chen, Y.Y.; Degraeve, R.; Mees, M.; Sankaran, K.; Govoreanu, B.; Jurczak, M.; De Gendt, S.; Pourtois, G. |
Title |
First-principles simulation of oxygen diffusion in HfOx : role in the resistive switching mechanism |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
100 |
Issue |
13 |
Pages |
133102-133102,4 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Transition metal oxide-based resistor random access memory (RRAM) takes advantage of oxygen-related defects in its principle of operation. Since the change in resistivity of the material is controlled by the oxygen deficiency level, it is of major importance to quantify the kinetics of the oxygen diffusion, key factor for oxide stoichiometry. Ab initio accelerated molecular dynamics techniques are employed to investigate the oxygen diffusivity in amorphous hafnia (HfOx, x = 1.97, 1.0, 0.5). The computed kinetics is in agreement with experimental measurements. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3697690] |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000302230800060 |
Publication Date |
2012-03-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
63 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2012 IF: 3.794 |
Call Number |
UA @ lucian @ c:irua:97786 |
Serial |
1214 |
Permanent link to this record |
|
|
|
Author |
Chen, Y.Y.; Pourtois, G.; Adelmann, C.; Goux, L.; Govoreanu, B.; Degreave, R.; Jurczak, M.; Kittl, J.A.; Groeseneken, G.; Wouters, D.J. |
Title |
Insights into Ni-filament formation in unipolar-switching Ni/HfO2/TiN resistive random access memory device |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
100 |
Issue |
11 |
Pages |
113513-113513,4 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In this letter, CMOS-compatible Ni/HfO2/TiN resistive random access memory stacks demonstrated attractive unipolar switching properties, showing >10(3) endurance and long retention at 150 degrees C. The Ni bottom electrode (BE) improved the switching yield over the NiSiPt BE. To better understand the unipolar forming mechanism, ab initio simulation and time of flight-secondary ion mass spectroscopy were utilized. Compared to the NiSiPt BE, Ni BE gives larger Ni diffusion in the HfO2 and lower formation enthalpy of Ni2+ species during electrical forming. Both the electrical and physical results supported a Ni-injection mechanism for the filament formation. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3695078] |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000302204900091 |
Publication Date |
2012-03-17 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
29 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2012 IF: 3.794 |
Call Number |
UA @ lucian @ c:irua:98295 |
Serial |
1674 |
Permanent link to this record |
|
|
|
Author |
Liu, Y.-X.; Zhang, Q.-Z.; Liu, J.; Song, Y.-H.; Bogaerts, A.; Wang, Y.-N. |
Title |
Effect of bulk electric field reversal on the bounce resonance heating in dual-frequency capacitively coupled electronegative plasmas |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
101 |
Issue |
11 |
Pages |
114101 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The electron bounce resonance heating (BRH) in dual-frequency capacitively coupled plasmas operated in oxygen and argon has been studied by different experimental methods. In comparison with the electropositive argon discharge, the BRH in an electronegative discharge occurs at larger electrode gaps. Kinetic particle simulations reveal that in the oxygen discharge, the bulk electric field becomes quite strong and is out of phase with the sheath field. Therefore, it retards the resonant electrons when traversing the bulk, resulting in a suppressed BRH. This effect becomes more pronounced at lower high-frequency power, when the discharge mode changes from electropositive to electronegative. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000309329300094 |
Publication Date |
2012-09-10 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
26 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2012 IF: 3.794 |
Call Number |
UA @ lucian @ c:irua:100637 |
Serial |
802 |
Permanent link to this record |
|
|
|
Author |
Bleiner, D.; Bogaerts, A.; Belloni, F.; Nassisi, V. |
Title |
Laser-induced plasmas from the ablation of metallic targets: the problem of the onset temperature, and insights on the expansion dynamics |
Type |
A1 Journal article |
Year |
2007 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
101 |
Issue |
8 |
Pages |
083301,1-5 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Laser-induced plasmas are transient systems rapidly aging in few nanoseconds of evolution. Time-of-flight spectrometry allowed studying initial plasma characteristics based on frozen translational degrees of freedom, hence overcoming intrinsic limitations of optical spectroscopy. Experimental ion velocity distributions were reconstructed as developed during the longitudinal plasma expansion. The obtained onset plasma temperatures are in the range of similar to 18-45 eV depending on the ablated metals. Also the ion angular spreads were found to be a function of ablated metal, e.g., the narrowest for Fe, the broadest for Al, due to different collisional coupling in the plasma population. (c) 2007 American Institute of Physics. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000246072200047 |
Publication Date |
2007-04-18 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
31 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2007 IF: 2.171 |
Call Number |
UA @ lucian @ c:irua:64635 |
Serial |
1788 |
Permanent link to this record |
|
|
|
Author |
Jalali, H.; Ghorbanfekr, H.; Hamid, I.; Neek-Amal, M.; Rashidi, R.; Peeters, F.M. |
Title |
Out-of-plane permittivity of confined water |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Physical Review E |
Abbreviated Journal |
Phys Rev E |
Volume |
102 |
Issue |
2 |
Pages |
022803 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The dielectric properties of confined water is of fundamental interest and is still controversial. For water confined in channels with height smaller than h = 8 angstrom, we found a commensurability effect and an extraordinary decrease in the out-of-plane dielectric constant down to the limit of the dielectric constant of optical water. Spatial resolved polarization density data obtained from molecular dynamics simulations are found to be antisymmetric across the channel and are used as input in a mean-field model for the dielectric constant as a function of the height of the channel for h > 15 angstrom. Our results are in excellent agreement with a recent experiment [L. Fumagalli et al., Science 360, 1339 (2018)]. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000560660400004 |
Publication Date |
2020-08-11 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1539-3755; 1550-2376 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.366 |
Times cited |
38 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; |
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:171157 |
Serial |
6574 |
Permanent link to this record |
|
|
|
Author |
Bultinck, E.; Kolev, I.; Bogaerts, A.; Depla, D. |
Title |
The importance of an external circuit in a particle-in-cell/Monte Carlo collisions model for a direct current planar magnetron |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
103 |
Issue |
1 |
Pages |
013309,1-9 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000252890700024 |
Publication Date |
2008-01-15 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
29 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2008 IF: 2.201 |
Call Number |
UA @ lucian @ c:irua:66176 |
Serial |
1564 |
Permanent link to this record |
|
|
|
Author |
Wendelen, W.; Mueller, B.Y.; Autrique, D.; Bogaerts, A.; Rethfeld, B. |
Title |
Modeling ultrashort laser-induced emission from a negatively biased metal |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
103 |
Issue |
22 |
Pages |
221603-221604 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A theoretical study of ultrashort laser-induced electron emission from a negatively biased metallic cathode has been performed. Classical as well as tunneling electron emission mechanisms are considered. It was found that electron emission is governed by an interplay of processes inside as well as above the cathode. A hybrid model is proposed, where the electron distribution within the target is retrieved from Boltzmann scattering integrals, while the charge distribution above it is studied by a Particle-In-Cell simulation. The results indicate that non-equilibrium effects determine the initial emission process, whereas the space charge above the target suppresses the effectively emitted charge. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000327696300020 |
Publication Date |
2013-11-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
8 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2013 IF: 3.515 |
Call Number |
UA @ lucian @ c:irua:111815 |
Serial |
2147 |
Permanent link to this record |
|
|
|
Author |
Autrique, D.; Gornushkin, I.; Alexiades, V.; Chen, Z.; Bogaerts, A.; Rethfeld, B. |
Title |
Revisiting the interplay between ablation, collisional, and radiative processes during ns-laser ablation |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
103 |
Issue |
17 |
Pages |
174102-174105 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A study of ns-laser ablation is presented, which focuses on the transient behavior of the physical processes that act in and above a copper sample. A dimensionless multiphase collisional radiative model describes the interplay between the ablation, collisional, and radiative mechanisms. Calculations are done for a 6 ns-Nd:YAG laser pulse operating at 532 nm and fluences up to 15 J/cm2. Temporal intensity profiles as well as transmissivities are in good agreement with experimental results. It is found that volumetric ablation mechanisms and photo-processes both play an essential role in the onset of ns-laser induced breakdown. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000326455100107 |
Publication Date |
2013-10-21 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
13 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2013 IF: 3.515 |
Call Number |
UA @ lucian @ c:irua:110944 |
Serial |
2906 |
Permanent link to this record |
|
|
|
Author |
Kolev, I.; Bogaerts, A. |
Title |
Calculation of gas heating in a dc sputter magnetron |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
104 |
Issue |
9 |
Pages |
093301,1-093301,8 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The effect of gas heating in laboratory sputter magnetrons is investigated by means of numerical modeling. The model is two-dimensional in the coordinate space and three-dimensional in the velocity space based on the particle-in-cellMonte Carlo collisions technique. It is expanded in a way that allows the inclusion of the neutral plasma particles (fast gas atoms and sputtered atoms), which makes it possible to calculate the gas temperature and its influence on the discharge behavior in a completely self-consistent way. The results of the model are compared to experimental measurements and to other existing simulation results. The results show that gas heating is pressure dependent (rising with the increase in the gas pressure) and should be taken into consideration at pressures above 10 mTorr. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000260941700017 |
Publication Date |
2008-11-07 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
19 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2008 IF: 2.201 |
Call Number |
UA @ lucian @ c:irua:71286 |
Serial |
267 |
Permanent link to this record |
|
|
|
Author |
Clima, S.; Wouters, D.J.; Adelmann, C.; Schenk, T.; Schroeder, U.; Jurczak, M.; Pourtois, G. |
Title |
Identification of the ferroelectric switching process and dopant-dependent switching properties in orthorhombic HfO2 : a first principles insight |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
104 |
Issue |
9 |
Pages |
092906 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The origin of the ferroelectric polarization switching in orthorhombic HfO2 has been investigated by first principles calculations. The phenomenon can be regarded as being the coordinated displacement of four O ions in the orthorhombic unit cell, which can lead to a saturated polarization as high as 53 mu C/cm(2). We show the correlation between the computed polarization reversal barrier and the experimental coercive fields. (C) 2014 AIP Publishing LLC. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000332729200078 |
Publication Date |
2014-03-06 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
79 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
Call Number |
UA @ lucian @ c:irua:116873 |
Serial |
1550 |
Permanent link to this record |
|
|
|
Author |
Bogaerts, A.; Gijbels, R.; Grozeva, M.; Sabotinov, N. |
Title |
Investigation of laser output power saturation in the He-Cu+ IR hollow cathode discharge laser by experiments and numerical modeling |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Physica scripta |
Abbreviated Journal |
Phys Scripta |
Volume |
T105 |
Issue |
|
Pages |
90-97 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Stockholm |
Editor |
|
Language |
|
Wos |
000184344900014 |
Publication Date |
2003-07-31 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0031-8949; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.28 |
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.28; 2003 IF: 0.688 |
Call Number |
UA @ lucian @ c:irua:44019 |
Serial |
1733 |
Permanent link to this record |
|
|
|
Author |
Ariskin, D.A.; Schweigert, I.V.; Alexandrov, A.L.; Bogaerts, A.; Peeters, F.M. |
Title |
Modeling of chemical processes in the low pressure capacitive radio frequency discharges in a mixture of Ar/C2H2 |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
105 |
Issue |
6 |
Pages |
063305,1-063305,9 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
We study the properties of a capacitive 13.56 MHz discharge with a mixture of Ar/C<sub>2</sub>H<sub>2</sub> taking into account the plasmochemistry and growth of heavy hydrocarbons. A hybrid model was developed to combine the kinetic description for electron motion and the fluid approach for negative and positive ion transports and plasmochemical processes. A significant change in plasma parameters related to injection of 5.8% portion of acetylene in argon was observed and analyzed. We found that the electronegativity of the mixture is about 30%. The densities of negatively and positively charged heavy hydrocarbons are sufficiently large to be precursors for the formation of nanoparticles in the discharge volume. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000264774000059 |
Publication Date |
2009-03-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
21 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2009 IF: 2.072 |
Call Number |
UA @ lucian @ c:irua:74496 |
Serial |
2121 |
Permanent link to this record |
|
|
|
Author |
Dumpala, S.; Broderick, S.R.; Khalilov, U.; Neyts, E.C.; van Duin, A.C.T.; Provine, J.; Howe, R.T.; Rajan, K. |
Title |
Integrated atomistic chemical imaging and reactive force field molecular dynamic simulations on silicon oxidation |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
106 |
Issue |
106 |
Pages |
011602 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In this paper, we quantitatively investigate with atom probe tomography, the effect of temperature on the interfacial transition layer suboxide species due to the thermal oxidation of silicon. The chemistry at the interface was measured with atomic scale resolution, and the changes in chemistry and intermixing at the interface were identified on a nanometer scale. We find an increase of suboxide (SiOx) concentration relative to SiO2 and increased oxygen ingress with elevated temperatures. Our experimental findings are in agreement with reactive force field molecular dynamics simulations. This work demonstrates the direct comparison between atom probe derived chemical profiles and atomistic-scale simulations for transitional interfacial layer of suboxides as a function of temperature. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000347976900008 |
Publication Date |
2015-01-06 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
19 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2015 IF: 3.302 |
Call Number |
c:irua:122300 |
Serial |
1679 |
Permanent link to this record |
|
|
|
Author |
Saraiva, M.; Georgieva, V.; Mahieu, S.; van Aeken, K.; Bogaerts, A.; Depla, D. |
Title |
Compositional effects on the growth of Mg(M)O films |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
107 |
Issue |
3 |
Pages |
034902,1-034902,10 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The influence of the composition on the crystallographic properties of deposited Mg(M)O (with M=Al, Cr, Ti, Y, and Zr) films is studied. For a flexible control of the composition, dual reactive magnetron sputtering was used as deposition technique. Two different approaches to predict the composition are discussed. The first is an experimental way based on the simple relationship between the deposition rate and the target-substrate distance. The second is a route using a Monte Carlo based particle trajectory code. Both methods require a minimal experimental input and enable the user to quickly predict the composition of complex thin films. Good control and flexibility allow us to study the compositional effects on the growth of Mg(M)O films. Pure MgO thin films were grown with a (111) preferential out-of-plane orientation. When adding M to MgO, two trends were noticed. The first trend is a change in the MgO lattice parameters compared to pure MgO. The second tendency is a decrease in the crystallinity of the MgO phase. The experimentally determined crystallographic properties are shown to be in correspondence with the predicted properties from molecular dynamics simulations. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000274517300116 |
Publication Date |
2010-02-03 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2010 IF: 2.079 |
Call Number |
UA @ lucian @ c:irua:80346 |
Serial |
447 |
Permanent link to this record |
|
|
|
Author |
Vande Velde, C.; Bultinck, E.; Tersago, K.; van Alsenoy, C.; Blockhuys, F. |
Title |
From anisole to 1,2,4,5-tetramethoxybenzene: theoretical study of the factors that determine the conformation of methoxy groups on a benzene ring |
Type |
A1 Journal article |
Year |
2007 |
Publication |
International journal of quantum chemistry |
Abbreviated Journal |
Int J Quantum Chem |
Volume |
107 |
Issue |
3 |
Pages |
670-679 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000242706900016 |
Publication Date |
2006-10-03 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0020-7608;1097-461X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.92 |
Times cited |
14 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.92; 2007 IF: 1.368 |
Call Number |
UA @ lucian @ c:irua:60633 |
Serial |
1279 |
Permanent link to this record |
|
|
|
Author |
Gou, F.; Neyts, E.; Eckert, M.; Tinck, S.; Bogaerts, A. |
Title |
Molecular dynamics simulations of Cl+ etching on a Si(100) surface |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
107 |
Issue |
11 |
Pages |
113305,1-113305,6 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Molecular dynamics simulations using improved TersoffBrenner potential parameters were performed to investigate Cl+ etching of a {2×1} reconstructed Si(100) surface. Steady-state Si etching accompanying the Cl coverage of the surface is observed. Furthermore, a steady-state chlorinated reaction layer is formed. The thickness of this reaction layer is found to increase with increasing energy. The stoichiometry of SiClx species in the reaction layer is found to be SiCl:SiCl2:SiCl3 = 1.0:0.14:0.008 at 50 eV. These results are in excellent agreement with available experimental data. While elemental Si products are created by physical sputtering, most SiClx (0<x<4) etch products are produced by chemical-enhanced physical sputtering. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000278907100018 |
Publication Date |
2010-06-04 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2010 IF: 2.079 |
Call Number |
UA @ lucian @ c:irua:82663 |
Serial |
2175 |
Permanent link to this record |
|
|
|
Author |
Depla, D.; Li, X.Y.; Mahieu, S.; van Aeken, K.; Leroy, W.P.; Haemers, J.; de Gryse, R.; Bogaerts, A. |
Title |
Rotating cylindrical magnetron sputtering: simulation of the reactive process |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
107 |
Issue |
11 |
Pages |
113307,1-113307,9 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A rotating cylindrical magnetron consists of a cylindrical tube, functioning as the cathode, which rotates around a stationary magnet assembly. In stationary mode, the cylindrical magnetron behaves similar to a planar magnetron with respect to the influence of reactive gas addition to the plasma. However, the transition from metallic mode to poisoned mode and vice versa depends on the rotation speed. An existing model has been modified to simulate the influence of target rotation on the well known hysteresis behavior during reactive magnetron sputtering. The model shows that the existing poisoning mechanisms, i.e., chemisorption, direct reactive ion implantation and knock on implantation, are insufficient to describe the poisoning behavior of the rotating target. A better description of the process is only possible by including the deposition of sputtered material on the target. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000278907100020 |
Publication Date |
2010-06-07 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2010 IF: 2.079 |
Call Number |
UA @ lucian @ c:irua:82631 |
Serial |
2930 |
Permanent link to this record |
|
|
|
Author |
Faraji, F.; Neek-Amal, M.; Neyts, E.C.; Peeters, F.M. |
Title |
Cation-controlled permeation of charged polymers through nanocapillaries |
Type |
A1 Journal article |
Year |
2023 |
Publication |
Physical review E |
Abbreviated Journal |
Phys Rev E |
Volume |
107 |
Issue |
3 |
Pages |
034501-34510 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Molecular dynamics simulations are used to study the effects of different cations on the permeation of charged polymers through flat capillaries with heights below 2 nm. Interestingly, we found that, despite being monovalent, Li+ , Na+ , and K+ cations have different effects on polymer permeation, which consequently affects their transmission speed throughout those capillaries. We attribute this phenomenon to the interplay of the cations' hydration free energies and the hydrodynamic drag in front of the polymer when it enters the capillary. Different alkali cations exhibit different surface versus bulk preferences in small clusters of water under the influence of an external electric field. This paper presents a tool to control the speed of charged polymers in confined spaces using cations. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000955986000006 |
Publication Date |
2023-03-17 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2470-0053 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.4 |
Times cited |
1 |
Open Access |
Not_Open_Access |
Notes |
|
Approved |
Most recent IF: 2.4; 2023 IF: 2.366 |
Call Number |
UA @ admin @ c:irua:196089 |
Serial |
7586 |
Permanent link to this record |
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Author |
Dhayalan, S.K.; Kujala, J.; Slotte, J.; Pourtois, G.; Simoen, E.; Rosseel, E.; Hikavyy, A.; Shimura, Y.; Iacovo, S.; Stesmans, A.; Loo, R.; Vandervorst, W.; |
Title |
On the manifestation of phosphorus-vacancy complexes in epitaxial Si:P films |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
108 |
Issue |
108 |
Pages |
082106 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In situ doped epitaxial Si: P films with P concentrations > 1 x 10(21) at./cm(3) are suitable for source-drain stressors of n-FinFETs. These films combine the advantages of high conductivity derived from the high P doping with the creation of tensile strain in the Si channel. It has been suggested that the tensile strain developed in the Si: P films is due to the presence of local Si3P4 clusters, which however do not contribute to the electrical conductivity. During laser annealing, the Si3P4 clusters are expected to disperse resulting in an increased conductivity while the strain reduces slightly. However, the existence of Si3P4 is not proven. Based on first-principles simulations, we demonstrate that the formation of vacancy centered Si3P4 clusters, in the form of four P atoms bonded to a Si vacancy, is thermodynamically favorable at such high P concentrations. We suggest that during post epi-growth annealing, a fraction of the P atoms from these clusters are activated, while the remaining part goes into interstitial sites, thereby reducing strain. We corroborate our conjecture experimentally using positron annihilation spectroscopy, electron spin resonance, and Rutherford backscattering ion channeling studies. (C) 2016 AIP Publishing LLC. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000373057000023 |
Publication Date |
2016-02-24 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-6951; 1077-3118 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
9 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.411 |
Call Number |
UA @ lucian @ c:irua:133245 |
Serial |
4217 |
Permanent link to this record |
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Author |
Lu, A.K.A.; Pourtois, G.; Agarwal, T.; Afzalian, A.; Radu, I.P.; Houssa, M. |
Title |
Origin of the performances degradation of two-dimensional-based metal-oxide-semiconductor field effect transistors in the sub-10 nm regime: A first-principles study |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
108 |
Issue |
4 |
Pages |
043504 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The impact of the scaling of the channel length on the performances of metal-oxide-semiconductor field effect transistors, based on two-dimensional (2D) channel materials, is theoretically investigated, using density functional theory combined with the non-equilibrium Green's function method. It is found that the scaling of the channel length below 10nm leads to strong device performance degradations. Our simulations reveal that this degradation is essentially due to the tunneling current flowing between the source and the drain in these aggressively scaled devices. It is shown that this electron tunneling process is modulated by the effective mass of the 2D channel material, and sets the limit of the scaling in future transistor designs. (C) 2016 AIP Publishing LLC. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000375217200061 |
Publication Date |
2016-01-26 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-6951; 1077-3118 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
4 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.411 |
Call Number |
UA @ lucian @ c:irua:144750 |
Serial |
4677 |
Permanent link to this record |