| Records |
| Author |
Spadaro, M.C.; Luches, P.; Bertoni, G.; Grillo, V.; Turner, S.; Van Tendeloo, G.; Valeri, S.; D'Addato, S. |
| Title |
Influence of defect distribution on the reducibility of CeO2-x nanoparticles |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
| Volume |
27 |
Issue |
27 |
Pages |
425705 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Ceria nanoparticles (NPs) are fundamental in heterogeneous catalysis because of their ability to store or release oxygen depending on the ambient conditions. Their oxygen storage capacity is strictly related to the exposed planes, crystallinity, density and distribution of defects. In this work a study of ceria NPs produced with a ligand-free, physical synthesis method is presented. The NP films were grown by a magnetron sputtering based gas aggregation source and studied by high resolution- and scanning-transmission electron microscopy and x-ray photoelectron spectroscopy. In particular, the influence of the oxidation procedure on the NP reducibility has been investigated. The different reducibility has been correlated to the exposed planes, crystallinity and density and distribution of structural defects. The results obtained in this work represent a basis to obtain cerium oxide NP with desired oxygen transport properties. |
| Address |
Dipartimento FIM, Universita di Modena e Reggio Emilia, via G. Campi 213/a, I-41125 Modena, Italy. CNR-NANO, via G. Campi 213/a, I-41125 Modena, Italy |
| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
English |
Wos |
000385483900004 |
Publication Date |
2016-09-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor  |
3.44 |
Times cited |
11 |
Open Access |
|
| Notes |
The authors gratefully acknowledge financial support by the Italian MIUR under grant FIRB RBAP115AYN (Oxides at the nanoscale: multifunctionality and applications). The activity is performed within the COST Action CM1104 'Reducible oxide chemistry, structure and functions'. The research leading to these results has received funding also from the European Union Seventh Framework Programme under Grant Agreement 312483—ESTEEM2 (Integrated Infrastructure Initiative–I3).; esteem2_ta |
Approved |
Most recent IF: 3.44 |
| Call Number |
EMAT @ emat @ c:irua:135424 |
Serial |
4130 |
| Permanent link to this record |
| |
|
| |
| Author |
Cai, H.; Kang, J.; Sahin, H.; Chen, B.; Suslu, A.; Wu, K.; Peeters, F.; Meng, X.; Tongay, S. |
| Title |
Exciton pumping across type-I gallium chalcogenide heterojunctions |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
| Volume |
27 |
Issue |
27 |
Pages |
065203 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Quasi-two-dimensional gallium chalcogenide heterostructures are created by transferring exfoliated few-layer GaSe onto bulk GaTe sheets. Luminescence spectroscopy measurements reveal that the light emission from underlying GaTe layers drastically increases on heterojunction regions where GaSe layers make contact with the GaTe. Density functional theory (DFT) and band offset calculations show that conduction band minimum (CBM) (valance band maximum (VBM)) values of GaSe are higher (lower) in energy compared to GaTe, forming type-I band alignment at the interface. Consequently, GaSe layers provide photo-excited electrons and holes to GaTe sheets through relatively large built-in potential at the interface, increasing overall exciton population and light emission from GaTe. Observed results are not specific to the GaSe/GaTe system but observed on GaS/GaSe heterolayers with type-I band alignment. Observed experimental findings and theoretical studies provide unique insights into interface effects across dissimilar gallium chalcogenides and offer new ways to boost optical performance by simple epitaxial coating. |
| Address |
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| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000368897100008 |
Publication Date |
2016-01-13 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.44 |
Times cited |
15 |
Open Access |
|
| Notes |
; This work was supported by the Arizona State University seeding program, the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. HS is supported by a FWO Pegasus Long Marie Curie Fellowship. JK is supported by a FWO Pegasus-short Marie Curie Fellowship. We acknowledge the use of the John M Cowley Center for High Resolution Electron Microscopy at Arizona State University. The authors thank Anupum Pant for useful discussions. We gratefully acknowledge the use of the facilities at the LeRoy Eyring Center for Solid State Science at Arizona State University. S Tongay acknowledges support from DMR-1552220. ; |
Approved |
Most recent IF: 3.44 |
| Call Number |
UA @ lucian @ c:irua:131570 |
Serial |
4179 |
| Permanent link to this record |
| |
|
| |
| Author |
Kiymaz, D.; Yagmurcukardes, M.; Tomak, A.; Sahin, H.; Senger, R.T.; Peeters, F.M.; Zareie, H.M.; Zafer, C. |
| Title |
Controlled growth mechanism of poly (3-hexylthiophene) nanowires |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
| Volume |
27 |
Issue |
27 |
Pages |
455604 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Synthesis of 1D-polymer nanowires by a self-assembly method using marginal solvents is an attractive technique. While the formation mechanism is poorly understood, this method is essential in order to control the growth of nanowires. Here we visualized the time-dependent assembly of poly (3-hexyl-thiophene-2,5-diyl) (P3HT) nanowires by atomic force microscopy and scanning tunneling microscopy. The assembly of P3HT nanowires was carried out at room temperature by mixing cyclohexanone (CHN), as a poor solvent, with polymer solution in 1,2-dichlorobenzene (DCB). Both pi-pi stacking and planarization, obtained at the mix volume ratio of P3HT (in DCB):CHN (10:7), were considered during the investigation. We find that the length of nanowires was determined by the ordering of polymers in the polymer repetition direction. Additionally, our density functional theory calculations revealed that the presence of DCB and CHN molecules that stabilize the structural distortions due to tail group of polymers was essential for the core-wire formation. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000386132600003 |
Publication Date |
2016-10-11 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.44 |
Times cited |
24 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, the High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules Foundation. HS is supported by a FWO Pegasus-Long Marie Curie Fellowship. HS and RTS acknowledge support from TUBITAK through Project No. 114F397. Also, DA is supported by the Scientific Research Project Fund of Ege University (Project Nr: 12GEE011). ; |
Approved |
Most recent IF: 3.44 |
| Call Number |
UA @ lucian @ c:irua:138159 |
Serial |
4350 |
| Permanent link to this record |
| |
|
| |
| Author |
Tomak, A.; Bacaksiz, C.; Mendirek, G.; Sahin, H.; Hur, D.; Gorgun, K.; Senger, R.T.; Birer, O.; Peeters, F.M.; Zareie, H.M. |
| Title |
Structural changes in a Schiff base molecular assembly initiated by scanning tunneling microscopy tip |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
| Volume |
27 |
Issue |
27 |
Pages |
335601 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
We report the controlled self-organization and switching of newly designed Schiff base (E)-4-((4-(phenylethynyl) benzylidene) amino) benzenethiol (EPBB) molecules on a Au (111) surface at room temperature. Scanning tunneling microscopy and spectroscopy (STM/STS) were used to image and analyze the conformational changes of the EPBB molecules. The conformational change of the molecules was induced by using the STM tip while increasing the tunneling current. The switching of a domain or island of molecules was shown to be induced by the STM tip during scanning. Unambiguous fingerprints of the switching mechanism were observed via STM/STS measurements. Surface-enhanced Raman scattering was employed, to control and identify quantitatively the switching mechanism of molecules in a monolayer. Density functional theory calculations were also performed in order to understand the microscopic details of the switching mechanism. These calculations revealed that the molecular switching behavior stemmed from the strong interaction of the EPBB molecules with the STM tip. Our approach to controlling intermolecular mechanics provides a path towards the bottom-up assembly of more sophisticated molecular machines. |
| Address |
|
| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000383780500012 |
Publication Date |
2016-07-05 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.44 |
Times cited |
2 |
Open Access |
|
| Notes |
; The authors acknowledge financial support from TUBITAK (PROJECT NO: 112T507). This work was also supported by the Flemish Science Foundation (FWO-Vl). Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid-Infrastructure). HS is supported by an FWO Pegasus Long Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.44 |
| Call Number |
UA @ lucian @ c:irua:137155 |
Serial |
4363 |
| Permanent link to this record |
| |
|
| |
| Author |
Heyne, M.H.; de Marneffe, J.-F.; Delabie, A.; Caymax, M.; Neyts, E.C.; Radu, I.; Huyghebaert, C.; De Gendt, S. |
| Title |
Two-dimensional WS2 nanoribbon deposition by conversion of pre-patterned amorphous silicon |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
| Volume |
28 |
Issue |
28 |
Pages |
04LT01 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
We present a method for area selective deposition of 2D WS2 nanoribbons with tunable thickness on a dielectric substrate. The process is based on a complete conversion of a prepatterned, H-terminated Si layer to metallic W by WF6, followed by in situ sulfidation by H2S. The reaction process, performed at 450 degrees C, yields nanoribbons with lateral dimension down to 20 nm and with random basal plane orientation. The thickness of the nanoribbons is accurately controlled by the thickness of the pre-deposited Si layer. Upon rapid thermal annealing at 900 degrees C under inert gas, the WS2 basal planes align parallel to the substrate. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000391445100001 |
Publication Date |
2016-12-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.44 |
Times cited |
13 |
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 3.44 |
| Call Number |
UA @ lucian @ c:irua:140382 |
Serial |
4471 |
| Permanent link to this record |
| |
|
| |
| Author |
Petrovic, M.D.; Milovanović, S.P.; Peeters, F.M. |
| Title |
Scanning gate microscopy of magnetic focusing in graphene devices : quantum versus classical simulation |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
| Volume |
28 |
Issue |
28 |
Pages |
185202 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
We compare classical versus quantum electron transport in recently investigated magnetic focusing devices (Bhandari et al 2016 Nano Lett. 16 1690) exposed to the perturbing potential of a scanning gate microscope (SGM). Using the Landauer-Buttiker formalism for a multi-terminal device, we calculate resistance maps that are obtained as the SGM tip is scanned over the sample. There are three unique regimes in which the scanning tip can operate (focusing, repelling, and mixed regime) which are investigated. Tip interacts mostly with electrons with cyclotron trajectories passing directly underneath it, leaving a trail of modified current density behind it. Other (indirect) trajectories become relevant when the tip is placed near the edges of the sample, and current is scattered between the tip and the edge. We point out that, in contrast to SGM experiments on gapped semiconductors, the STM tip can induce a pn junction in graphene, which improves contrast and resolution in SGM. We also discuss possible explanations for spatial asymmetry of experimentally measured resistance maps, and connect it with specific configurations of the measuring probes. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000399273800001 |
Publication Date |
2017-03-17 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.44 |
Times cited |
7 |
Open Access |
|
| Notes |
; This work was supported by the Methusalem program of the Flemish government. ; |
Approved |
Most recent IF: 3.44 |
| Call Number |
UA @ lucian @ c:irua:143639 |
Serial |
4607 |
| Permanent link to this record |
| |
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| |
| Author |
Li, L.L.; Moldovan, D.; Xu, W.; Peeters, F.M. |
| Title |
Electric-and magnetic-field dependence of the electronic and optical properties of phosphorene quantum dots |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
| Volume |
28 |
Issue |
8 |
Pages |
085702 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Recently, black phosphorus quantum dots were fabricated experimentally. Motivated by these experiments, we theoretically investigate the electronic and optical properties of rectangular phosphorene quantum dots (RPQDs) in the presence of an in-plane electric field and a perpendicular magnetic field. The energy spectra and wave functions of RPQDs are obtained numerically using the tight-binding approach. We find edge states within the band gap of the RPQD which are well separated from the bulk states. In an undoped RPQD and for in-plane polarized light, due to the presence of well-defined edge states, we find three types of optical transitions which are between the bulk states, between the edge and bulk states, and between the edge states. The electric and magnetic fields influence the bulk-to-bulk, edge-to-bulk, and edge-to- edge transitions differently due to the different responses of bulk and edge states to these fields. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000403100700001 |
Publication Date |
2017-01-03 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.44 |
Times cited |
32 |
Open Access |
|
| Notes |
; This work was financially supported by the China Scholarship Council (CSC), the Flemish Science Foundation (FWO-Vl), the National Natural Science Foundation of China (Grant Nos. 11304316 and 11574319), and by the Chinese Academy of Sciences (CAS). ; |
Approved |
Most recent IF: 3.44 |
| Call Number |
UA @ lucian @ c:irua:144325 |
Serial |
4648 |
| Permanent link to this record |
| |
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| |
| Author |
Woo, S.Y.; Gauquelin, N.; Nguyen, H.P.T.; Mi, Z.; Botton, G.A. |
| Title |
Interplay of strain and indium incorporation in InGaN/GaN dot-in-a-wire nanostructures by scanning transmission electron microscopy |
Type |
A1 Journal article |
| Year |
2015 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
| Volume |
26 |
Issue |
26 |
Pages |
344002 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
The interplay between strain and composition is at the basis of heterostructure design to engineer new properties. The influence of the strain distribution on the incorporation of indium during the formation of multiple InGaN/GaN quantum dots (QDs) in nanowire (NW) heterostructures has been investigated, using the combined techniques of geometric phase analysis of atomic-resolution images and quantitative elemental mapping from core-loss electron energy-loss spectroscopy within scanning transmission electron microscopy. The variation in In-content between successive QDs within individual NWs shows a dependence on the magnitude of compressive strain along the growth direction within the underlying GaN barrier layer, which affects the incorporation of In-atoms to minimize the local effective strain energy. Observations suggest that the interfacial misfit between InGaN/GaN within the embedded QDs is mitigated by strain partitioning into both materials, and results in normal stresses inflicted by the presence of the surrounding GaN shell. These experimental measurements are linked to the local piezoelectric polarization fields for individual QDs, and are discussed in terms of the photoluminescence from an ensemble of NWs. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000359079500003 |
Publication Date |
2015-08-03 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.44 |
Times cited |
19 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.44; 2015 IF: 3.821 |
| Call Number |
UA @ lucian @ c:irua:136278 |
Serial |
4504 |
| Permanent link to this record |
| |
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| |
| Author |
Singh, V.; Mehta, B.R.; Sengar, S.K.; Karakulina, O.M.; Hadermann, J.; Kaushal, A. |
| Title |
Achieving independent control of core diameter and carbon shell thickness in Pd-C core–shell nanoparticles by gas phase synthesis |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
| Volume |
28 |
Issue |
29 |
Pages |
295603 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Pd-C core–shell nanoparticles with independently controllable core size and shell thickness are grown by gas phase synthesis. First, the core size is selected by electrical mobility values of charged particles, and second, the shell thickness is controlled by the concentration of carbon precursor gas. The carbon shell grows by adsorption of carbon precursor gas molecules on the surface of nanoparticles, followed by sintering. The presence of a carbon shell on Pd nanoparticles is potentially important in hydrogen-related applications operating at high temperatures or in catalytic reactions in acidic/aqueous environments. |
| 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 |
000404633200002 |
Publication Date |
2017-06-28 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.44 |
Times cited |
1 |
Open Access |
Not_Open_Access |
| Notes |
VS is thankful to the All India Council for Technical Education, India, for providing assistantship under its Quality Improvement Programme. BRM gratefully acknowledges the support of the Nanomission Programme of the Department of Science and Technology (DST), India and Schlumberger Chair Professorship. BRM would also like to acknowledge the support from the project funded by BRNS, DAE, India. |
Approved |
Most recent IF: 3.44 |
| Call Number |
EMAT @ emat @c:irua:144831 |
Serial |
4712 |
| Permanent link to this record |
| |
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| |
| Author |
Zhang, R.; Wu, Z.; Li, X.J.; Li, L.L.; Chen, Q.; Li, Y.-M.; Peeters, F.M. |
| Title |
Fano resonances in bilayer phosphorene nanoring |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
| Volume |
29 |
Issue |
21 |
Pages |
215202 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Tunable transport properties and Fano resonances are predicted in a circular bilayer phosphorene nanoring. The conductance exhibits Fano resonances with varying incident energy and applied perpendicular magnetic field. These Fano resonance peaks can be accurately fitted with the well known Fano curves. When a magnetic field is applied to the nanoring, the conductance oscillates periodically with magnetic field which is reminiscent of the Aharonov-Bohm effect. Fano resonances are tightly related to the discrete states in the central nanoring, some of which are tunable by the magnetic field. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Bristol |
Editor |
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| Language |
|
Wos |
000428920200001 |
Publication Date |
2018-03-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.44 |
Times cited |
4 |
Open Access |
|
| Notes |
; This work was supported by Grant No. 2017YFA0303400 from the National Key R&D Program of China, the Flemish Science Foundation, the grants No. 2016YFE0110000, No. 2015CB921503, and No. 2016YFA0202300 from the MOST of China, the NSFC (Grants Nos. 11504366, 11434010, 61674145 and 61774168) and CAS (Grants No. QYZDJ-SSW-SYS001). ; |
Approved |
Most recent IF: 3.44 |
| Call Number |
UA @ lucian @ c:irua:150713UA @ admin @ c:irua:150713 |
Serial |
4968 |
| Permanent link to this record |
| |
|
| |
| Author |
Aierken, Y.; Sevik, C.; Gulseren, O.; Peeters, F.M.; Çakir, D. |
| Title |
In pursuit of barrierless transition metal dichalcogenides lateral heterojunctions |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
| Volume |
29 |
Issue |
29 |
Pages |
295202 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
There is an increasing need to understand interfaces between two-dimensional materials to realize an energy efficient boundary with low contact resistance and small heat dissipation. In this respect, we investigated the impact of charge and substitutional atom doping on the electronic transport properties of the hybrid metallic-semiconducting lateral junctions, formed between metallic (1T and 1T(d)) and semiconducting (1H) phases of MoS2 by means of first-principles and non-equilibrium Green function formalism based calculations. Our results clearly revealed the strong influence of the type of interface and crystallographic orientation of the metallic phase on the transport properties of these systems. The Schottky barrier height, which is the dominant mechanism for contact resistance, was found to be as large as 0.63 eV and 1.19 eV for holes and electrons, respectively. We found that armchair interfaces are more conductive as compared to zigzag termination due to the presence of the metallic Mo zigzag chains that are directed along the transport direction. In order to manipulate these barrier heights we investigated the influence of electron doping of the metallic part (i.e. 1T(d) -MoS2). We observed that the Fermi level of the hybrid system moves towards the conduction band of semiconducting 1H-MoS2 due to filling of 4d-orbital of metallic MoS2, and thus the Schottky barrier for electrons decreases considerably. Besides electron doping, we also investigated the effect of substitutional doping of metallic MoS2 by replacing Mo atoms with either Re or Ta. Due to its valency, Re (Ta) behaves as a donor (acceptor) and reduces the Schottky barrier for electrons (holes). Since Re and Ta based transition metal dichalcogenides crystallize in either the 1T(d) or 1T phase, substitutional doping with these atom favors the stabilization of the 1T(d) phase of MoS2. Co-doping of hybrid structure results in an electronic structure, which facilities easy dissociation of excitons created in the 1H part. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Bristol |
Editor |
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| Language |
|
Wos |
000432823800002 |
Publication Date |
2018-05-01 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.44 |
Times cited |
4 |
Open Access |
|
| Notes |
; This work was supported by the bilateral project between the The Scientific and Technological Research Council of Turkey (TUBITAK) and FWO-Flanders, Flemish Science Foundation (FWO-VI) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRGrid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. We acknowledge the support from TUBITAK (Grant No. 115F024). ; |
Approved |
Most recent IF: 3.44 |
| Call Number |
UA @ lucian @ c:irua:151451UA @ admin @ c:irua:151451 |
Serial |
5029 |
| Permanent link to this record |
| |
|
| |
| Author |
Shah, N.A.; Li, L.L.; Mosallanejad, V.; Peeters, F.M.; Guo, G.-P. |
| Title |
Transport characteristics of multi-terminal pristine and defective phosphorene systems |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
| Volume |
30 |
Issue |
45 |
Pages |
455705 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Atomic vacancies and nanopores act as local scattering centers and modify the transport properties of charge carriers in phosphorene nanoribbons (PNRs). We investigate the influence of such atomic defects on the electronic transport of multi-terminal PNR. We use the non-equilibrium Green's function approach within the tight-binding framework to calculate the transmission coefficient and the conductance. Terminals induce band mixing resulting in oscillations in the conductance. In the presence of atomic vacancies and nanopores the conductance between non-axial terminals exhibit constructive scattering, which is in contrast to mono-axial two-terminal systems where the conductance exhibits destructive scattering. This can be understood from the spatial local density of states of the transport modes in the system. Our results provide fundamental insights into the electronic transport in PNR-based multi-terminal systems and into the ability of atomic defects and nanopores through tuning the transport properties. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000483049100001 |
Publication Date |
2019-08-07 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.44 |
Times cited |
8 |
Open Access |
|
| Notes |
; This work was supported by the National Key Research and Development Program of China (Grant No. 2016YFA0301700), the NNSFC (Grant No. 11625419), the Strategic Priority Research Program of the CAS (Grant Nos. XDB24030601 and XDB30000000), the Anhui initiative in Quantum information Technologies (Grants No. AHY080000), and the Flemish Science Foundation (FWO-Vl). This work was also supported by the Chinese Academy of Sciences and the World Academy of Science for the advancement of science in developing countries. ; |
Approved |
Most recent IF: 3.44 |
| Call Number |
UA @ admin @ c:irua:162760 |
Serial |
5429 |
| Permanent link to this record |
| |
|
| |
| Author |
Bafekry, A.; Shahrokhi, M.; Shafique, A.; Jappor, H.R.; Shojaei, F.; Feghhi, S.A.H.; Ghergherehchi, M.; Gogova, D. |
| Title |
Two-dimensional carbon nitride C₆N nanosheet with egg-comb-like structure and electronic properties of a semimetal |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
| Volume |
32 |
Issue |
21 |
Pages |
215702 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
In this study, the structural, electronic and optical properties of theoretically predicted C6N monolayer structure are investigated by means of Density Functional Theory-based First-Principles Calculations. Phonon band dispersion calculations and molecular dynamics simulations reveal the dynamical and thermal stability of the C6N single-layer structure. We found out that the C6N monolayer has large negative in-plane Poisson's ratios along both X and Y direction and the both values are almost four times that of the famous-pentagraphene. The electronic structure shows that C6N monolayer is a semi-metal and has a Dirac-point in the BZ. The optical analysis using the random phase approximation method constructed over HSE06 illustrates that the first peak of absorption coefficient of the C6N monolayer along all polarizations is located in the IR range of spectrum, while the second absorption peak occurs in the visible range, which suggests its potential applications in optical and electronic devices. Interestingly, optically anisotropic character of this system is highly desirable for the design of polarization-sensitive photodetectors. Thermoelectric properties such as Seebeck coefficient, electrical conductivity, electronic thermal conductivity and power factor are investigated as a function of carrier doping at temperatures 300, 400, and 500 K. In general, we predict that the C6N monolayer could be a new platform for study of novel physical properties in two-dimensional semi-metal materials, which may provide new opportunities to realize high-speed low-dissipation devices. |
| Address |
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| Corporate Author |
|
Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000624531500001 |
Publication Date |
2020-12-18 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.44 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 3.44 |
| Call Number |
UA @ admin @ c:irua:176648 |
Serial |
6740 |
| Permanent link to this record |
| |
|
| |
| Author |
Osca, J.; Moors, K.; Sorée, B.; Serra, L. |
| Title |
Fabry-Perot interferometry with gate-tunable 3D topological insulator nanowires |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
| Volume |
32 |
Issue |
43 |
Pages |
435002 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Three-dimensional topological insulator (3D TI) nanowires display remarkable magnetotransport properties that can be attributed to their spin-momentum-locked surface states such as quasiballistic transport and Aharonov-Bohm oscillations. Here, we focus on the transport properties of a 3D TI nanowire with a gated section that forms an electronic Fabry-Perot (FP) interferometer that can be tuned to act as a surface-state filter or energy barrier. By tuning the carrier density and length of the gated section of the wire, the interference pattern can be controlled and the nanowire can become fully transparent for certain topological surface-state input modes while completely filtering out others. We also consider the interplay of FP interference with an external magnetic field, with which Klein tunneling can be induced, and transverse asymmetry of the gated section, e.g. due to a top-gated structure, which displays an interesting analogy with Rashba nanowires. Due to its rich conductance phenomenology, we propose a 3D TI nanowire with gated section as an ideal setup for a detailed transport-based characterization of 3D TI nanowire surface states near the Dirac point, which could be useful towards realizing 3D TI nanowire-based topological superconductivity and Majorana bound states. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000682173800001 |
Publication Date |
2021-07-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.44 |
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 3.44 |
| Call Number |
UA @ admin @ c:irua:180487 |
Serial |
6990 |
| Permanent link to this record |
| |
|
| |
| Author |
Huyskens, C.; De Wever, H.; Fovet, Y.; Wegmann, U.; Diels, L.; Lenaerts, S. |
| Title |
Screening of novel MBR fouling reducers : benchmarking with known fouling reducers and evaluation of their mechanism of action |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Separation and purification technology |
Abbreviated Journal |
Sep Purif Technol |
| Volume |
95 |
Issue |
|
Pages |
49-57 |
| Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
A novel fouling characterization method was applied for a first screening of two novel synthetic flocculants developed by BASF (BASF-1 and BASF-2) and benchmarking with six well-known products. Results showed that this MBR-VITO Fouling Measurement (VFM) was able to identify beneficial and adverse effects of different additives on the mixed liquor's reversible and irreversible fouling and, in combination with supporting mixed liquor analyses, allowed to identify the additive's main working mechanism. The first screening tests indicated that BASF-1 and BASF-2 reduced reversible and irreversible fouling to a similar extent as the known synthetic flocculants due to a charge neutralization mechanism, resulting in enhanced flocculation and SMP removal. Further testing at different additive concentrations provided a first indication of the optimal dosage and revealed a considerable risk of overdosing for BASF-2, rendering it less suited for fouling control. In contrast, such adverse effects were not observed for BASF-1. BASF-1 induced similar beneficial effects as the known MPE50 polymer at lower dosage and was therefore considered promising for application in MBRs. (C) 2012 Elsevier B.V. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000307032100008 |
Publication Date |
2012-04-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1383-5866 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.359 |
Times cited |
24 |
Open Access |
|
| Notes |
; The authors would like to thank K. Luyckx, J. Fret, L. Heylen, R. Muyshondt, H. Sterckx, J. Verheyden and J. Vande-Velden for technical assistance and V. Iversen for kindly supplying some of the commercial additives. Celine Huyskens is indebted to the Research Foundation-Flanders (FWO). The European Commission is acknowledged for financial support to Aquafit4use (FP7, Grant 211534). ; |
Approved |
Most recent IF: 3.359; 2012 IF: 2.894 |
| Call Number |
UA @ admin @ c:irua:101903 |
Serial |
5990 |
| Permanent link to this record |
| |
|
| |
| Author |
Huyskens, C.; Lenaerts, S.; Brauns, E.; Diels, L.; de Wever, H. |
| Title |
Study of (ir)reversible fouling in MBRs under various operating conditions using new on-line fouling sensor |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Separation and purification technology |
Abbreviated Journal |
Sep Purif Technol |
| Volume |
81 |
Issue |
2 |
Pages |
208-215 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
In this study, a new fouling sensor was validated under different conditions of hydraulic (HRT) and sludge retention time (SRT). The MBR-VFM (membrane bioreactor-VITO Fouling Measurement) allows the simultaneous determination of the physically reversible and irreversible fouling potential of a mixed liquor during a single crossflow filtration test. In accordance with the on-line filtration behavior, the measured reversible and irreversible fouling propensities differed significantly between MBRs operated at different combinations of HRT-SRT. Moreover, a significant negative correlation was found between the on-line permeability and the reversible and irreversible fouling propensity measured by the MBR-VFM. This corresponded to observations made on membrane recovery after physical or chemical cleaning actions. Higher reversible and irreversible fouling were observed at lower HRT, presumably as a consequence of increased concentrations of foulants present. The effect of SRT was much smaller and restricted to the reversible fouling component. Possible explanations for the increased fouling at prolonged SRT are the higher sludge and colloid concentration and the smaller floc size. It can be concluded that the MBR-VFM is a useful tool to monitor fluctuations in a mixed liquors (ir)reversible fouling potential and can contribute to a deeper understanding of the occurring fouling phenomena. |
| Address |
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| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000296108500012 |
Publication Date |
2011-08-01 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1383-5866 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.359 |
Times cited |
15 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 3.359; 2011 IF: 2.921 |
| Call Number |
UA @ admin @ c:irua:93410 |
Serial |
5992 |
| Permanent link to this record |
| |
|
| |
| Author |
Blommaerts, N.; Dingenen, F.; Middelkoop, V.; Savelkouls, J.; Goemans, M.; Tytgat, T.; Verbruggen, S.W.; Lenaerts, S. |
| Title |
Ultrafast screening of commercial sorbent materials for VOC adsorption using real-time FTIR spectroscopy |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
Separation and purification technology |
Abbreviated Journal |
Sep Purif Technol |
| Volume |
207 |
Issue |
207 |
Pages |
284-290 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Recovery of valuable volatile organic compounds (VOCs) from waste streams is of great industrial importance. Adsorption on zeolites offers an economically and environmentally friendly alternative to conventional activated carbon. When evaluating the suitability of a given zeolite for a particular adsorption application, its adsorption capacity has to be determined. This is traditionally achieved using gas chromatography as an analysis tool, yielding only a few discrete sampling points that constitute the adsorption profile. Meanwhile, only low flow rates and low concentrations of volatile organics can be used, rendering the procedure troublesome and time consuming. Herein, we propose a tool for the fast screening of a large amount of zeolites using on-line and quasi real-time Fourier Transform Infrared Spectroscopy (FTIR). The technique was used to determine the adsorption capacity of three different commercial zeolites and two silica gels, for five industrially relevant VOCs: acetone; methanol; isohexane; isopentane; and toluene. A series of rapid measurements of the individual adsorption capacities were carried out to obtain a detailed overview of the versatility of the proposed method for the characterization of multi-component and multi-sorption bed systems. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000445987500032 |
Publication Date |
2018-06-27 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1383-5866 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.359 |
Times cited |
5 |
Open Access |
|
| Notes |
; We would like to thank Vlaams Agenschap Innoveren & Ondernemen (VLAIO) for financial support. The authors would also like to thank Kureha GmbH, Germany for kindly supplying us with their BAC (R) (bead-shaped activated carbon) samples. ; |
Approved |
Most recent IF: 3.359 |
| Call Number |
UA @ admin @ c:irua:154694 |
Serial |
6000 |
| Permanent link to this record |
| |
|
| |
| Author |
Kolev, S.; Bogaerts, A. |
| Title |
A 2D model for a gliding arc discharge |
Type |
A1 Journal article |
| Year |
2015 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
| Volume |
24 |
Issue |
24 |
Pages |
015025 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
In this study we report on a 2D fluid model of a gliding arc discharge in argon. Despite the 3D nature of the discharge, 2D models are found to be capable of providing very useful information about the operation of the discharge. We employ two modelsan axisymmetric and a Cartesian one. We show that for the considered experiment and the conditions of a low current arc (around 30 mA) in argon, there is no significant heating of the cathode surface and the discharge is sustained by field electron emission from the cathode accompanied by the formation of a cathode spot. The obtained discharge power and voltage are relatively sensitive to the surface properties and particularly to the surface roughness, causing effectively an amplification of the normal electric field. The arc body and anode region are not influenced by this and depend mainly on the current value. The gliding of the arc is modelled by means of a 2D Cartesian model. The arcelectrode contact points are analysed and the gliding mechanism along the electrode surface is discussed. Following experimental observations, the cathode spot is simulated as jumping from one point to another. A complete arc cycle is modelled from initial ignition to arc decay. The results show that there is no interaction between the successive gliding arcs. |
| Address |
|
| Corporate Author |
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Thesis |
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| Publisher |
Institute of Physics |
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000348298200026 |
Publication Date |
2014-12-23 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0963-0252;1361-6595; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.302 |
Times cited |
34 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.302; 2015 IF: 3.591 |
| Call Number |
c:irua:122538 c:irua:122538 c:irua:122538 c:irua:122538 |
Serial |
3 |
| Permanent link to this record |
| |
|
| |
| Author |
Bultinck, E.; Bogaerts, A. |
| Title |
Characterization of an Ar/O2 magnetron plasma by a multi-species Monte Carlo model |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
| Volume |
20 |
Issue |
4 |
Pages |
045013-045013,12 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
A combined Monte Carlo (MC)/analytical surface model is developed to study the plasma processes occurring during the reactive sputter deposition of TiOx thin films. This model describes the important plasma species with a MC approach (i.e. electrons, Ar+ ions, {\rm O}_2 |
| 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 |
|
| Language |
|
Wos |
000295829800015 |
Publication Date |
2011-06-14 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0963-0252;1361-6595; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.302 |
Times cited |
7 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.302; 2011 IF: 2.521 |
| Call Number |
UA @ lucian @ c:irua:89732 |
Serial |
316 |
| Permanent link to this record |
| |
|
| |
| Author |
Bogaerts, A. |
| Title |
Comprehensive modelling network for dc glow discharges in argon |
Type |
A1 Journal article |
| Year |
1999 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
| Volume |
8 |
Issue |
|
Pages |
210-229 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Institute of Physics |
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000080660600004 |
Publication Date |
2002-08-25 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0963-0252;1361-6595; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.302 |
Times cited |
27 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.302; 1999 IF: 2.038 |
| Call Number |
UA @ lucian @ c:irua:24129 |
Serial |
451 |
| Permanent link to this record |
| |
|
| |
| Author |
Tinck, S.; Bogaerts, A. |
| Title |
Computer simulations of an oxygen inductively coupled plasma used for plasma-assisted atomic layer deposition |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
| Volume |
20 |
Issue |
1 |
Pages |
015008-015008,10 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
In this paper, an O2 inductively coupled plasma used for plasma enhanced atomic layer deposition of Al2O3 thin films is investigated by means of modeling. This work intends to provide more information about basic plasma properties such as species densities and species fluxes to the substrate as a function of power and pressure, which might be hard to measure experimentally. For this purpose, a hybrid model developed by Kushner et al is applied to calculate the plasma characteristics in the reactor volume for different chamber pressures ranging from 1 to 10 mTorr and different coil powers ranging from 50 to 500 W. Density profiles of the various oxygen containing plasma species are reported as well as fluxes to the substrate under various operating conditions. Furthermore, different orientations of the substrate, which can be placed vertically or horizontally in the reactor, are taken into account. In addition, special attention is paid to the recombination process of atomic oxygen on the different reactor walls under the stated operating conditions. From this work it can be concluded that the plasma properties change significantly in different locations of the reactor. The plasma density near the cylindrical coil is high, while it is almost negligible in the neighborhood of the substrate. Ion and excited species fluxes to the substrate are found to be very low and negligible. Finally, the orientation of the substrate has a minor effect on the flux of O2, while it has a significant effect on the flux of O. In the horizontal configuration, the flux of atomic oxygen can be up to one order of magnitude lower than in the vertical configuration. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Institute of Physics |
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000286592200009 |
Publication Date |
2011-01-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0963-0252;1361-6595; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.302 |
Times cited |
11 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.302; 2011 IF: 2.521 |
| Call Number |
UA @ lucian @ c:irua:85285 |
Serial |
467 |
| Permanent link to this record |
| |
|
| |
| Author |
Paulussen, S.; Verheyde, B.; Tu, X.; De Bie, C.; Martens, T.; Petrovic, D.; Bogaerts, A.; Sels, B. |
| Title |
Conversion of carbon dioxide to value-added chemicals in atmospheric pressure dielectric barrier discharges |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
| Volume |
19 |
Issue |
3 |
Pages |
034015,1-034015,6 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The aim of this work consists of the evaluation of atmospheric pressure dielectric barrier discharges for the conversion of greenhouse gases into useful compounds. Therefore, pure CO2 feed flows are administered to the discharge zone at varying discharge frequency, power input, gas temperature and feed flow rates, aiming at the formation of CO and O2. The discharge obtained in CO2 is characterized as a filamentary mode with a microdischarge zone in each half cycle of the applied voltage. It is shown that the most important parameter affecting the CO2-conversion levels is the gas flow rate. At low flow rates, both the conversion and the CO-yield are significantly higher. In addition, also an increase in the gas temperature and the power input give rise to higher conversion levels, although the effect on the CO-yield is limited. The optimum discharge frequency depends on the power input level and it cannot be unambiguously stated that higher frequencies give rise to increased conversion levels. A maximum CO2 conversion of 30% is achieved at a flow rate of 0.05 L min−1, a power density of 14.75 W cm−3 and a frequency of 60 kHz. The most energy efficient conversions are achieved at a flow rate of 0.2 L min−1, a power density of 11 W cm−3 and a discharge frequency of 30 kHz. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Institute of Physics |
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000277982800016 |
Publication Date |
2010-05-22 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0963-0252;1361-6595; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.302 |
Times cited |
116 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.302; 2010 IF: 2.218 |
| Call Number |
UA @ lucian @ c:irua:82408 |
Serial |
512 |
| Permanent link to this record |
| |
|
| |
| Author |
De Bie, C.; Martens, T.; van Dijk, J.; Paulussen, S.; Verheyde, B.; Corthals, S.; Bogaerts, A. |
| Title |
Dielectric barrier discharges used for the conversion of greenhouse gases: modeling the plasma chemistry by fluid simulations |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
| Volume |
20 |
Issue |
2 |
Pages |
024008,1-024008,11 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The conversion of methane to value-added chemicals and fuels is considered to be one of the challenges of the 21st century. In this paper we study, by means of fluid modeling, the conversion of methane to higher hydrocarbons or oxygenates by partial oxidation with CO2 or O2 in a dielectric barrier discharge. Sixty-nine different plasma species (electrons, ions, molecules, radicals) are included in the model, as well as a comprehensive set of chemical reactions. The calculation results presented in this paper include the conversion of the reactants and the yields of the reaction products as a function of residence time in the reactor, for different gas mixing ratios. Syngas (i.e. H2 + CO) and higher hydrocarbons (C2Hx) are typically found to be important reaction products. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Institute of Physics |
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000290719900009 |
Publication Date |
2011-04-02 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0963-0252;1361-6595; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.302 |
Times cited |
38 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.302; 2011 IF: 2.521 |
| Call Number |
UA @ lucian @ c:irua:87868 |
Serial |
689 |
| Permanent link to this record |
| |
|
| |
| Author |
Peerenboom, K.; Parente, A.; Kozák, T.; Bogaerts, A.; Degrez, G. |
| Title |
Dimension reduction of non-equilibrium plasma kinetic models using principal component analysis |
Type |
A1 Journal article |
| Year |
2015 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
| Volume |
24 |
Issue |
24 |
Pages |
025004 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The chemical complexity of non-equilibrium plasmas poses a challenge for plasma modeling because of the computational load. This paper presents a dimension reduction method for such chemically complex plasmas based on principal component analysis (PCA). PCA is used to identify a low-dimensional manifold in chemical state space that is described by a small number of parameters: the principal components. Reduction is obtained since continuity equations only need to be solved for these principal components and not for all the species. Application of the presented method to a CO2 plasma model including state-to-state vibrational kinetics of CO2 and CO demonstrates the potential of the PCA method for dimension reduction. A manifold described by only two principal components is able to predict the CO2 to CO conversion at varying ionization degrees very accurately. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Institute of Physics |
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000356816200008 |
Publication Date |
2015-01-27 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0963-0252;1361-6595; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.302 |
Times cited |
11 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.302; 2015 IF: 3.591 |
| Call Number |
c:irua:123534 |
Serial |
704 |
| Permanent link to this record |
| |
|
| |
| Author |
Zhao, S.-X.; Gao, F.; Wang, Y.-N.; Bogaerts, A. |
| Title |
The effect of F2 attachment by low-energy electrons on the electron behaviour in an Ar/CF4 inductively coupled plasma |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
| Volume |
21 |
Issue |
2 |
Pages |
025008-025008,13 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The electron behaviour in an Ar/CF4 inductively coupled plasma is investigated by a Langmuir probe and a hybrid model. The simulated and measured results include electron density, temperature and electron energy distribution function for different values of Ar/CF4 ratio, coil power and gas pressure. The hybrid plasma equipment model simulations show qualitative agreement with experiment. The effect of F2 electron attachment on the electron behaviour is explored by comparing two sets of data based on different F atom boundary conditions. It is demonstrated that electron attachment at F2 molecules is responsible for the depletion of low-energy electrons, causing a density decrease as well as a temperature increase when CF4 is added to an Ar plasma. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Institute of Physics |
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000302779400022 |
Publication Date |
2012-03-12 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0963-0252;1361-6595; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.302 |
Times cited |
23 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.302; 2012 IF: 2.515 |
| Call Number |
UA @ lucian @ c:irua:96549 |
Serial |
841 |
| Permanent link to this record |
| |
|
| |
| Author |
Liu, Y.-X.; Zhang, Q.-Z.; Liu, L.; Song, Y.-H.; Bogaerts, A.; Wang, Y.-N. |
| Title |
Electron bounce resonance heating in dual-frequency capacitively coupled oxygen discharges |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
| Volume |
22 |
Issue |
2 |
Pages |
025012-11 |
| 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 is studied by different experimental methods and a particle-in-cell/Monte Carlo collision (PIC/MCC) simulation, and compared with the electropositive argon discharge. In comparison with argon, the experimental results show that in an oxygen discharge the resonance peaks in positive-ion density and light intensity tend to occur at larger electrode gaps. Moreover, at electrode gaps L > 2.5 cm, the positive-ion (and electron) density and the light emission drop monotonically in the oxygen discharge upon increasing L, whereas they rise (after an initial drop) in the argon case. At resonance gap the electronegativity reaches its maximum due to the BRH. All these experimental observations are explained by PIC/MCC simulations, which show 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 resonance electrons when traversing the bulk, resulting in a suppressed BRH. Both experiment and simulation results show that this effect becomes more pronounced at lower high-frequency power, when the discharge mode changes from electropositive to electronegative. In a pure oxygen discharge, the BRH is suppressed with increasing pressure and almost diminishes at 12 Pa. Finally, the driving frequency significantly affects the BRH, because it determines the phase relation between bulk electric field and sheath electric field. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Institute of Physics |
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000317275400014 |
Publication Date |
2013-03-18 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0963-0252;1361-6595; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.302 |
Times cited |
20 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.302; 2013 IF: 3.056 |
| Call Number |
UA @ lucian @ c:irua:106534 |
Serial |
911 |
| Permanent link to this record |
| |
|
| |
| Author |
Yan, M.; Bogaerts, A.; Goedheer, W.J.; Gijbels, R. |
| Title |
Electron energy distribution function in capacitively coupled RF discharges: differences between electropositive Ar and electronegative SiH4 discharges |
Type |
A1 Journal article |
| Year |
2000 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
| Volume |
9 |
Issue |
|
Pages |
583-591 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Institute of Physics |
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000165341000015 |
Publication Date |
2002-08-25 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0963-0252;1361-6595; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.302 |
Times cited |
21 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.302; 2000 IF: 1.963 |
| Call Number |
UA @ lucian @ c:irua:34071 |
Serial |
929 |
| Permanent link to this record |
| |
|
| |
| Author |
Van Laer, K.; Tinck, S.; Samara, V.; de Marneffe, J.F.; Bogaerts, A. |
| Title |
Etching of low-k materials for microelectronics applications by means of a N2/H2 plasma : modeling and experimental investigation |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
| Volume |
22 |
Issue |
2 |
Pages |
025011-25019 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
In this paper, we investigate the etch process of so-called low-k organic material by means of a N2/H2 capacitively coupled plasma, as applied in the micro-electronics industry for the manufacturing of computer chips. In recent years, such an organic material has emerged as a possible alternative for replacing bulk SiO2 as a dielectric material in the back-end-of-line, because of the smaller parasitic capacity between adjacent conducting lines, and thus a faster propagation of the electrical signals throughout the chip. Numerical simulations with a hybrid plasma model, using an extensive plasma and surface chemistry set, as well as experiments are performed, focusing on the plasma properties as well as the actual etching process, to obtain a better insight into the underlying mechanisms. Furthermore, the effects of gas pressure, applied power and gas composition are investigated to try to optimize the etch process. In general, the plasma density reaches a maximum near the wafer edge due to the so-called 'edge effect'. As a result, the etch rate is not uniform but will also reach its maximum near the wafer edge. The pressure seems not to have a big effect. A higher power increases the etch rate, but the uniformity becomes (slightly) worse. The gas mixing ratio has no significant effect on the etch process, except when a pure H2 or N2 plasma is used, illustrating the synergistic effects of a N2/H2 plasma. In fact, our calculations reveal that the N2/H2 plasma entails an ion-enhanced etch process. The simulation results are in reasonable agreement with the experimental values. The microscopic etch profile shows the desired anisotropic shape under all conditions under study. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Institute of Physics |
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000317275400013 |
Publication Date |
2013-03-18 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0963-0252;1361-6595; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.302 |
Times cited |
13 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.302; 2013 IF: 3.056 |
| Call Number |
UA @ lucian @ c:irua:106654 |
Serial |
1084 |
| Permanent link to this record |
| |
|
| |
| Author |
Kozák, T.; Bogaerts, A. |
| Title |
Evaluation of the energy efficiency of CO2 conversion in microwave discharges using a reaction kinetics model |
Type |
A1 Journal article |
| Year |
2015 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
| Volume |
24 |
Issue |
24 |
Pages |
015024 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
We use a zero-dimensional reaction kinetics model to simulate CO2 conversion in microwave discharges where the excitation of the vibrational levels plays a significant role in the dissociation kinetics. The model includes a description of the CO2 vibrational kinetics, taking into account state-specific VT and VV relaxation reactions and the effect of vibrational excitation on other chemical reactions. The model is used to simulate a general tubular microwave reactor, where a stream of CO2 flows through a plasma column generated by microwave radiation. We study the effects of the internal plasma parameters, namely the reduced electric field, electron density and the total specific energy input, on the CO2 conversion and its energy efficiency. We report the highest energy efficiency (up to 30%) for a specific energy input in the range 0.41.0 eV/molecule and a reduced electric field in the range 50100 Td and for high values of the electron density (an ionization degree greater than 10−5). The energy efficiency is mainly limited by the VT relaxation which contributes dominantly to the vibrational energy losses and also contributes significantly to the heating of the reacting gas. The model analysis provides useful insight into the potential and limitations of CO2 conversion in microwave discharges. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Institute of Physics |
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000348298200025 |
Publication Date |
2014-12-23 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0963-0252;1361-6595; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.302 |
Times cited |
100 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.302; 2015 IF: 3.591 |
| Call Number |
c:irua:122243 |
Serial |
1087 |
| Permanent link to this record |
| |
|
| |
| Author |
Zhao, S.-X.; Gao, F.; Wang, Y.-N.; Bogaerts, A. |
| Title |
Gas ratio effects on the Si etch rate and profile uniformity in an inductively coupled Ar/CF4 plasma |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
| Volume |
22 |
Issue |
1 |
Pages |
015017-15018 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
In this work, a hybrid model is used to investigate the effect of different gas ratios on the Si etching and polymer film deposition characteristics in an Ar/CF4 inductively coupled plasma. The influence of the surface processes on the bulk plasma properties is studied, and also the spatial characteristics of important gas phase and etched species. The densities of F and CF2 decrease when the surface module is included in the simulations, due to the species consumption caused by etching and polymer deposition. The influence of the surface processes on the bulk plasma depends on the Ar/CF4 gas ratio. The deposited polymer becomes thicker at high CF4 content because of more abundant CFx radicals. As a result of the competition between the polymer thickness and the F flux, the etch rate first increases and then decreases upon increasing the CF4 content. The electron properties, more specifically the electron density profile, affect the Si etch characteristics substantially by determining the radical density and flux profiles. In fact, the radial profile of the etch rate is more uniform at low CF4 content since the electron density has a smooth distribution. At high CF4 content, the etch rate is less uniform with a minimum halfway along the wafer radius, because the electron density distribution is more localized. Therefore, our calculations predict that it is better to work at relatively high Ar/CF4 gas ratios, in order to obtain high etch rate and good profile uniformity for etch applications. This, in fact, corresponds to the typical experimental etch conditions in Ar/CF4 gas mixtures as found in the literature, where Ar is typically present at a much higher concentration than CF4. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Institute of Physics |
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000314966300022 |
Publication Date |
2012-12-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0963-0252;1361-6595; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.302 |
Times cited |
11 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.302; 2013 IF: 3.056 |
| Call Number |
UA @ lucian @ c:irua:102583 |
Serial |
1320 |
| Permanent link to this record |
