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Author |
Mabesoone, J.M.; Duarte, P.J.; Van Grieken, R.; Delgao, A.; Freire, E.M.P. |
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Title |
Geoquimica dos microclasticos da Bacio do Parnaiba |
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H3 Book chapter |
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Year |
1985 |
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30-31
T2 - Fanerozoico Nordestino : serie D |
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H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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no |
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Call Number |
UA @ admin @ c:irua:117502 |
Serial |
8001 |
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Author |
Peeters, F.M.; Kong, M.; Partoens, B. |
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Title |
Geometry induced defects in a confined Wigner lattice |
Type |
P1 Proceeding |
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Year |
2002 |
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Abbreviated Journal |
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Pages |
192-195 |
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P1 Proceeding; Condensed Matter Theory (CMT) |
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s.l. |
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0000-00-00 |
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UA library record; WoS full record; WoS citing articles |
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Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:62449 |
Serial |
1333 |
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Author |
Van der Paal, J. |
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Title |
Generation, transport and molecular interactions of reactive species in plasma medicine |
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Doctoral thesis |
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Year |
2019 |
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Abbreviated Journal |
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237 p. |
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Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Call Number |
UA @ admin @ c:irua:162591 |
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6297 |
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Author |
Zhang, Z.; Lobato, I.; Brown, H.; Jannis, D.; Verbeeck, J.; Van Aert, S.; Nellist, P. |
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Title |
Generalised oscillator strength for core-shell electron excitation by fast electrons based on Dirac solutions |
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Dataset |
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Year |
2023 |
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Dataset; Electron microscopy for materials research (EMAT) |
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Abstract |
Inelastic excitation as exploited in Electron Energy Loss Spectroscopy (EELS) contains a rich source of information that is revealed in the scattering process. To accurately quantify core-loss EELS, it is common practice to fit the observed spectrum with scattering cross-sections calculated using experimental parameters and a Generalized Oscillator Strength (GOS) database [1]. The GOS is computed using Fermi’s Golden Rule and orbitals of bound and excited states. Previously, the GOS was based on Hartree-Fock solutions [2], but more recently Density Functional Theory (DFT) has been used [3]. In this work, we have chosen to use the Dirac equation to incorporate relativistic effects and have performed calculations using Flexible Atomic Code (FAC) [4]. This repository contains a tabulated GOS database based on Dirac solutions for computing double differential cross-sections under experimental conditions. We hope the Dirac-based GOS database can benefit the EELS community for both academic use and industry integration. Database Details: – Covers all elements (Z: 1-108) and all edges – Large energy range: 0.01 – 4000 eV – Large momentum range: 0.05 -50 Å-1 – Fine log sampling: 128 points for energy and 256 points for momentum – Data format: GOSH [3] Calculation Details: – Single atoms only; solid-state effects are not considered – Unoccupied states before continuum states of ionization are not considered; no fine structure – Plane Wave Born Approximation – Frozen Core Approximation is employed; electrostatic potential remains unchanged for orthogonal states when – core-shell electron is excited – Self-consistent Dirac–Fock–Slater iteration is used for Dirac calculations; Local Density Approximation is assumed for electron exchange interactions; continuum states are normalized against asymptotic form at large distances – Both large and small component contributions of Dirac solutions are included in GOS – Final state contributions are included until the contribution of the previous three states falls below 0.1%. A convergence log is provided for reference. Version 1.1 release note: – Update to be consistent with GOSH data format [3], all the edges are now within a single hdf5 file. A notable change in particular, the sampling in momentum is in 1/m, instead of previously in 1/Å. Great thanks to Gulio Guzzinati for his suggestions and sending conversion script. Version 1.2 release note: – Add “File Type / File version” information [1] Verbeeck, J., and S. Van Aert. Ultramicroscopy 101.2-4 (2004): 207-224. [2] Leapman, R. D., P. Rez, and D. F. Mayers. The Journal of Chemical Physics 72.2 (1980): 1232-1243. [3] Segger, L, Guzzinati, G, & Kohl, H. Zenodo (2023). doi:10.5281/zenodo.7645765 [4] Gu, M. F. Canadian Journal of Physics 86(5) (2008): 675-689. |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:203392 |
Serial |
9042 |
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Author |
Van Grieken, R.; Eyckmans, K. |
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Title |
Geen vuiltje aan de Noordzeelucht: aërosolen kennen geen grenzen |
Type |
P3 Proceeding |
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Year |
2001 |
Publication |
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Abbreviated Journal |
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Keywords |
P3 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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no |
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Call Number |
UA @ admin @ c:irua:36094 |
Serial |
7990 |
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Author |
Adams, F.; Janssens, K. |
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Title |
Future of m-XRF |
Type |
H3 Book chapter |
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Year |
2000 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
370-390 |
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Keywords |
H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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UA library record |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:27580 |
Serial |
5631 |
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Permanent link to this record |
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Author |
van Straaten, M.; Gijbels, R. |
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Title |
Fundamental aspects of an analytical glow discharge |
Type |
H3 Book chapter |
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Year |
1993 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
130-139 |
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Keywords |
H3 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Publisher |
Royal Society of Chemistry |
Place of Publication |
Cambridge |
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Wos |
A1993BY94U00015 |
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0000-00-00 |
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CHEMISTRY, PHYSICAL 77/144 Q3 # MATHEMATICS, INTERDISCIPLINARY 19/101 Q1 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 17/35 Q2 # |
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Call Number |
UA @ lucian @ c:irua:6166 |
Serial |
1309 |
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Permanent link to this record |
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Author |
Charlier, E.; Gijbels, R.; Van Doorselaer, M.; De Keyzer, R. |
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Title |
Functioning of thiocyanate ions during sulphur and sulphur-plus-gold Sensitization |
Type |
P1 Proceeding |
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Year |
2000 |
Publication |
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Abbreviated Journal |
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Volume |
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Pages |
172-176 |
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Keywords |
P1 Proceeding; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Not much about the effect of thiocyanate addition on the sulphur ripening is known, although it is used for many applications in photographic practice. Via a combination of tracer analysis and diffuse reflectance spectroscopy the effect of thiocyanate addition on the sulphur and sulphur-plus-gold ripening could be unveiled. When thiocyanate is added prior to the sulphur addition, it appears to rearrange the silver halide surface in such way that the sulphur deposition rate is enhanced, but the supply of interstitials is limited. Addition of thiocyanate after the sulphur reaction results in the formation of thiocyanate complexes with silver, from which a silver ion is more easily deposited in a surface cell of the silver sulphide clusters thus enhancing the sensitization rate. For sulphur-plus-gold sensitized emulsions it was observed that part of the gold ions could be removed out of the Ag2-xAuxS clusters by addition of thiocyanate ions and subsequent washing. Hence, it was concluded that two different types of gold ions are present in the silver sulphide clusters; 1. gold ions which are substitutional for silver (bound between sulphur and bromide ions) 2. gold ions which bridge two or three sulphur atoms. Incorporation of gold ions into silver sulphide clusters suppresses their optical absorption in diffuse reflectance spectroscopy. Since the optical absorption at 505 nm can completely be restored by addition of thiocyanate, it is assumed that the entity absorbing at this wavelength is a monomer of silver sulphide. |
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Soc. imaging science technology |
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Springfield |
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000183315900047 |
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0000-00-00 |
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0-89208-229-1 |
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Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:95775 |
Serial |
1307 |
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Author |
Khaletskaya, K. |
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Title |
Functional metal-organic frameworks : from bulk to surface engineered properties |
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Doctoral thesis |
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2014 |
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Abbreviated Journal |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Antwerpen |
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0000-00-00 |
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Call Number |
UA @ lucian @ c:irua:123904 |
Serial |
1301 |
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Author |
de Backer, J.; Vanderveken, O.; Vos, W.; Devolder, A.; Verhulst, S.; Verbraecken, J. |
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Title |
Functional imaging to predict treatment success of mandibular advancement devices in sleep-disordered breathing |
Type |
H3 Book chapter |
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Year |
2008 |
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Abbreviated Journal |
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141-155 |
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Keywords |
H3 Book chapter; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP); Translational Neurosciences (TNW) |
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Antwerpen |
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0000-00-00 |
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Call Number |
UA @ lucian @ c:irua:72885 |
Serial |
1298 |
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Author |
Ke, X. |
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Title |
From top-down to bottom-up : from carbon nanotubes to nanodevices |
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Doctoral thesis |
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2010 |
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Abbreviated Journal |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Antwerpen |
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0000-00-00 |
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Call Number |
UA @ lucian @ c:irua:87408 |
Serial |
1289 |
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Author |
Ricci, P.E.; Gielis, J. |
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Title |
From Pythagoras to Fourier and from geometry to nature |
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MA3 Book as author |
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2022 |
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Abbreviated Journal |
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146 p. |
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MA3 Book as author; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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2022-03-23 |
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978-90-832323-0-0; 978-90-832323-1-7 |
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Call Number |
UA @ admin @ c:irua:186730 |
Serial |
7166 |
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Author |
Shi, H. |
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Title |
From functional properties to micro/nano-structures : a TEM study of NiTiNb shape memory alloys |
Type |
Doctoral thesis |
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Year |
2014 |
Publication |
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Abbreviated Journal |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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0000-00-00 |
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Call Number |
UA @ lucian @ c:irua:116623 |
Serial |
1281 |
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Author |
Tan, H. |
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Title |
From EELS to oxidation state mapping : an investigation into oxidation state mapping of transition metals with electron energy-loss spectroscopy |
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Doctoral thesis |
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Year |
2012 |
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Abbreviated Journal |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Antwerpen |
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0000-00-00 |
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Call Number |
UA @ lucian @ c:irua:96030 |
Serial |
1280 |
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Author |
Han, M.; De Clippeleir, H.; Al-Omari, A.; Vlaeminck, S.E.; Wett, B.; Murthy, S. |
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Title |
Free ammonia and/or temperature impact study on temperature-acclimated mainstream nitrification sludge |
Type |
P3 Proceeding |
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Year |
2016 |
Publication |
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Abbreviated Journal |
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Volume |
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Pages |
3 p.
T2 - WEF/IWA Nutrient Removal and Recovery Co |
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Keywords |
P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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no |
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Call Number |
UA @ admin @ c:irua:151134 |
Serial |
7984 |
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Permanent link to this record |
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Author |
Huyskens, C. |
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Title |
Fouling in submerged membrane bioreactors |
Type |
Doctoral thesis |
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Year |
2012 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
198 p. |
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Keywords |
Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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ISBN |
978-90-5728-374-1 |
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no |
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Call Number |
UA @ admin @ c:irua:99492 |
Serial |
7980 |
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Author |
Kollarahithlu, S.C.; Sathiyamoorthy, S.; Thiruvottriyur Shanmugam, S.; De Wael, K.; Das, J.; Veluswamy, P. |
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Title |
Foodborne outbreaks : sources and mode of transmission of foodborne pathogenic microorganisms |
Type |
H1 Book chapter |
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Year |
2023 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
93-104
T2 - Global food safety : microbial interve |
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Keywords |
H1 Book chapter; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
The foodborne pathogens and microorganisms have played a prevalent role in the ebb and flow of the economy worldwide. The increasing population has strained the food processing industry to produce food in large quantity, which in turn has affected the quality of food. To curb this issue, there is immense pressure to produce and maintain quality food within a short time frame. Hence, high throughput technology is used to determine and timely assess the safety and hygiene of food. Further, the revolution of the food industry has also seen an upsurge of new pathogens and microorganisms, thereby increasing the risk of exposure towards rarest diseases to a larger population. This chapter sheds light on the different types of foodborne pathogens affecting the food industry and its social impact. It further emphasizes the safety measures to be taken on the prevention of the disease from the farm to the processing industries and in turn to the household. |
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Series Issue |
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Edition |
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ISBN |
978-1-003-28314-0 |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:200591 |
Serial |
9039 |
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Permanent link to this record |
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Author |
De Tommasi, E.; Rogato, A.; Caratelli, D.; Mescia, L.; Gielis, J. |
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Title |
Following the photons route : mathematical models describing the interaction of diatoms with light |
Type |
H1 Book chapter |
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Year |
2022 |
Publication |
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Abbreviated Journal |
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Volume |
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Pages |
1-53 |
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Keywords |
H1 Book chapter; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The interaction of diatoms with sunlight is fundamental in order to deeply understand their role in terrestrial ecology and biogeochemistry, essentially due to their massive contribution to global primary production through photosynthesis and its e↵ect on carbon, oxygen and silicon cycles. Following the journey of light through natural waters, its propagation through the intricate frustule micro- and nano-structure and, finally, its fate inside the photosynthetic machinery of the living cell requires several mathematical and computational models in order to accurately describe all the involved phenomena taking place at di↵erent space scales and physical regimes. In this chapter, we review the main analytical models describing the underwater optical field, the essential numerical algorithms for the study of photonic properties of the diatom frustule seen as a natural metamaterial, as well as the principal models describing photon harvesting in diatom plastids and methods for complex EM propagation problems and wave propagation in dispersive materials with multiple relaxation times. These mathematical methods will be integrated in a unifying geometric perspective. |
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ISBN |
978-1-119-74985-1 |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:186731 |
Serial |
7165 |
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Permanent link to this record |
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Author |
Van Grieken, R.; Injuk, J.; Otten, P.; Rojas, C.; van Malderen, H.; Laane, R. |
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Title |
Fluxes and sources of heavy metal inputs into the Southern Bight of the North Sea |
Type |
H3 Book chapter |
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Year |
1992 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
184-193
T2 - Industrial air pollution: assessment |
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Keywords |
H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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no |
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Call Number |
UA @ admin @ c:irua:2859 |
Serial |
7975 |
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Author |
De Bie, C. |
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Title |
Fluid modeling of the plasma-assisted conversion of greenhouse gases to value-added chemicals in a dielectric barrier discharge |
Type |
Doctoral thesis |
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Year |
2016 |
Publication |
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Abbreviated Journal |
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Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Antwerpen |
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Wos |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:138591 |
Serial |
4466 |
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Permanent link to this record |
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Author |
Hassani, H. |
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Title |
First-principles study of polarons in WO₃ |
Type |
Doctoral thesis |
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Year |
2023 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
181 p. |
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Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
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Abstract |
Polarons are quasiparticles emerging in materials from the interaction of extra charge carriers with the surrounding atomic lattice. They appear in a wide va- riety of compounds and can have a profound impact on their properties, making the concept of a polaron a central and ubiquitous topic in material science. Al- though the concept is known for about 75 years, the origin of polarons is not yet fully elucidated. This thesis focuses on WO 3 as a well-known prototypical system for studying polarons, which inherent polaronic nature is linked to its remark- able electrical and chromic properties. The primary objective of this research is to provide a comprehensive atomistic description and understanding of polaron formation in WO 3 using first-principles density functional theory (DFT) calcula- tions. Additionally, the investigation explores the interactions between polarons and the possibility of bipolaron formation. Following a systematic strategy, we first extensively analyze the dielectric and lattice dynamical properties of WO 3 in both the room-temperature P 2 1 /n and ground-state P 2 1 /c phases. Our specific focus is on characterizing the zone-center phonons, which serve as the founda- tion for identifying the phonon modes involved in the polaron formation and charge localization process. Subsequently, we examine the impact of structural distortions on the electronic structure of WO 3 to elucidate the interplay between structural distortions and electronic properties, thereby laying the groundwork for understanding electron-phonon couplings. By incorporating these critical fac- tors, we address our primary research goals. The most common explanation for the polaron formation is associated with the electrostatic screening of the extra charge by the polarizable lattice. Here, we show that, even in ionic crystals, this is not necessarily the case. We demonstrate that polarons in this compound arise primarily from non-polar atomic distortions. We then unveil that this unexpected behavior originates from the undoing of distortive atomic motions, which lowers the bandgap. As such, we coin the name of anti-distortive polaron and validate its appearance through a simple quantum-dot model, in which charge localization is the result of balancing structural, electronic, and confinement energy costs. Then, we also study the polaron-polaron interaction and present the formation of the antiferromagnetic W 4+ bipolaronic state with relatively large formation energy. Our analysis of the W 4+ bipolaronic distortions on the global structure reveals the same behavior as in experiments where the highly distorted monoclinic phase transforms into a tetragonal phase as a function of doping. Additionally, leveraging our previous findings on asymmetric polaronic distortion and examin- ing different merging orientations, we stabilize the antiferromagnetic W 5+ -W 5+ bipolaronic state with an energy lower than the W 4+ state. This thesis clari- fies the formation of unusual medium-size 2D polarons and bipolarons in WO3,which might be relevant to the whole family of ABO 3 perovskites, to which WO 3 is closely related. The simplicity of the concept provides also obvious guidelines for tracking similar behavior in other families of compounds. |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:198169 |
Serial |
8868 |
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Author |
Govaerts, K. |
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Title |
First-principles study of homologous series of layered Bi-Sb-Te-Se and Sn-O structures |
Type |
Doctoral thesis |
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Year |
2015 |
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Abbreviated Journal |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Antwerpen |
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0000-00-00 |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:126206 |
Serial |
1218 |
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Permanent link to this record |
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Author |
Amini, M. |
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Title |
First-principles study of defects in transparent conducting oxide materials |
Type |
Doctoral thesis |
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Year |
2014 |
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Abbreviated Journal |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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0000-00-00 |
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Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:113390 |
Serial |
1216 |
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Author |
Aierken, Y. |
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Title |
First-principles studies of novel two-dimensional materials and their physical properties |
Type |
Doctoral thesis |
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Year |
2017 |
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Abbreviated Journal |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:147503 |
Serial |
4874 |
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Author |
Li, L. |
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Title |
First-principles studies of novel two-dimensional dirac materials |
Type |
Doctoral thesis |
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Year |
2019 |
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Abbreviated Journal |
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Pages |
152 p. |
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Keywords |
Doctoral thesis; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Call Number |
UA @ admin @ c:irua:160527 |
Serial |
5214 |
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Author |
Dixit, H. |
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Title |
First-principles electronic structure calculations of transparent conducting oxide materials |
Type |
Doctoral thesis |
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Year |
2012 |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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0000-00-00 |
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Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:99490 |
Serial |
1209 |
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Author |
Sivek, J. |
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Title |
First-principles characterization and functionalization of graphene-like materials |
Type |
Doctoral thesis |
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2015 |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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Call Number |
UA @ lucian @ c:irua:125632 |
Serial |
1204 |
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Author |
Jafarzadeh, A. |
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Title |
First-principle studies of plasma-catalyst interactions for greenhouse gas conversion |
Type |
Doctoral thesis |
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Year |
2020 |
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Abbreviated Journal |
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163 p. |
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Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Call Number |
UA @ admin @ c:irua:174073 |
Serial |
6765 |
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Author |
Van Grieken, R.; Adams, F. |
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Title |
Filter absorption correction for X-ray fluorescence analysis of aerosol loaded filters |
Type |
P3 Proceeding |
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Year |
1976 |
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P3 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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no |
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Call Number |
UA @ admin @ c:irua:113635 |
Serial |
7968 |
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Author |
Clima, S.; O'Sullivan, B.J.; Ronchi, N.; Bardon, M.G.; Banerjee, K.; Van den Bosch, G.; Pourtois, G.; van Houdt, J. |
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Title |
Ferroelectric switching in FEFET : physics of the atomic mechanism and switching dynamics in HfZrOx, HfO2 with oxygen vacancies and Si dopants |
Type |
P1 Proceeding |
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Year |
2020 |
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P1 Proceeding; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The fine balance between dipole-field energy and anion drift force defines the switching mechanism during polarization reversal: for the first time we show that only Pbcm mechanism obeys the ferroelectric switching physics, whereas P4(2)/nmc (or any other) mechanism does not. However, with lower energy barrier, it represents an important antiferroelectric mechanism. Constraints relaxation can lead to 90 degrees polarization rotation (domain deactivation). Intrinsically, the Si/VO-doping can switch faster than undoped HfO2 or HfZrOx. Theoretical Arrhenius model / intrinsic material switching (DFT) overestimates the switching speed extracted from experiments. |
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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 |
000717011600218 |
Publication Date |
2021-03-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
978-1-7281-8888-1 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:184730 |
Serial |
7963 |
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Permanent link to this record |