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Records |
Links |
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Author |
Abakumov, A.M.; Rozova, M.G.; Pavlyuk, B.P.; Lobanov, M.V.; Antipov, E.V.; Lebedev, O.I.; Van Tendeloo, G.; Ignatchik, O.L.; Ovtchenkov, E.A.; Koksharov, Y.A.; Vasil'ev, A.N. |
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Title |
Synthesis, crystal structure, and magnetic properties of a novel layered manganese oxide Sr2MnGaO5+\delta |
Type |
A1 Journal article |
| |
Year |
2001 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
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| |
Volume  |
160 |
Issue |
2 |
Pages |
353-361 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000171215100010 |
Publication Date |
2002-09-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
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| |
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.299 |
Times cited |
46 |
Open Access |
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| |
Notes |
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Approved |
Most recent IF: 2.299; 2001 IF: 1.614 |
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| |
Call Number |
UA @ lucian @ c:irua:54708 |
Serial |
3447 |
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| Permanent link to this record |
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Author |
Koldeweij, J.; Hoogstede, L.; Ilsink, M.; Janssens, K.; De Keyser, N.; Gotink, R.K.; Legrand, S.; Nauhaus, J.M.; van der Snickt, G.; Spronk, R. |
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Title |
The patron of Hieronymus Bosch's 'Last Judgment' triptych in Vienna |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
The Burlington magazine |
Abbreviated Journal |
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| |
Volume |
160 |
Issue |
1379 |
Pages |
106-111 |
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| |
Keywords |
A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
A technical examination of the Last Judgment triptych by Hieronymus Bosch in the Paintings Gallery of the Academy of Fine Arts, Vienna, has revealed a painted escutcheon with the coat of arms of the Burgundian court official Hippolyte de Berthoz underneath the current surface of the right outer wing. This allows him to be firmly identified as the painting's patron. |
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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 |
000458246800007 |
Publication Date |
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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 |
0007-6287; 2044-9925 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:181267 |
Serial |
8656 |
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| Permanent link to this record |
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Author |
Carraro, G.; Maccato, C.; Gasparotto, A.; Warwick, M.E.A.; Sada, C.; Turner, S.; Bazzo, A.; Andreu, T.; Pliekhova, O.; Korte, D.; Lavrenčič Štangar, U.; Van Tendeloo, G.; Morante, J.R.; Barreca, D. |
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Title |
Hematite-based nanocomposites for light-activated applications: Synergistic role of TiO2 and Au introduction |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Solar energy materials and solar cells |
Abbreviated Journal |
Sol Energ Mat Sol C |
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| |
Volume |
159 |
Issue |
159 |
Pages |
456-466 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Photo-activated processes have been widely recognized as cost-effective and environmentally friendly routes for both renewable energy generation and purification/cleaning technologies. We report herein on a plasma- assisted approach for the synthesis of Fe 2 O 3 -TiO 2 nanosystems functionalized with Au nanoparticles. Fe 2 O 3 nanostructures were grown by plasma enhanced-chemical vapor deposition, followed by the sequential sputtering of titanium and gold under controlled conditions, and final annealing in air. The target nanosystems were subjected to a thorough multi-technique characterization, in order to elucidate the interrelations between their chemico-physical properties and the processing conditions. Finally, the functional performances were preliminarily investigated in both sunlight-assisted H 2 O splitting and photocatalytic activity tests in view of self- cleaning applications. The obtained results highlight the possibility of tailoring the system behaviour and candidate the present Fe 2 O 3 -TiO 2 -Au nanosystems as possible multi-functional low-cost platforms for light-activated processes. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000388053600053 |
Publication Date |
2016-10-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
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| |
ISSN |
0927-0248 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.784 |
Times cited |
15 |
Open Access |
Not_Open_Access |
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| |
Notes |
The research leading to these results has received funding from the FP7 project “SOLAROGENIX” (NMP4-SL-2012-310333), as well as from Padova University ex-60% 2013-2016 projects, grant no. CPDR132937/13 (SOLLEONE) and the post-doc fellowship ACTION. INFINITY project in the framework of the EU Erasmus Mundus Action 2 is also acknowledged to provide a Ph.D. financial support as well as Slovenian Research Agency (program P2-0377). The authors are grateful to Dr. E. Toniato (Department of Chemistry, Padova University, Italy) for synthetic assistance and to Prof. E. Bontempi and Dr. M. Brisotto (Chemistry for Technologies Laboratory, Brescia University, Italy) for XRD analyses. |
Approved |
Most recent IF: 4.784 |
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| |
Call Number |
EMAT @ emat @ c:irua:135833 |
Serial |
4284 |
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| Permanent link to this record |
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Author |
D'Olieslaeger, L.; Pfannmöller, M.; Fron, E.; Cardinaletti, I.; Van der Auweraer, M.; Van Tendeloo, G.; Bals, S.; Maes, W.; Vanderzande, D.; Manca, J.; Ethirajan, A. |
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| |
Title |
Tuning of PCDTBT : PC71BM blend nanoparticles for eco-friendly processing of polymer solar cells |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Solar energy materials and solar cells |
Abbreviated Journal |
Sol Energ Mat Sol C |
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| |
Volume |
159 |
Issue |
159 |
Pages |
179-188 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
We report the controlled preparation of water processable nanoparticles (NPs) employing the push-pull polymer PCDTBT and the fullerene acceptor PC71BM in order to enable solar cell processing using eco-friendly solvent (i.e. water). The presented method provides the possibility to separate the formation of the active layer blend and the deposition of the active layer into two different processes. For the first time, the benefits of aqueous processability for the high-potential class of push-pull polymers, generally requiring high boiling solvents, are made accessible. With our method we demonstrate excellent control over the blend stoichiometry and efficient mixing. Furthermore, we provide visualization of the nano morphology of the different NPs to obtain structural information down to similar to 2 nm resolution using advanced analytical electron microscopy. The imaging directly reveals very small compositional demixing in the PCDTBT:PC71BM blend NPs, in the size range of about <5 nm, indicating fine mixing at the molecular level. The suitability of the proposed methodology and materials towards the aspects of eco-friendly processing of organic solar cells is demonstrated through a processing of lab scale NPs solar cell prototypes reaching a power conversion efficiency of 1.9%. (C) 2016 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000388053600021 |
Publication Date |
2016-09-19 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0927-0248 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.784 |
Times cited |
32 |
Open Access |
OpenAccess |
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| |
Notes |
; This work was supported by BOF funding of Hasselt University, the Interreg project Organext, and the IAP 7/05 project FS2 (Functional Supramolecular Systems), granted by the Science Policy Office of the Belgian Federal Government (BELSPO). A.E. is a post-doctoral fellow of the Flanders Research Foundation (FWO). M.P. gratefully acknowledges the SIM NanoForce program for financial support. S.B. further acknowledges financial support from the European Research Council (ERC Starting Grant #335078-COLOURATOMS). The authors are thankful for technical support by J. Smits, T. Vangerven, and J. Baccus. ; ecas_sara |
Approved |
Most recent IF: 4.784 |
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| |
Call Number |
UA @ lucian @ c:irua:139157UA @ admin @ c:irua:139157 |
Serial |
4450 |
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| Permanent link to this record |
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Author |
Grubova, I.Y.; Surmeneva, M.A.; Huygh, S.; Surmenev, R.A.; Neyts, E.C. |
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Title |
Effects of silicon doping on strengthening adhesion at the interface of the hydroxyapatite-titanium biocomposite : a first-principles study |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Computational materials science |
Abbreviated Journal |
Comp Mater Sci |
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| |
Volume |
159 |
Issue |
159 |
Pages |
228-234 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
In this paper we employ first-principles calculations to investigate the effect of substitutional Si doping in the amorphous calcium-phosphate (a-HAP) structure on the work of adhesion, integral charge transfer, charge density difference and theoretical tensile strengths between an a-HAP coating and amorphous titanium dioxide (a-TiO2) substrate systemically. Our calculations demonstrate that substitution of a P atom by a Si atom in a-HAP (a-Si-HAP) with the creation of OH-vacancies as charge compensation results in a significant increase of the bonding strength of the coating to the substrate. The work of adhesion of the optimized Si-doped interfaces reaches a value of up to -2.52 J m(-2), which is significantly higher than for the stoichiometric a-HAP/a-TiO2. Charge density difference analysis indicates that the dominant interactions at the interface have significant covalent character, and in particular two Ti-O and three Ca-O bonds are formed for a-Si-HAP/a-TiO2 and one Ti-O and three Ca-O bonds for a-HAP/a-TiO2. From the stress-strain curve, the Young's modulus of a-Si-HAP/a-TiO2 is calculated to be about 25% higher than that of the a-HAP/a-TiO2, and the yielding stress is about 2 times greater than that of the undoped model. Our calculations therefore demonstrate that the presence of Si in the a-HAP structure strongly alters not only the bioactivity and resorption rates, but also the mechanical properties of the a-HAP/a-TiO2 interface. The results presented here provide an important theoretical insight into the nature of the chemical bonding at the a-HAP/a-TiO2 interface, and are particularly significant for the practical medical applications of HAP-based biomaterials. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000457856900023 |
Publication Date |
2018-12-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
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| |
ISSN |
0927-0256 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.292 |
Times cited |
1 |
Open Access |
Not_Open_Access |
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| |
Notes |
|
Approved |
Most recent IF: 2.292 |
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| |
Call Number |
UA @ admin @ c:irua:157480 |
Serial |
5272 |
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| Permanent link to this record |
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Author |
Bladt, E.; Pelt, D.M.; Bals, S.; Batenburg, K.J. |
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Title |
Electron tomography based on highly limited data using a neural network reconstruction technique |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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| |
Volume |
158 |
Issue |
158 |
Pages |
81-88 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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| |
Abstract |
Gold nanoparticles are studied extensively due to their unique optical and catalytical properties. Their exact shape determines the properties and thereby the possible applications. Electron tomography is therefore often used to examine the three-dimensional (3D) shape of nanoparticles. However, since the acquisition of the experimental tilt series and the 3D reconstructions are very time consuming, it is difficult to obtain statistical results concerning the 3D shape of nanoparticles. Here, we propose a new approach for electron tomography that is based on artificial neural networks. The use of a new reconstruction approach enables us to reduce the number of projection images with a factor of 5 or more. The decrease in acquisition time of the tilt series and use of an efficient reconstruction algorithm allows us to examine a large amount of nanoparticles in order to retrieve statistical results concerning the 3D shape. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000361574800011 |
Publication Date |
2015-07-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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| |
ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.843 |
Times cited |
25 |
Open Access |
OpenAccess |
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Notes |
335078 COLOURATOM; FWO; COST Action MP1207; 312483 ESTEEM2; esteem2jra4; ECASSara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); |
Approved |
Most recent IF: 2.843; 2015 IF: 2.436 |
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Call Number |
c:irua:126675 c:irua:126675 |
Serial |
988 |
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| Permanent link to this record |
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Author |
Abakumov, A.M.; Rozova, M.G.; Pavlyuk, B.P.; Lobanov, M.V.; Antipov, E.V.; Lebedev, O.I.; Van Tendeloo, G.; Sheptyakov, D.V.; Balagurov, A.M.; Bourée, F. |
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Title |
Synthesis and crystal structure of novel layered manganese oxide Ca2MnGaO5+\delta |
Type |
A1 Journal article |
| |
Year |
2001 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
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| |
Volume |
158 |
Issue |
1 |
Pages |
100-111 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000168441500015 |
Publication Date |
2002-09-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.299 |
Times cited |
48 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 2.299; 2001 IF: 1.614 |
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| |
Call Number |
UA @ lucian @ c:irua:54707 |
Serial |
3425 |
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| Permanent link to this record |
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Author |
Terzano, R.; Santoro, A.; Spagnuolo, M.; Vekemans, B.; Medici, L.; Janssens, K.; Göttlicher, J.; Denecke, M.A.; Mangold, S.; Ruggiero, P. |
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Title |
Solving mercury (Hg) speciation in soil samples by synchrotron X-ray microspectroscopic techniques |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Environmental pollution |
Abbreviated Journal |
Environ Pollut |
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| |
Volume |
158 |
Issue |
8 |
Pages |
2702-2709 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
Direct mercury (Hg) speciation was assessed for soil samples with a Hg concentration ranging from 7 up to 240 mg kg1. Hg chemical forms were identified and quantified by sequential extractions and bulkand micro-analytical techniques exploiting synchrotron generated X-rays. In particular, microspectroscopic techniques such as m-XRF, m-XRD and m-XANES were necessary to solve bulk Hg speciation, in both soil fractions <2 mm and <2 mm. The main Hg-species found in the soil samples were metacinnabar (b-HgS), cinnabar (a-HgS), corderoite (Hg3S2Cl2), and an amorphous phase containing Hg bound to chlorine and sulfur. The amount of metacinnabar and amorphous phases increased in the fraction <2 mm. No interaction among Hg-species and soil components was observed. All the observed Hgspecies originated from the slow weathering of an inert Hg-containing waste material (K106, U.S. EPA) dumped in the area several years ago, which is changing into a relatively more dangerous source of pollution. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000280571500026 |
Publication Date |
2010-06-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0269-7491 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
5.099 |
Times cited |
30 |
Open Access |
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Notes |
; This research was partially financed by the MIUR (COFIN 2005) project “Innovative chemical, physical, and biological methods to characterize and remediate soils polluted by heavy metals (MICROS)”. Synchrotron experiments at HASYLAB were financially supported by the European Community-Research Infrastructure Action under the FP6 “Structuring the European Research Area” Program I(Integrating Activity on Synchrotron and Free Electron Laser Science; project: contract RII3-CT-2004-506008). This research was also performed as part of the “Interuniversity Attraction Poles” (IAP6) Program financed by the Belgian government. We thank Gerald Falkenberg and Karen Rickers-Appel for their scientific and technical support in obtaining the experimental data at Beam line L (HASYLAB, DESY, Hamburg, Germany). ; |
Approved |
Most recent IF: 5.099; 2010 IF: 3.395 |
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| |
Call Number |
UA @ admin @ c:irua:84050 |
Serial |
5835 |
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| Permanent link to this record |
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Author |
Kim, E.; Spooren, J.; Broos, K.; Horckmans, L.; Quaghebeur, M.; Vrancken, K.C. |
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Title |
Selective recovery of Cr from stainless steel slag by alkaline roasting followed by water leaching |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Hydrometallurgy |
Abbreviated Journal |
|
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| |
Volume |
158 |
Issue |
|
Pages |
139-148 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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| |
Abstract |
Selective chromium (Cr) leaching from stainless steel slag (SS slag) by alkali roasting followed by water leaching was investigated. The efficiency of the alkali roasting process for Cr leaching was increased by optimizing the mass ratio of alkaline agents (NaOH, and NaOH-NaNO3) to the slag, roasting temperature and time. At the optimum condition (0.67 mass ratio of NaOH to SS slag, 400 degrees C, 2 h) of NaOH roasting, chromium leaching was around 83%, while the matrix material was dissolved only to a limited extent (Si 8.0%). Mechanical activation of the SS slag prior to roasting reduced the optimum NaOH to SS slag mass ratio to 0.4. The addition of NaNO3 as an oxidant to the NaOH salt increased Cr leaching to 89% after roasting at 400 degrees C for 2 h. The remaining Cr phases in the residue were almost exclusively FeCr alloys. Further chromium dissolution from these alloys is prevented by a passivation layer of Fe oxides as shown by SEM/EDS images. Based on these results, a SS slag recycling process is suggested in which roasting-water leaching followed by water washing to remove Cr yields a residue which has potential for application as a construction material. (C) 2015 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000366768000019 |
Publication Date |
2015-11-02 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0304-386x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:130223 |
Serial |
8504 |
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| Permanent link to this record |
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Author |
Hadermann, J.; Van Tendeloo, G.; Abakumov, A.M.; Rozova, M.G.; Antipov, E.V. |
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Title |
HREM study of fluorinated Nd2CuO4 |
Type |
A1 Journal article |
| |
Year |
2001 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
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| |
Volume |
157 |
Issue |
|
Pages |
56-61 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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| |
Address |
|
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| |
Corporate Author |
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Thesis |
|
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| |
Publisher |
|
Place of Publication |
London |
Editor |
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| |
Language |
|
Wos |
000167634500008 |
Publication Date |
2002-09-18 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.299 |
Times cited |
7 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.299; 2001 IF: 1.614 |
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| |
Call Number |
UA @ lucian @ c:irua:36047 |
Serial |
1510 |
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| Permanent link to this record |
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Author |
Vassiliev, S.Y.; Laurinavichute, V.K.; Abakumov, A.M.; Govorov, V.A.; Bendovskii, E.B.; Turner, S.; Filatov, A.Y.; Tarasovskii, V.P.; Borzenko, A.G.; Alekseeva, A.M.; Antipov, E.V. |
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| |
Title |
Microstructural aspects of the degradation behavior of SnO2-based anodes for aluminum electrolysis |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Journal of the electrochemical society |
Abbreviated Journal |
J Electrochem Soc |
|
| |
Volume |
157 |
Issue |
5 |
Pages |
C178-C186 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
The performance of SnO2 ceramic anodes doped with copper and antimony oxides was examined in cryolite alumina melts under anodic polarization at different cryolite ratios, temperatures, times, and current densities. The corroded part consists of a narrow strong corrosion zone at the anode surface with damage of the intergrain contacts and a large increase in porosity, a wider moderate corrosion zone with a smaller porosity increase, and a Cu depletion zone, where the ceramic retains its initial microstructure and a slight porosity increase occurs due to the removal of the Cu-rich inclusions. Mechanical destruction of the anode was never observed in the 10100 h tests. A microstructural model of the ceramic was suggested, consisting of grains with an Sb-doped SnO2 grain core surrounded by an ~200 to 500 nm grain shell where SnO2 was simultaneously doped with Sb and Mn+ (M=Cu2+,Fe3+,Al3+). The grains were separated by a few nanometers thick Cu-enriched grain boundaries. Different secondary charge carrier (holes) concentrations and electric conductivities in the grain core and grain shell result in a higher current density at the intergrain regions that leads to their profound degradation, especially in the low temperature acidic melt. |
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Address |
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Corporate Author |
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Thesis |
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|
| |
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
| |
Language |
|
Wos |
000276555300037 |
Publication Date |
2010-04-12 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0013-4651; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.259 |
Times cited |
3 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.259; 2010 IF: 2.427 |
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| |
Call Number |
UA @ lucian @ c:irua:82260 |
Serial |
2040 |
|
| Permanent link to this record |
| |
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| |
|
Author |
Arsoski, V.; Tadic, M.; Peeters, F.M. |
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| |
Title |
Electric field tuning of the optical excitonic Aharonov-Bohm effect in nanodots grown by droplet epitaxy |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physica scripta |
Abbreviated Journal |
Phys Scripta |
|
| |
Volume |
T157 |
Issue |
|
Pages |
014002 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Neutral excitons in axially symmetric GaAs nanodots embedded in an (Al, Ga) As matrix, which are formed by the droplet epitaxy technique, are investigated theoretically. An electric field perpendicular to the nanodot base results in both a vertical and an in-plane exciton polarization, which is beneficial for the appearance of the excitonic Aharonov-Bohm effect. In the range of low magnetic fields (below 5 Tesla), we found that the bright and dark exciton states can cross twice. This results in oscillations of the photoluminescence intensity with magnetic field, which are a striking manifestation of the optical excitonic Aharonov-Bohm effect. |
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| |
Address |
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Corporate Author |
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Thesis |
|
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| |
Publisher |
|
Place of Publication |
Stockholm |
Editor |
|
|
| |
Language |
|
Wos |
000332504600003 |
Publication Date |
2013-11-15 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0031-8949 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
1.28 |
Times cited |
|
Open Access |
|
|
| |
Notes |
; This work was supported by the EU Network of Excellence: SANDiE, the Ministry of Education and Science of Serbia, the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; |
Approved |
Most recent IF: 1.28; 2013 IF: 1.296 |
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| |
Call Number |
UA @ lucian @ c:irua:128901 |
Serial |
4594 |
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| Permanent link to this record |
| |
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| |
|
Author |
Bafekry, A.; Stampfl, C.; Ghergherehchi, M.; Shayesteh, S.F. |
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| |
Title |
A first-principles study of the effects of atom impurities, defects, strain, electric field and layer thickness on the electronic and magnetic properties of the C2N nanosheet |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
|
| |
Volume |
157 |
Issue |
157 |
Pages |
371-384 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Using the first-principles calculations, we explore the structural and novel electronic/optical properties of the C2N nanosheet. To this goal, we systematically investigate the affect of layer thickness, electrical field and strain on the electronic properties of the C2N nanosheet. By increasing the thickness of C2N, we observed that the band gap decreases. Moreover, by applying an electrical field to bilayer C2N, the band gap decreases and a semiconductor-to-metal transition can occur. Our results also confirm that uniaxial and biaxial strain can effectively alter the band gap of C2N monolayer. Furthermore, we show that the electronic and magnetic properties of C2N can be modified by the adsorption and substitution of various atoms. Depending on the species of embedded atoms, they may induce semiconductor (O, C, Si and Be), metal (S, N, P, Na, K, Mg and Ca), dilute-magnetic semiconductor (H, F, B), or ferro-magnetic-metal (Cl, Li) character in C2N monolayer. It was also found that the inclusion of hydrogen or oxygen impurities and nitrogen vacancies, can induce magnetism in the C2N monolayer. These extensive calculations can be useful to guide future studies to modify the electronic/optical properties of two-dimensional materials. (C) 2019 Elsevier Ltd. All rights reserved. |
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| |
Address |
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| |
Corporate Author |
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Thesis |
|
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| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000502548500044 |
Publication Date |
2019-10-22 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0008-6223 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
10.9 |
Times cited |
49 |
Open Access |
|
|
| |
Notes |
; This work was supported by the National Research Foundation of Korea grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). We are thankful for comments by Meysam Baghery Tagani from department of physics in University of Guilan and Bohayra Mortazavi from Gottfried Wilhelm Leibniz Universitat Hannover, Hannover, Germany. ; |
Approved |
Most recent IF: 10.9; 2020 IF: 6.337 |
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| |
Call Number |
UA @ admin @ c:irua:165024 |
Serial |
6283 |
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| Permanent link to this record |
| |
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| |
|
Author |
Bal, K.M.; Neyts, E.C. |
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| |
Title |
Extending and validating bubble nucleation rate predictions in a Lennard-Jones fluid with enhanced sampling methods and transition state theory |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Journal Of Chemical Physics |
Abbreviated Journal |
J Chem Phys |
|
| |
Volume |
157 |
Issue |
18 |
Pages |
184113-10 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
We calculate bubble nucleation rates in a Lennard-Jones fluid through explicit molecular dynamics simulations. Our approach-based on a recent free energy method (dubbed reweighted Jarzynski sampling), transition state theory, and a simple recrossing correction-allows us to probe a fairly wide range of rates in several superheated and cavitation regimes in a consistent manner. Rate predictions from this approach bridge disparate independent literature studies on the same model system. As such, we find that rate predictions based on classical nucleation theory, direct brute force molecular dynamics simulations, and seeding are consistent with our approach and one another. Published rates derived from forward flux sampling simulations are, however, found to be outliers. This study serves two purposes: First, we validate the reliability of common modeling techniques and extrapolation approaches on a paradigmatic problem in materials science and chemical physics. Second, we further test our highly generic recipe for rate calculations, and establish its applicability to nucleation processes. |
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Address |
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Corporate Author |
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Thesis |
|
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| |
Publisher |
|
Place of Publication |
|
Editor |
|
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| |
Language |
|
Wos |
000885260600002 |
Publication Date |
2022-11-14 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0021-9606 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.4 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 4.4 |
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| |
Call Number |
UA @ admin @ c:irua:192076 |
Serial |
7266 |
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| Permanent link to this record |
| |
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| |
|
Author |
Semenov, M.Y.; Spolnik, Z.; Van Grieken, R. |
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| |
Title |
Assessing the size-dependent chemical speciation of soil particles using electron probe X-ray microanalysis |
Type |
A1 Journal article |
| |
Year |
2007 |
Publication |
Microchimica acta |
Abbreviated Journal |
|
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| |
Volume |
157 |
Issue |
3/4 |
Pages |
121-126 |
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| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000244691600001 |
Publication Date |
2006-07-26 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0026-3672; 1436-5073 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:63400 |
Serial |
7498 |
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| Permanent link to this record |
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| |
|
Author |
Krause, F.F.; Ahl, J.P.; Tytko, D.; Choi, P.P.; Egoavil, R.; Schowalter, M.; Mehrtens, T.; Müller-Caspary, K.; Verbeeck, J.; Raabe, D.; Hertkorn, J.; Engl, K.; Rosenauer, A. |
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| |
Title |
Homogeneity and composition of AlInGaN : a multiprobe nanostructure study |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
|
| |
Volume |
156 |
Issue |
156 |
Pages |
29-36 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
The electronic properties of quaternary AlInGaN devices significantly depend on the homogeneity of the alloy. The identification of compositional fluctuations or verification of random-alloy distribution is hence of grave importance. Here, a comprehensive multiprobe study of composition and compositional homogeneity is presented, investigating AlInGaN layers with indium concentrations ranging from 0 to 17 at% and aluminium concentrations between 0 and 39 at% employing high-angle annular dark field scanning electron microscopy (HAADF STEM), energy dispersive X-ray spectroscopy (EDX) and atom probe tomography (APT). EDX mappings reveal distributions of local concentrations which are in good agreement with random alloy atomic distributions. This was hence investigated with HAADF STEM by comparison with theoretical random alloy expectations using statistical tests. To validate the performance of these tests, HAADF STEM image simulations were carried out for the case of a random-alloy distribution of atoms and for the case of In-rich clusters with nanometer dimensions. The investigated samples, which were grown by metal-organic vapor phase epitaxy (MOVPE), were thereby found to be homogeneous on this nanometer scale. Analysis of reconstructions obtained from APT measurements yielded matching results. Though HAADF STEM only allows for the reduction of possible combinations of indium and aluminium concentrations to the proximity of isolines in the two-dimensional composition space. The observed ranges of composition are in good agreement with the EDX and APT results within the respective precisions. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
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| |
Language |
|
Wos |
000361001800006 |
Publication Date |
2015-04-26 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.843 |
Times cited |
11 |
Open Access |
|
|
| |
Notes |
312483 Esteem2; esteem2_ta |
Approved |
Most recent IF: 2.843; 2015 IF: 2.436 |
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| |
Call Number |
c:irua:126965 c:irua:126965UA @ admin @ c:irua:126965 |
Serial |
1485 |
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| Permanent link to this record |
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| |
|
Author |
Verbruggen, S.W.; Keulemans, M.; Filippousi, M.; Flahaut, D.; Van Tendeloo, G.; Lacombe, S.; Martens, J.A.; Lenaerts, S. |
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| |
Title |
Plasmonic goldsilver alloy on TiO2 photocatalysts with tunable visible light activity |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Applied catalysis : B : environmental |
Abbreviated Journal |
Appl Catal B-Environ |
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| |
Volume |
156 |
Issue |
|
Pages |
116-121 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL) |
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| |
Abstract |
Adaptation of the photoresponse of anatase TiO2 to match the solar spectrum is an important scientific challenge. Modification of TiO2 with noble metal nanoparticles displaying surface plasmon resonance effects is one of the promising approaches. Surface plasmon resonance typically depends on chemical composition, size, shape and spatial organization of the metal nanoparticles in contact with TiO2. AuxAg(1 − x) alloy nanoparticles display strong composition-dependent surface plasmon resonance in the visible light region of the spectrum. In this work, a general strategy is presented to prepare plasmonic TiO2-based photocatalysts with a visible light response that can be accurately tuned over a broad range of the spectrum. The application as self-cleaning material toward the degradation of stearic acid is demonstrated for a plasmonic TiO2 photocatalyst displaying visible light photoactivity at the intensity maximum of solar light around 490 nm. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
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| |
Language |
|
Wos |
000336013200014 |
Publication Date |
2014-03-22 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0926-3373; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
9.446 |
Times cited |
84 |
Open Access |
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| |
Notes |
Flanders(FWO); Methusalem |
Approved |
Most recent IF: 9.446; 2014 IF: 7.435 |
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| |
Call Number |
UA @ lucian @ c:irua:115552 |
Serial |
2646 |
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| Permanent link to this record |
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| |
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Author |
Hadermann, J.; Khasanova, N.R.; Van Tendeloo, G.; Abakumov, A.M.; Rozova, M.G.; Alekseeva, A.M.; Antipov, E.V. |
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| |
Title |
Suppression of modulations in fluorinated Bi-2201 phases |
Type |
A1 Journal article |
| |
Year |
2001 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
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| |
Volume |
156 |
Issue |
|
Pages |
445-451 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
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Place of Publication |
London |
Editor |
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| |
Language |
|
Wos |
000167252000027 |
Publication Date |
2002-09-18 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.299 |
Times cited |
8 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.299; 2001 IF: 1.614 |
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| |
Call Number |
UA @ lucian @ c:irua:36046 |
Serial |
3386 |
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| Permanent link to this record |
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| |
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Author |
Ribbens, S.; Beyers, E.; Schellens, K.; Mertens, M.; Ke, X.; Bals, S.; Van Tendeloo, G.; Meynen, V.; Cool, P. |
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| |
Title |
Systematic evaluation of thermal and mechanical stability of different commercial and synthetic photocatalysts in relation to their photocatalytic activity |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
Microporous and mesoporous materials: zeolites, clays, carbons and related materials |
Abbreviated Journal |
Micropor Mesopor Mat |
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| |
Volume |
156 |
Issue |
|
Pages |
62-72 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
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| |
Abstract |
The effect of thermal treatment and mechanical stress on the structural and photocatalytic properties of eight different (synthetic and commercial) photocatalysts has been thoroughly investigated. Different mesoporous Ti-based materials were prepared via surfactant based synthesis routes (e.g. Pluronic 123, CTMABr = Cetyltrimethylammonium bromide) or via template-free synthesis routes (e.g. trititanate nanotubes). Also, the stabilizing effect of the NaOH/NH4OH post-treatment on the templated mesoporous materials and their photocatalytic activity was investigated. Furthermore, the thermal and mechanical properties of commercially available titanium dioxides such as P25 Evonik® and Millenium PC500® were studied. The various photocatalysts were analyzed with N2-sorption, X-ray diffraction (XRD), high resolution transmission electron microscopy (HR-TEM), differential scanning calorimetry (DSC) and thermal gravimetric analysis (TGA) to obtain information concerning the specific surface area, pore volume, crystal structure, morphology, phase transitions, etc. In general, results show that the NaOH post-treatment leads to an increased control of the crystallization process during calcination resulting in a higher thermal stability, but at the same time diminishes the photocatalytic activity. Mesoporous materials in which pre-synthesized nanoparticles are used as titania source have the best mechanical stability whereas the mechanical stability of the nanotubes is the most limited. At increased temperatures and pressures, the tested commercial titanium dioxides lose their superior photocatalytic activity caused by a decreased accessibility of the active sites. The observed changes in adsorption capacities and photocatalytic activities cannot be assigned to one single phenomenon. In this respect, it shows the need to define a general/standard method to compare different photocatalysts. Furthermore, it is shown that the photocatalytic properties do not necessarily deteriorate under thermal stress, but can be improved due to crystallization, even though the initial material is (partially) destroyed. It is shown that the usefulness of a specific type of photocatalyst strongly depends on the application and the temperature/pressure to which it needs to resist. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
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| |
Language |
|
Wos |
000303625200010 |
Publication Date |
2012-02-08 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1387-1811; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.615 |
Times cited |
8 |
Open Access |
|
|
| |
Notes |
Fwo |
Approved |
Most recent IF: 3.615; 2012 IF: 3.365 |
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| |
Call Number |
UA @ lucian @ c:irua:96910 |
Serial |
3466 |
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| Permanent link to this record |
| |
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| |
|
Author |
Nunez Manzano, M.; Gonzalez Quiroga, A.; Perreault, P.; Madanikashani, S.; Vandewalle, L.A.; Marin, G.B.; Heynderickx, G.J.; Van Geem, K.M. |
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| |
Title |
Biomass fast pyrolysis in an innovative gas-solid vortex reactor : experimental proof of concept |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Journal Of Analytical And Applied Pyrolysis |
Abbreviated Journal |
J Anal Appl Pyrol |
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| |
Volume |
156 |
Issue |
|
Pages |
105165-12 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
|
| |
Abstract |
Biomass fast pyrolysis has been considered one of the best alternatives for the thermal conversion of biomass into bio-oil. This work introduces a new reactor technology for biomass fast pyrolysis, the Gas-Solid Vortex Reactor (GSVR), to obtain high bio-oil yields. The GSVR was designed to decrease the residence time of the pyrolysis vapors; thus, the secondary cracking reactions are reduced, to enhance the segregation of the char and the unreacted biomass and to improve the heat transfer rate. Biomass fast pyrolysis experiments have been carried out for the first time in a Gas-Solid Vortex Reactor (GSVR) at 773 K, using softwood (pine) and hardwood (poplar) as feedstock. Char yields as low as 10 wt. % in the GSVR were comparable to those reported for the same feedstocks processed in conventional fluidized bed reactors. The yields of non-condensable gases in the range of 15–17 wt. % were significantly lower than those reported for other commonly used biomass fast pyrolysis reactors. Two-dimensional gas chromatography (GC × GC) revealed noticeable differences at the molecular level between the bio-oils from the GSVR and bio-oils from other reactors. The aromatics in the pine bio-oil consist almost entirely (85 wt. %) of guaiacols. For poplar bio-oils no predominant group of aromatics was found, but phenolics, syringols, and catechols were the most pronounced. The experimental results highlight the advantages of the GSVR for biomass pyrolysis, reaching stable operation in around 60 s, removing the formed char selectively during operation, and enabling fast entrainment of pyrolysis vapors. Results indicate a great potential for increasing yield and selectivity towards guaiacols in softwood (e.g., pine) bio-oil. Likewise, decreasing pyrolysis temperature could increase the yield of guaiacols and syringols in hardwood (e.g., poplar) bio-oil. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
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| |
Language |
|
Wos |
000663091200002 |
Publication Date |
2021-04-16 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0165-2370 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.471 |
Times cited |
|
Open Access |
OpenAccess |
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| |
Notes |
|
Approved |
Most recent IF: 3.471 |
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| |
Call Number |
UA @ admin @ c:irua:178743 |
Serial |
7562 |
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| Permanent link to this record |
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Author |
Vanderkerckhove, T.G.L.; Kerckhof, F.-M.; De Mulder, C.; Vlaeminck, S.E.; Boon, N. |
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| |
Title |
Determining stoichiometry and kinetics of two thermophilic nitrifying communities as a crucial step in the development of thermophilic nitrogen removal |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Water research |
Abbreviated Journal |
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|
| |
Volume |
156 |
Issue |
|
Pages |
34-45 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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| |
Abstract |
Nitrification and denitrification, the key biological processes for thermophilic nitrogen removal, have separately been established in bioreactors at 50 °C. A well-characterized set of kinetic parameters is essential to integrate these processes while safeguarding the autotrophs performing nitrification. Knowledge on thermophilic nitrifying kinetics is restricted to isolated or highly enriched batch cultures, which do not represent bioreactor conditions. This study characterized the stoichiometry and kinetics of two thermophilic (50 °C) nitrifying communities. The most abundant ammonia oxidizing archaea (AOA) were related to the Nitrososphaera genus, clustering relatively far from known species Nitrososphaera gargensis (95.5% 16S rRNA gene sequence identity). The most abundant nitrite oxidizing bacteria (NOB) were related to Nitrospira calida (97% 16S rRNA gene sequence identity). The nitrification biomass yield was 0.200.24 g VSS g−1 N, resulting mainly from a high AOA yield (0.160.20 g VSS g−1 N), which was reflected in a high AOA abundance in the community (5776%) compared to NOB (511%). Batch-wise determination of decay rates (AOA: 0.230.29 d−1; NOB: 0.320.43 d−1) rendered an overestimation compared to in situ estimations of overall decay rate (0.0260.078 d−1). Possibly, the inactivation rate rather than the actual decay rate was determined in batch experiments. Maximum growth rates of AOA and NOB were 0.120.15 d−1 and 0.130.33 d−1 respectively. NOB were susceptible to nitrite, opening up opportunities for shortcut nitrogen removal. However, NOB had a similar growth rate and oxygen affinity (0.150.55 mg O2 L−1) as AOA and were resilient towards free ammonia (IC50 > 16 mg NH3-N L−1). This might complicate NOB outselection using common practices to establish shortcut nitrogen removal (SRT control; aeration control; free ammonia shocks). Overall, the obtained insights can assist in integrating thermophilic conversions and facilitate single-sludge nitrification/denitrification. |
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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 |
000466618400004 |
Publication Date |
2019-03-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0043-1354; 1879-2448 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
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Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:158226 |
Serial |
7798 |
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| Permanent link to this record |
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Author |
Bal, K.M. |
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Title |
Nucleation rates from small scale atomistic simulations and transition state theory |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Journal Of Chemical Physics |
Abbreviated Journal |
J Chem Phys |
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| |
Volume |
155 |
Issue |
14 |
Pages |
144111 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
The evaluation of nucleation rates from molecular dynamics trajectories is hampered by the slow nucleation time scale and impact of finite size effects. Here, we show that accurate nucleation rates can be obtained in a very general fashion relying only on the free energy barrier, transition state theory, and a simple dynamical correction for diffusive recrossing. In this setup, the time scale problem is overcome by using enhanced sampling methods, in casu metadynamics, whereas the impact of finite size effects can be naturally circumvented by reconstructing the free energy surface from an appropriate ensemble. Approximations from classical nucleation theory are avoided. We demonstrate the accuracy of the approach by calculating macroscopic rates of droplet nucleation from argon vapor, spanning 16 orders of magnitude and in excellent agreement with literature results, all from simulations of very small (512 atom) systems. |
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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 |
000755502100008 |
Publication Date |
2021-09-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0021-9606 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.965 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 2.965 |
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| |
Call Number |
UA @ admin @ c:irua:184937 |
Serial |
8320 |
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| Permanent link to this record |
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Author |
Zanin, L.; Tomasi, N.; Rizzardo, C.; Gottardi, S.; Terzano, R.; Alfeld, M.; Janssens, K.; De Nobili, M.; Mimmo, T.; Cesco, S. |
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Title |
Iron allocation in leaves of Fe-deficient cucumber plants fed with natural Fe complexes |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Physiologia plantarum |
Abbreviated Journal |
Physiol Plantarum |
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| |
Volume |
154 |
Issue |
1 |
Pages |
82-94 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Iron (Fe) sources available for plants in the rhizospheric solution are mainly a mixture of complexes between Fe and organic ligands, including phytosiderophores (PS) and water-extractable humic substances (WEHS). In comparison with the other Fe sources, Fe-WEHS are more efficiently used by plants, and experimental evidences show that Fe translocation contributes to this better response. On the other hand, very little is known on the mechanisms involved in Fe allocation in leaves. In this work, physiological and molecular processes involved in Fe distribution in leaves of Fe-deficient Cucumis sativus supplied with Fe-PS or Fe-WEHS up to 5days were studied combining different techniques, such as radiochemical experiments, synchrotron micro X-ray fluorescence, real-time reverse transcription polymerase chain reaction and in situ hybridization. In Fe-WEHS-fed plants, Fe was rapidly (1day) allocated into the leaf veins, and after 5days, Fe was completely transferred into interveinal cells; moreover, the amount of accumulated Fe was much higher than with Fe-PS. This redistribution in Fe-WEHS plants was associated with an upregulation of genes encoding a ferric(III)-chelate reductase (FRO), a Fe2+ transporter (IRT1) and a natural resistance-associated macrophage protein (NRAMP). The localization of FRO and IRT1 transcripts next to the midveins, beside that of NRAMP in the interveinal area, may suggest a rapid and efficient response induced by the presence of Fe-WEHS in the extra-radical solution for the allocation in leaves of high amounts of Fe. In conclusion, Fe is more efficiently used when chelated to WEHS than PS and seems to involve Fe distribution and gene regulation of Fe acquisition mechanisms operating in leaves. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000353067500007 |
Publication Date |
2014-10-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0031-9317 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.33 |
Times cited |
14 |
Open Access |
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Notes |
; Research was supported by grants from Italian MIUR (FIRB-Programma 'Futuro in Ricerca') and Free University of Bolzano (TN5056). Synchrotron experiments at HASYLAB were financially supported by the European Community-Research Infrastructure Action under the FP6 'Structuring the European Research Area' Program I (Integrating Activity on Synchrotron and Free Electron Laser Science; project: contract RII3-CT-2004-506008). We thank Karen Appel for her scientific and technical support in obtaining the experimental data at Beamline L (HASYLAB, DESY, Hamburg, Germany). ; |
Approved |
Most recent IF: 3.33; 2015 IF: 3.138 |
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Call Number |
UA @ admin @ c:irua:132500 |
Serial |
5678 |
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| Permanent link to this record |
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Author |
Payne, L.M.; Masia, F.; Zilli, A.; Albrecht, W.; Borri, P.; Langbein, W. |
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Title |
Quantitative morphometric analysis of single gold nanoparticles by optical extinction microscopy: Material permittivity and surface damping effects |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Journal Of Chemical Physics |
Abbreviated Journal |
J Chem Phys |
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| |
Volume |
154 |
Issue |
4 |
Pages |
044702 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000630495600001 |
Publication Date |
2021-01-28 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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| |
ISSN |
0021-9606 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.965 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
This work was supported by the Welsh Government Life Sciences Bridging Fund (Grant No. LSBF/R6-005), the UK EPSRC (Grant Nos. EP/I005072/1 and EP/M028313/1), and the European Commission (Grant No. EUSMI E191000350). P.B. acknowledges the Royal Society for her Wolfson research merit award (Grant No. WM140077). F.M. acknowledges the Ser Cymru II programme (Case ID 80762-CU-148) which is part-funded by Cardiff University and the European Regional Development Fund through the Welsh Government. W.A. acknowledges an Individual Fellowship from the Marie Skłodowska-Curie actions (MSCA) under the EU’s Horizon 2020 program (Grant No. 797153, SOPMEN) and Sara Bals for supporting the STEM measurements. The brightfield TEM was performed by Thomas Davies at Cardiff University. We acknowledge Iestyn Pope for technical support of the optical equipment. |
Approved |
Most recent IF: 2.965 |
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Call Number |
EMAT @ emat @c:irua:177566 |
Serial |
6748 |
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| Permanent link to this record |
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Author |
Hamid, I.; Jalali, H.; Peeters, F.M.; Neek-Amal, M. |
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Title |
Abnormal in-plane permittivity and ferroelectricity of confined water : from sub-nanometer channels to bulk |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Journal Of Chemical Physics |
Abbreviated Journal |
J Chem Phys |
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Volume |
154 |
Issue |
11 |
Pages |
114503 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Dielectric properties of nano-confined water are important in several areas of science, i.e., it is relevant in the dielectric double layer that exists in practically all heterogeneous fluid-based systems. Molecular dynamics simulations are used to predict the in-plane dielectric properties of confined water in planar channels of width ranging from sub-nanometer to bulk. Because of suppressed rotational degrees of freedom near the confining walls, the dipole of the water molecules tends to be aligned parallel to the walls, which results in a strongly enhanced in-plane dielectric constant (epsilon (parallel to)) reaching values of about 120 for channels with height 8 angstrom < h < 10 angstrom. With the increase in the width of the channel, we predict that epsilon (parallel to) decreases nonlinearly and reaches the bulk value for h > 70 angstrom. A stratified continuum model is proposed that reproduces the h > 10 angstrom dependence of epsilon (parallel to). For sub-nanometer height channels, abnormal behavior of epsilon (parallel to) is found with two orders of magnitude reduction of epsilon (parallel to) around h similar to 7.5 angstrom, which is attributed to the formation of a particular ice phase that exhibits long-time (similar to mu s) stable ferroelectricity. This is of particular importance for the understanding of the influence of confined water on the functioning of biological systems. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000629831900001 |
Publication Date |
2021-03-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
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ISSN |
0021-9606 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.965 |
Times cited |
13 |
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 2.965 |
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Call Number |
UA @ admin @ c:irua:177579 |
Serial |
6967 |
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| Permanent link to this record |
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Author |
Pourbabak, S.; Montero-Sistiaga, M.L.; Schryvers, D.; Van Humbeeck, J.; Vanmeensel, K. |
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Title |
Microscopic investigation of as built and hot isostatic pressed Hastelloy X processed by Selective Laser Melting |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Materials characterization |
Abbreviated Journal |
Mater Charact |
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Volume |
153 |
Issue |
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Pages |
366-371 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Microstructural characteristics of Hastelloy X produced by Selective Laser Melting have been investigated by various microscopic techniques in the as built (AB) condition and after hot isostatic pressing (HIP). At sub-grain level the AB material consists of columnar high density dislocation cells while the HIP sample consists of columnar sub-grains with lower dislocation density that originate from the original dislocation cells, contradicting existing models. The sub-grains contain nanoscale precipitates enriched in Al, Ti, Cr and O, located at sub-grain boundaries in the AB condition and within the grains after HIP. At some grain boundaries, micrometer sized chromium carbides are detected after HIP. Micro hardness within the grains was found to decrease after HIP, which was attributed to the decrease in dislocation density due to recovery annealing. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000472696900040 |
Publication Date |
2019-05-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1044-5803 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.714 |
Times cited |
2 |
Open Access |
Not_Open_Access |
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Notes |
S.P. likes to thank the Flemish Science Foundation FWO for financial support under Project G.0366.15N. The authors acknowledge ENGIE Research and Technology Division for the use of the SLM280HL machine and financial support. This work was also made possible through the AUHA13009 grant “TopSPIN for TEM nanostatistics” of the Flemish HERCULES foundation. |
Approved |
Most recent IF: 2.714 |
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Call Number |
EMAT @ emat @UA @ admin @ c:irua:159974 |
Serial |
5178 |
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| Permanent link to this record |
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Author |
Bull, D.; Krekeler, A.; Alfeld, M.; Dik, J.; Janssens, K. |
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Title |
An intrusive portrait by Goya |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
The Burlington magazine |
Abbreviated Journal |
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Volume |
153 |
Issue |
1303 |
Pages |
668-673 |
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Keywords |
A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
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Publication Date |
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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 |
0007-6287; 2044-9925 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
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Open Access |
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Notes |
; ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:93602 |
Serial |
5672 |
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| Permanent link to this record |
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Author |
Bal, K.M.; Fukuhara, S.; Shibuta, Y.; Neyts, E.C. |
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Title |
Free energy barriers from biased molecular dynamics simulations |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Journal Of Chemical Physics |
Abbreviated Journal |
J Chem Phys |
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| |
Volume |
153 |
Issue |
11 |
Pages |
114118 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Atomistic simulation methods for the quantification of free energies are in wide use. These methods operate by sampling the probability density of a system along a small set of suitable collective variables (CVs), which is, in turn, expressed in the form of a free energy surface (FES). This definition of the FES can capture the relative stability of metastable states but not that of the transition state because the barrier height is not invariant to the choice of CVs. Free energy barriers therefore cannot be consistently computed from the FES. Here, we present a simple approach to calculate the gauge correction necessary to eliminate this inconsistency. Using our procedure, the standard FES as well as its gauge-corrected counterpart can be obtained by reweighing the same simulated trajectory at little additional cost. We apply the method to a number of systems—a particle solvated in a Lennard-Jones fluid, a Diels–Alder reaction, and crystallization of liquid sodium—to demonstrate its ability to produce consistent free energy barriers that correctly capture the kinetics of chemical or physical transformations, and discuss the additional demands it puts on the chosen CVs. Because the FES can be converged at relatively short (sub-ns) time scales, a free energy-based description of reaction kinetics is a particularly attractive option to study chemical processes at more expensive quantum mechanical levels of theory. |
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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 |
000574665600004 |
Publication Date |
2020-09-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-9606 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.4 |
Times cited |
|
Open Access |
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Notes |
Japan Society for the Promotion of Science, 19H02415 18J22727 ; Fonds Wetenschappelijk Onderzoek, 12ZI420N ; This work was supported, in part, by a Grant-in-Aid for Scientific Research (B) (Grant No. 19H02415) and Grant-in-Aid for a JSPS Research Fellow (Grant No. 18J22727) from the Japan Society for the Promotion of Science (JSPS), Japan. K.M.B. was funded as a junior postdoctoral fellow of the FWO (Research Foundation – Flanders), Grant No. 12ZI420N. S.F. was supported by JSPS through the Program for Leading Graduate Schools (MERIT). The computational resources and services used in this work were provided by the HPC core facility CalcUA of the Universiteit Antwerpen, and VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government. The authors are grateful to Pablo Piaggi for making the pair entropy CV code publicly available. |
Approved |
Most recent IF: 4.4; 2020 IF: 2.965 |
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Call Number |
PLASMANT @ plasmant @c:irua:172456 |
Serial |
6420 |
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Author |
Larraín, M.; Billen, P.; Van Passel, S. |
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Title |
The effect of plastic packaging recycling policy interventions as a complement to extended producer responsibility schemes : a partial equilibrium model |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Waste Management |
Abbreviated Journal |
Waste Manage |
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Volume |
153 |
Issue |
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Pages |
355-366 |
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Keywords |
A1 Journal article; Engineering Management (ENM); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) |
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Abstract |
Extended producer responsibility (EPR) schemes have effectively increased the plastic waste that is separately collected. However, due to the structure of the recycling industry, EPR cannot increase recycling rates up to the target levels.Additional policy instruments to increase recycling rates such as recycled content targets, green dot fees bonus for recycled content, recycling targets and taxes on non-recycled plastic packaging have been discussed on a political level in the last years. However, very little research has quantitatively studied the effectiveness of these policy interventions.Using a partial equilibrium model, this paper examines the effectiveness of the implementation of the aforementioned policy instruments to increase recycling rates and the impact on different stakeholders of the value chain: plastic producers, consumers, producer responsibility organization and recyclers.Results show that direct interventions (recycled content standards and recycling targets) have the benefit of decoupling the recycling industry from external markets such as the oil market. They can be a good starting point to increase recycling, but in the long term they may be restricting by not presenting incentives to achieve recycling levels beyond the targeted amounts and by limiting technological innovation. On the contrary, eco-nomic interventions such as a green dot fee bonus or a packaging tax create economic incentives for recycling. However, these incentives are diminished by the lower perceived quality of packaging with higher recycled content levels. |
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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 |
000868915000004 |
Publication Date |
2022-09-30 |
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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 |
0956-053x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.1 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 8.1 |
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Call Number |
UA @ admin @ c:irua:191367 |
Serial |
7370 |
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Author |
Pshirkov, J.S.; Kazakov, S.M.; Abakumov, A.M.; Putilin, S.N.; Antipov, E.V.; Bougerol-Chaillout, C.; Lebedev, O.I.; Van Tendeloo, G. |
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Title |
Synthesis and characterization of new phases: Sr3.75K1.75Bi3O12 and Sr3.1Na2.9Bi3O12 |
Type |
A1 Journal article |
| |
Year |
2000 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
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Volume |
152 |
Issue |
2 |
Pages |
492-502 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000088056400025 |
Publication Date |
2002-09-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-4596; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.299 |
Times cited |
2 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.299; 2000 IF: 1.527 |
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Call Number |
UA @ lucian @ c:irua:54706 |
Serial |
3414 |
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| Permanent link to this record |
