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Records |
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Author |
Margui, E.; Van Grieken, R. |
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Title |
Overview of most commonly used analytical techniques for elemental analysis |
Type |
A3 Journal article |
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Year  |
2014 |
Publication |
Petro Industry News |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
8-10 |
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Keywords |
A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Edition |
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ISSN |
1472-0590 |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:114599 |
Serial |
8352 |
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Author |
Piñera Hernández, I. |
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Title |
Simulation of atom displacements induced by photons and electrons in solids |
Type |
Doctoral thesis |
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Year |
2014 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
137 p. |
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Keywords |
Doctoral thesis; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Additional Links |
UA library record |
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Impact Factor |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:116687 |
Serial |
8526 |
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Author |
Van de Voorde, L.; Vandevijvere, M.; Vekemans, B.; Van Pevenage, J.; Caen, J.; Vandenabeele, P.; van Espen, P.; Vincze, L. |
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Title |
Study of a unique 16th century Antwerp majolica floor in the Rameyenhof castle's chapel by means of X-ray fluorescence and portable Raman analytical instrumentation |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Spectrochimica acta: part B : atomic spectroscopy |
Abbreviated Journal |
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Volume |
102 |
Issue |
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Pages |
28-35 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES) |
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Abstract |
The most unique and only known 16th century Antwerp majolica tile floor in Belgium is situated in a tower of the Rameyenhof castle (Gestel, Belgium). This exceptional work of art has recently been investigated in situ by using X-ray fluorescence (XRF) and Raman spectroscopy in order to study the material characteristics. This study reports on the result of the analyses based on the novel combination of non-destructive and portable instrumentation, including a handheld XRF spectrometer for obtaining elemental information and a mobile Raman spectrometer for retrieving structural and molecular information on the floor tiles in the Rameyenhof castle and on a second, similar medallion, which is stored in the Rubens House museum in Antwerp (Belgium). The investigated material, majolica, is a type of ceramic, which fascinated many people and potters throughout history by its beauty and colourful appearance. In this study the characteristic major/minor and trace element signature of 16th century Antwerp majolica is determined and the pigments used for the colourful paintings present on the floor are identified. Furthermore, based on the elemental fingerprint of the white glaze, and in particular on the presence of zinc in the tiles – an element that was not used for making 16th century majolica – valuable information about the originality of the chapel floor and the two central medallions is acquired. (C) 2014 Elsevier B.V. All rights reserved. |
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Wos |
000347604100005 |
Publication Date |
2014-10-25 |
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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 |
0584-8547; 1873-3565 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:123850 |
Serial |
8592 |
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Author |
Beames, A.; Broekx, S.; Lookman, R.; Touchant, K.; Seuntjens, P. |
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Title |
Sustainability appraisal tools for soil and groundwater remediation : how is the choice of remediation alternative influenced by different sets of sustainability indicators and tool structures? |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
The science of the total environment |
Abbreviated Journal |
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Volume |
470 |
Issue |
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Pages |
954-966 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The state-of-the-science in sustainability assessment of soil and groundwater remediation is evaluated with the application of four decision support systems (DSSs) to a large-scale brownfield revitalization case study. The DSSs were used to perform sustainability appraisals of four technically feasible remediation alternatives proposed for the site. The first stage of the review compares the scope of each tool's sustainability indicators, how these indicators are measured and how the tools differ in terms of standardization and weighting procedures. The second stage of the review compares the outputs from the tools and determines the key factors that result in differing results between tools. The evaluation of indicator sets and tool structures explains why the tools generate differing results. Not all crucial impact areas, as identified by sustainable remediation forums, are thoroughly considered by the tools, particularly with regard to the social and economic aspects of sustainability. Variations in boundary conditions defined between technologies, produce distorted environmental impact results, especially when in-situ and ex-situ technologies are compared. The review draws attention to the need for end users to be aware of which aspects of sustainability are considered, how the aspects are measured and how all aspects are ultimately balanced in the evaluation of potential remediation strategies. Existing tools can be improved by considering different technologies within the same boundary conditions and by expanding indicator sets to include indicators deemed to be relevant by remediation forums. (C) 2013 Elsevier B.V. All rights reserved. |
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Wos |
000331415600102 |
Publication Date |
2013-11-14 |
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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 |
0048-9697; 1879-1026 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:115827 |
Serial |
8628 |
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Author |
Lobovikov-Katz, A.; Moropoulou, A.; Konstanti, A.; Ortiz Calderon, P.; Van Grieken, R.; Worth, S.; Cassar, J.A.; De Angelis, R.; Biscontin, G.; Izzo, F.C. |
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Title |
Tangible versus intangible in e-learning on cultural heritage : from online learning to on-site study of historic sites |
Type |
P1 Proceeding |
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Year |
2014 |
Publication |
Lecture notes in computer science
T2 – 5th EuroMed International Conference, NOV 03-08, 2014, Amathus, CYPRUS |
Abbreviated Journal |
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Volume |
8740 |
Issue |
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Pages |
819-828 |
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Keywords |
P1 Proceeding; Documentation and information; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The revolutionary development in digital theory and technology calls for non-trivial decisions in bridging between the virtual and real worlds. The field of conservation of cultural heritage thus provides various challenges, especially with regards to learning, study and investigation of tangible heritage through applications of intangible ICT technologies. This paper examines the interaction between e-learning, and the actual on-site learning and study of historic buildings and sites, with an emphasis on their visual characteristics. In this context, the paper presents some aspects of application of a methodology which allows basic documentation, monitoring and primary analysis of data on cultural (built) heritage sites by general public through educational process enabled by an e-learning platform. |
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Wos |
000354774500084 |
Publication Date |
2014-11-14 |
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Abbreviated Series Title |
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Edition |
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ISSN |
978-3-319-13694-3; 978-3-319-13695-0; 978-3-319-13694-3; 0302-9743; 1611-3349 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:126395 |
Serial |
8641 |
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Author |
Boënne, W.; Desmet, N.; Van Looy, S.; Seuntjens, P. |
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Title |
Use of online water quality monitoring for assessing the effects of WWTP overflows in rivers |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Environmental science : processes & impacts |
Abbreviated Journal |
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Volume |
16 |
Issue |
6 |
Pages |
1510-1518 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The effects on river water quality of sewer overflows are not well known. Since the duration of the overflow is in the order of magnitude of minutes to hours, continuous measurements of water quality are needed and traditional grab sampling is unable to quantify the pollution loads. The objective of this paper was to demonstrate the applicability of high frequency measurements for assessing the impacts of waste water treatment plants on the water quality of the receiving surface water. In our in situ water quality monitoring setup, two types of multiparameter sensors mounted on a floating fixed platform were used to determine the dynamics of dissolved oxygen, specific conductivity, ammonium-N, nitrate-N and dissolved organic carbon downstream of a waste water treatment plant (WWTP), in combination with data on rainfall, river discharge and WWTP overflow discharge. The monitoring data for water quantity and water quality were used to estimate the pollution load from waste water overflow events and to assess the impact of waste water overflows on the river water quality. The effect of sewer overflow on a small river in terms of N load was shown to be significant. The WWTP overflow events accounted for about 1/3 of the river discharge. The NH4-N loads during overflow events contributed 29% and 21% to the August 2010 and June 2011 load, respectively, in only 8% and 3% of the monthly time span. The results indicate that continuous monitoring is needed to accurately represent the effects of sewer overflows in river systems. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000336841600031 |
Publication Date |
2014-03-18 |
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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 |
2050-7887; 2050-7895 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:118390 |
Serial |
8722 |
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| Permanent link to this record |
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Author |
Kolev, S.; Bogaerts, A. |
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Title |
A 2D model for a gliding arc discharge |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
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Volume |
24 |
Issue |
24 |
Pages |
015025 |
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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 study we report on a 2D fluid model of a gliding arc discharge in argon. Despite the 3D nature of the discharge, 2D models are found to be capable of providing very useful information about the operation of the discharge. We employ two modelsan axisymmetric and a Cartesian one. We show that for the considered experiment and the conditions of a low current arc (around 30 mA) in argon, there is no significant heating of the cathode surface and the discharge is sustained by field electron emission from the cathode accompanied by the formation of a cathode spot. The obtained discharge power and voltage are relatively sensitive to the surface properties and particularly to the surface roughness, causing effectively an amplification of the normal electric field. The arc body and anode region are not influenced by this and depend mainly on the current value. The gliding of the arc is modelled by means of a 2D Cartesian model. The arcelectrode contact points are analysed and the gliding mechanism along the electrode surface is discussed. Following experimental observations, the cathode spot is simulated as jumping from one point to another. A complete arc cycle is modelled from initial ignition to arc decay. The results show that there is no interaction between the successive gliding arcs. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Institute of Physics |
Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000348298200026 |
Publication Date |
2014-12-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0963-0252;1361-6595; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.302 |
Times cited |
34 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.302; 2015 IF: 3.591 |
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Call Number |
c:irua:122538 c:irua:122538 c:irua:122538 c:irua:122538 |
Serial |
3 |
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Author |
Tyablikov, O.A.; Batuk, D.; Tsirlin, A.A.; Batuk, M.; Verchenko, V.Y.; Filimonov, D.S.; Pokholok, K.V.; Sheptyakov, D.V.; Rozova, M.G.; Hadermann, J.; Antipov, E.V.; Abakumov, A.M.; |
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Title |
{110}-Layered B-cation ordering in the anion-deficient perovskite Pb2.4Ba2.6Fe2Sc2TiO13 with the crystallographic shear structure |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Journal of the Chemical Society : Dalton transactions |
Abbreviated Journal |
Dalton T |
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Volume |
44 |
Issue |
44 |
Pages |
10753-10762 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
A novel anion-deficient perovskite-based compound, Pb2.4Ba2.6Fe2Sc2TiO13, was synthesized via the citrate-based route. This compound is an n = 5 member of the A(n)B(n)O(3n-2) homologous series with unit-cell parameters related to the perovskite subcell a(p) approximate to 4.0 angstrom as a(p)root 2 x a(p) x 5a(p)root 2. The crystal structure of Pb2.4Ba2.6Fe2Sc2TiO13 consists of quasi-2D perovskite blocks with a thickness of three octahedral layers separated by the 1/2[110]((1) over bar 01)(p) crystallographic shear (CS) planes, which are parallel to the {110} plane of the perovskite subcell. The CS planes transform the corner-sharing octahedra into chains of edge-sharing distorted tetragonal pyramids. Using a combination of neutron powder diffraction, Fe-57 Mossbauer spectroscopy and atomic resolution electron energy-loss spectroscopy we demonstrate that the B-cations in Pb2.4Ba2.6Fe2Sc2TiO13 are ordered along the {110} perovskite layers with Fe3+ in distorted tetragonal pyramids along the CS planes, Ti4+ preferentially in the central octahedra of the perovskite blocks and Sc3+ in the outer octahedra of the perovskite blocks. Magnetic susceptibility and Mossbauer spectroscopy indicate a broadened magnetic transition around T-N similar to 45 K and the onset of local magnetic fields at low temperatures. The magnetic order is probably reminiscent of that in other A(n)B(n)O(3n-2) homologues, where G-type AFM order within the perovskite blocks has been observed. |
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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 |
000355701000026 |
Publication Date |
2015-01-26 |
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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 |
1477-9226;1477-9234; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.029 |
Times cited |
1 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.029; 2015 IF: 4.197 |
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Call Number |
c:irua:127001 |
Serial |
22 |
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| Permanent link to this record |
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Author |
Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D. |
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Title |
Ab initio study of shallow acceptors in bixbyite V2O3 |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
117 |
Issue |
117 |
Pages |
015703 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
We present the results of our study on p-type dopability of bixbyite V2O3 using the Heyd, Scuseria, and Ernzerhof hybrid functional (HSE06) within the density functional theory (DFT) formalism. We study vanadium and oxygen vacancies as intrinsic defects and substitutional Mg, Sc, and Y as extrinsic defects. We find that Mg substituting V acts as a shallow acceptor, and that oxygen vacancies are electrically neutral. Hence, we predict Mg-doped V2O3 to be a p-type conductor. Our results also show that vanadium vacancies are relatively shallow, with a binding energy of 0.14 eV, so that they might also lead to p-type conductivity. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000347958600067 |
Publication Date |
2015-01-05 |
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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 |
0021-8979;1089-7550; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.068 |
Times cited |
3 |
Open Access |
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Notes |
FWO G015013; Hercules |
Approved |
Most recent IF: 2.068; 2015 IF: 2.183 |
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Call Number |
c:irua:122728 |
Serial |
35 |
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Author |
Amin-Ahmadi, B. |
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Title |
Adanced TEM investigation of the elementary plsticity mechanisms in palladium thin films at the nano scale |
Type |
Doctoral thesis |
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Year |
2015 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
Doctoral thesis; 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 |
Antwerpen |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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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 |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:125236 |
Serial |
56 |
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Author |
Huygh, S.; Neyts, E.C. |
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Title |
Adsorption of C and CHx radicals on anatase (001) and the influence of oxygen vacancies |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
119 |
Issue |
119 |
Pages |
4908-4921 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The adsorption of C and CHx radicals on anatase (001) was studied using DFT within the generalized gradient approximation using the Perde-Burke-Ernzerhof (PBE) functional. We have studied the influence of oxygen vacancies in and at the surface on the adsorption properties of the radicals. For the oxygen vacancies in anatase (001), the most stable vacancy is located at the surface. For this vacancy, the maximal adsorption strength of C and CH decreases compared to the adsorption on the stoichiometric surface, but it increases for CH2 and CH3. If an oxygen vacancy is present in the first subsurface layer, the maximal adsorption strength increases for C, CH, CH2, and CH3. When the vacancy is present in the next subsurface layer, we find that only the CH3 adsorption is enhanced, while the maximal adsorption energies for the other radical species decrease. Not only does the precise location of the oxygen vacancy determine the maximal adsorption interaction, it also influences the adsorption strengths of the radicals at different surface configurations. This determines the probability of finding a certain adsorption configuration at the surface, which in turn influences the possible surface reactions. We find that C preferentially adsorbs far away from the oxygen vacancy, while CH2 and CH3 adsorb preferentially at the oxygen vacancy site. A fraction of CH partially adsorbs at the oxygen vacancy, and another fraction adsorbs further away from the vacancy. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000350840700052 |
Publication Date |
2015-02-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-7447;1932-7455; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
13 |
Open Access |
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|
| |
Notes |
|
Approved |
Most recent IF: 4.536; 2015 IF: 4.772 |
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| |
Call Number |
c:irua:124909 |
Serial |
63 |
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| Permanent link to this record |
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Author |
Schryvers, D. |
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| |
Title |
Advanced electron microscopy characterisation of important precipitation and ordering phenomena in shape memory systems |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Shape memory and superelasticity |
Abbreviated Journal |
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|
| |
Volume |
1 |
Issue |
1 |
Pages |
78-84 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
The present paper discusses some important aspects of precipitation and ordering in alloy systems that show a martensitic transformation and can or are used as shape memory or superelastic metallic systems. The precipitates are investigated by a variety of conventional and advanced electron microscopy techniques, including atomic resolution, 3D slice-and-view, energy loss spectroscopy etc. Depending on the system, such secondary phases can decrease the probability of a displacive transformation by changing the phase stability in the system, such as in the case of NiAl or NiTiPd, or can mechanically hinder the passage of the transformation interface, as in NiTiNb. On the other hand, properly controlling the nucleation and growth of some precipitates can strongly improve the properties of some types of materials, as is the case for the well-known Ni4Ti3 precipitates. |
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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 |
000432420400008 |
Publication Date |
2015-04-20 |
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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 |
2199-384X;2199-3858; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
Fwo |
Approved |
Most recent IF: NA |
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| |
Call Number |
c:irua:127684 |
Serial |
69 |
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| Permanent link to this record |
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Author |
Lentijo-Mozo, S.; Tan, R.P.; Garcia-Marcelot, C.; Altantzis, T.; Fazzini, P.F.; Hungria, T.; Cormary, B.; Gallagher, J.R.; Miller, J.T.; Martinez, H.; Schrittwieser, S.; Schotter, J.; Respaud, M.; Bals, S.; Van Tendeloo, G.; Gatel, C.; Soulantica, K. |
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Title |
Air- and water-resistant noble metal coated ferromagnetic cobalt nanorods |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
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| |
Volume |
9 |
Issue |
9 |
Pages |
2792-2804 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Cobalt nanorods possess ideal magnetic properties for applications requiring magnetically hard nanoparticles. However, their exploitation is undermined by their sensitivity toward oxygen and water, which deteriorates their magnetic properties. The development of a continuous metal shell inert to oxidation could render them stable, opening perspectives not only for already identified applications but also for uses in which contact with air and/or aqueous media is inevitable. However, the direct growth of a conformal noble metal shell on magnetic metals is a challenge. Here, we show that prior treatment of Co nanorods with a tin coordination compound is the crucial step that enables the subsequent growth of a continuous noble metal shell on their surface, rendering them air- and water-resistant, while conserving the monocrystallity, metallicity and the magnetic properties of the Co core. Thus, the as-synthesized coreshell ferromagnetic nanorods combine high magnetization and strong uniaxial magnetic anisotropy, even after exposure to air and water, and hold promise for successful implementation in in vitro biodiagnostics requiring probes of high magnetization and anisotropic 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 |
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Editor |
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Language |
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Wos |
000351791800055 |
Publication Date |
2015-03-03 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
1936-0851;1936-086X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
13.942 |
Times cited |
25 |
Open Access |
OpenAccess |
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| |
Notes |
312483 Esteem2; 246791 Countatoms; 335078 Colouratom; esteem2ta; ECASSara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 13.942; 2015 IF: 12.881 |
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| |
Call Number |
c:irua:125380 c:irua:125380 |
Serial |
87 |
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| Permanent link to this record |
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Author |
Van de Put, M.L.; Vandenberghe, W.G.; Magnus, W.; Sorée, B. |
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Title |
An envelope function formalism for lattice-matched heterostructures |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Physica: B : condensed matter |
Abbreviated Journal |
Physica B |
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| |
Volume |
470-471 |
Issue |
470-471 |
Pages |
69-75 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The envelope function method traditionally employs a single basis set which, in practice, relates to a single material because the k.p matrix elements are generally only known in a particular basis. In this work, we defined a basis function transformation to alleviate this restriction. The transformation is completely described by the known inter-band momentum matrix elements. The resulting envelope function equation can solve the electronic structure in lattice matched heterostructures without resorting to boundary conditions at the interface between materials, while all unit-cell averaged observables can be calculated as with the standard envelope function formalism. In the case of two coupled bands, this heterostructure formalism is equivalent to the standard formalism while taking position dependent matrix elements. (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 |
Amsterdam |
Editor |
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Language |
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Wos |
000355149600011 |
Publication Date |
2015-04-26 |
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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 |
0921-4526; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.386 |
Times cited |
5 |
Open Access |
|
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| |
Notes |
; ; |
Approved |
Most recent IF: 1.386; 2015 IF: 1.319 |
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Call Number |
c:irua:126397 |
Serial |
95 |
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| Permanent link to this record |
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Author |
Pfannmöller, M.; Heidari, H.; Nanson, L.; Lozman, O.R.; Chrapa, M.; Offermans, T.; Nisato, G.; Bals, S. |
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Title |
Quantitative Tomography of Organic Photovoltaic Blends at the Nanoscale |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
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| |
Volume |
15 |
Issue |
15 |
Pages |
6634-6642 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
The success of semiconducting organic materials has enabled green technologies for electronics, lighting, and photovoltaics. However, when blended together, these materials have also raised novel fundamental questions with respect to electronic, optical, and thermodynamic properties. This is particularly important for organic photovoltaic cells based on the bulk heterojunction. Here, the distribution of nanoscale domains plays a crucial role depending on the specific device structure. Hence, correlation of the aforementioned properties requires 3D nanoscale imaging of materials domains, which are embedded in a multilayer device. Such visualization has so far been elusive due to lack of contrast, insufficient signal, or resolution limits. In this Letter, we introduce spectral scanning transmission electron tomography for reconstruction of entire volume plasmon spectra from rod-shaped specimens. We provide 3D structural correlations and compositional mapping at a resolution of approximately 7 nm within advanced organic photovoltaic tandem cells. Novel insights that are obtained from quantitative 3D analyses reveal that efficiency loss upon thermal annealing can be attributed to subtle, fundamental blend properties. These results are invaluable in guiding the design and optimization of future devices in plastic electronics applications and provide an empirical basis for modeling and simulation of organic solar cells. |
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Address |
EMAT-University of Antwerp , Groenenborgerlaan 171, B-2020 Antwerp, Belgium |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
English |
Wos |
000363003100052 |
Publication Date |
2015-09-21 |
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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 |
1530-6984;1530-6992; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
12.712 |
Times cited |
26 |
Open Access |
OpenAccess |
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| |
Notes |
This work was supported by the FP7 European collaborative project SUNFLOWER (FP7-ICT-2011-7-contract num. 287594). S.B. acknowledges financial support from European Research Council (ERC Starting Grant #335078-COLOURATOMS). M.P. gratefully acknowledges the SIM NanoForce program for their financial support. We acknowledge AGFA for providing the neutral PEDOT:PSS and GenesInk for the ZnO nanoparticles. We would like to thank Stijn Van den broeck for extensive support on FIB sample preparation. M.P. and H.H. thank Daniele Zanaga for the many fruitful discussions.; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 12.712; 2015 IF: 13.592 |
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Call Number |
c:irua:129423 c:irua:129423 |
Serial |
3973 |
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| Permanent link to this record |
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Author |
Cambré, S.; Campo, J.; Beirnaert, C.; Verlackt, C.; Cool, P.; Wenseleers, W. |
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| |
Title |
Asymmetric dyes align inside carbon nanotubes to yield a large nonlinear optical response |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Nature nanotechnology |
Abbreviated Journal |
Nat Nanotechnol |
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| |
Volume |
10 |
Issue |
10 |
Pages |
248-252 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Nanostructured and organic optical and electronic materials (NANOrOPT); Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
Asymmetric dye molecules have unusual optical and electronic properties1, 2, 3. For instance, they show a strong second-order nonlinear optical (NLO) response that has attracted great interest for potential applications in electro-optic modulators for optical telecommunications and in wavelength conversion of lasers2, 3. However, the strong Coulombic interaction between the large dipole moments of these molecules favours a pairwise antiparallel alignment that cancels out the NLO response when incorporated into bulk materials. Here, we show that by including an elongated dipolar dye (p,p′-dimethylaminonitrostilbene, DANS, a prototypical asymmetric dye with a strong NLO response4) inside single-walled carbon nanotubes (SWCNTs)5, 6, an ideal head-to-tail alignment in which all electric dipoles point in the same sense is naturally created. We have applied this concept to synthesize solution-processible DANS-filled SWCNTs that show an extremely large total dipole moment and static hyperpolarizability (β0 = 9,800 × 10−30 e.s.u.), resulting from the coherent alignment of arrays of ∼70 DANS molecules. |
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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 |
000350799700016 |
Publication Date |
2015-02-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1748-3387;1748-3395; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
38.986 |
Times cited |
46 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 38.986; 2015 IF: 34.048 |
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Call Number |
c:irua:125405 |
Serial |
158 |
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| Permanent link to this record |
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Author |
Quan Manh, P.; Pourtois, G.; Swerts, J.; Pierloot, K.; Delabie, A. |
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Title |
Atomic layer deposition of Ruthenium on Ruthenium surfaces : a theoretical study |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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| |
Volume |
119 |
Issue |
119 |
Pages |
6592-6603 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Atomic, layer deposition,(ALD of ruthenium using two ruthenium precursors, i.e., Ru(C5H5)(2) (RuCp2) and Ru(C5H5)(C4H4N) (RuCpPy), is studied using density functional theory. By investigating the reaction mechanisms On bare ruthenium surfaces, i.e., (001), (101), and (100), and H-terminated surfaces, an atomistic insight in the Ru ALD is provided. The calculated results show that on the Ru surfaces both RuCp2 and RuCpPy an undergo dehydrogenation and ligand dissociation reactions. RuCpPy is more reactive than RuCp2. By forming a, strong, bond between N of Py and Ru of the surface, RuCpPy can easily chemisorb on the surfaces. The reactions of RuCp2,On the Surfaces are less favorable the adsorption is not strong enough This could be a,factor contributing to the higher growth-per-cycle of Ru using RuCpPy, as observed experimentally. By Studying, the adsorption on H-terminated Ru surfaces, We showed that H Can prevent the adsorption of the precursors, thus inhibiting the growth of Ru. Our calculations indicate that the H content on the surface can have an impact on the growth-per-cycle. Finally, our simulations also demonstrate large impacts of the surface structure on the reaction mechanisms. Of the three surfaces, the (100) surface, which is the less stable and has a zigzag surface structure, is also the most reactive one. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000351970800015 |
Publication Date |
2015-03-04 |
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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 |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.536 |
Times cited |
10 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 4.536; 2015 IF: 4.772 |
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Call Number |
c:irua:125544 |
Serial |
171 |
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| Permanent link to this record |
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Author |
Leus, K.; Concepcion, P.; Vandichel, M.; Meledina, M.; Grirrane, A.; Esquivel, D.; Turner, S.; Poelman, D.; Waroquier, M.; Van Speybroeck, V.; Van Tendeloo, G.; García, H.; Van Der Voort, P.; |
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Title |
Au@UiO-66 : a base free oxidation catalyst |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
RSC advances |
Abbreviated Journal |
Rsc Adv |
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| |
Volume |
5 |
Issue |
5 |
Pages |
22334-22342 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We present the in situ synthesis of Au nanoparticles within the Zr based Metal Organic Framework, UiO-66. The resulting Au@UiO-66 materials were characterized by means of N-2 sorption, XRPD, UV-Vis, XRF, XPS and TEM analysis. The Au nanoparticles (NP) are homogeneously distributed along the UiO-66 host matrix when using NaBH4 or H-2 as reducing agents. The Au@UiO-66 materials were evaluated as catalysts in the oxidation of benzyl alcohol and benzyl amine employing O-2 as oxidant. The Au@MOF materials exhibit a very high selectivity towards the ketone (up to 100%). Regenerability and stability tests demonstrate that the Au@UiO-66 catalyst can be recycled with a negligible loss of Au species and no loss of crystallinity. In situ IR measurements of UiO-66 and Au@UiO-66-NaBH4, before and after treatment with alcohol, showed an increase in IR bands that can be assigned to a combination of physisorbed and chemisorbed alcohol species. This was confirmed by velocity power spectra obtained from the molecular dynamics simulations. Active peroxo and oxo species on Au could be visualized with Raman analysis. |
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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 |
000350643700005 |
Publication Date |
2015-02-19 |
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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 |
2046-2069; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.108 |
Times cited |
38 |
Open Access |
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| |
Notes |
FWO; Hercules; 246791 COUNTATOMS; IAP-PAI |
Approved |
Most recent IF: 3.108; 2015 IF: 3.840 |
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Call Number |
c:irua:125431 |
Serial |
207 |
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| Permanent link to this record |
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Author |
Ullah, S.; Hussain, A.; Syed, W.A.; Saqlain, M.A.; Ahmad, I.; Leenaerts, O.; Karim, A. |
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Title |
Band-gap tuning of graphene by Be doping and Be, B co-doping : a DFT study |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
RSC advances |
Abbreviated Journal |
Rsc Adv |
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| |
Volume |
5 |
Issue |
5 |
Pages |
55762-55773 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
First-principles density functional theory (DFT) calculations were carried out to investigate the structural and electronic properties of beryllium (Be) doped and Be and boron (B) co-doped graphene systems. We observed that not only the concentration of impurity atoms is important to tune the band-gap to some desired level, but also the specific substitution sites play a key role. In our system, which consists of 32 atoms, a maximum of 4Be and, in the co-doped state, 2Be and 3B atom substitutions are investigated. Both dopants are electron deficient relative to C atoms and cause the Fermi level to shift downward (p-type doping). A maximum band gap of 1.44 eV can be achieved on incorporation of 4Be atoms. The introduction of Be is more sensitive in terms of geometry and stability than B. However, in opening the energy gap, Be is more effective than B and N (nitrogen). Our results offer the possibility to modify the band-gap of graphene sufficiently for utilization in diverse electronic device applications. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000357803200018 |
Publication Date |
2015-06-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
2046-2069; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.108 |
Times cited |
33 |
Open Access |
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| |
Notes |
; ; |
Approved |
Most recent IF: 3.108; 2015 IF: 3.840 |
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Call Number |
c:irua:127167 |
Serial |
216 |
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| Permanent link to this record |
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Author |
Lu, Y.-G.; Turner, S.; Ekimov, E.A.; Verbeeck, J.; Van Tendeloo, G. |
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Title |
Boron-rich inclusions and boron distribution in HPHT polycrystalline superconducting diamond |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
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| |
Volume |
86 |
Issue |
86 |
Pages |
156-162 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Polycrystalline boron-doped superconducting diamond, synthesized at high pressure and high temperature (HPHT) via a reaction of a single piece of crystalline boron with monolithic graphite, has been investigated by analytical transmission electron microscopy. The local boron distribution and boron environment have been studied by a combination of (scanning) transmission electron microscopy ((S)TEM) and spatially resolved electron energy-loss spectroscopy (EELS). High resolution TEM imaging and EELS elemental mapping have established, for the first time, the presence of largely crystalline diamond-diamond grain boundaries within the material and have evidenced the presence of substitutional boron dopants within individual diamond grains. Confirmation of the presence of substitutional B dopants has been obtained through comparison of acquired boron K-edge EELS fine structures with known references. This confirmation is important to understand the origin of superconductivity in polycrystalline B-doped diamond. In addition to the substitutional boron doping, boron-rich inclusions and triple-points, both amorphous and crystalline, with chemical compositions close to boron carbide B4C, are evidenced. (C) 2015 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 |
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Place of Publication |
Oxford |
Editor |
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| |
Language |
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Wos |
000352922700019 |
Publication Date |
2015-01-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
6.337 |
Times cited |
20 |
Open Access |
|
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| |
Notes |
FWO; 246791 COUNTATOMS; 278510 VORTEX; Hercules ECASJO_; |
Approved |
Most recent IF: 6.337; 2015 IF: 6.196 |
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| |
Call Number |
c:irua:125994UA @ admin @ c:irua:125994 |
Serial |
250 |
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| Permanent link to this record |
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Author |
Dantas, D.S.; Lima, A.R.P.; Chaves, A.; Almeida, C.A.S.; Farias, G.A.; Milošević, M.V. |
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Title |
Bound vortex states and exotic lattices in multicomponent Bose-Einstein condensates : the role of vortex-vortex interaction |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Physical review : A : atomic, molecular and optical physics |
Abbreviated Journal |
Phys Rev A |
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| |
Volume |
91 |
Issue |
91 |
Pages |
023630 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
We numerically study the vortex-vortex interaction in multicomponent homogeneous Bose-Einstein condensates within the realm of the Gross-Pitaevskii theory. We provide strong evidence that pairwise vortex interaction captures the underlying mechanisms which determine the geometric configuration of the vortices, such as different lattices in many-vortex states, as well as the bound vortex states with two (dimer) or three (trimer) vortices. Specifically, we discuss and apply our theoretical approach to investigate intra- and intercomponent vortex-vortex interactions in two- and three-component Bose-Einstein condensates, thereby shedding light on the formation of the exotic vortex configurations. These results correlate with current experimental efforts in multicomponent Bose-Einstein condensates and the understanding of the role of vortex interactions in multiband superconductors. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000350255200014 |
Publication Date |
2015-02-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
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Series Issue |
|
Edition |
|
|
| |
ISSN |
1050-2947;1094-1622; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.925 |
Times cited |
12 |
Open Access |
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| |
Notes |
; This work was supported by the National Council for Scientific and Technological Development (CNPq-Brazil), the Coordination for the Improvement of Higher Education Personnel (CAPES-Brazil), Research Foundation Flanders (FWO), and the bilateral FWO-CNPq program between Flanders and Brazil. M.V.M. acknowledges support from the CAPES-PVE program (Grant No. BEX1392/11-5). ; |
Approved |
Most recent IF: 2.925; 2015 IF: 2.808 |
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| |
Call Number |
c:irua:124907 |
Serial |
252 |
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| Permanent link to this record |
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Author |
Zhao, S.-X.; Zhang, Y.-R.; Gao, F.; Wang, Y.-N.; Bogaerts, A. |
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Title |
Bulk plasma fragmentation in a C4F8 inductively coupled plasma : a hybrid modelling study |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
|
| |
Volume |
117 |
Issue |
117 |
Pages |
243303 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
A hybrid model is used to investigate the fragmentation of C4F8 inductive discharges. Indeed, the resulting reactive species are crucial for the optimization of the Si-based etching process, since they determine the mechanisms of fluorination, polymerization, and sputtering. In this paper, we present the dissociation degree, the density ratio of F vs. CxFy (i.e., fluorocarbon (fc) neutrals), the neutral vs. positive ion density ratio, details on the neutral and ion components, and fractions of various fc neutrals (or ions) in the total fc neutral (or ion) density in a C4F8 inductively coupled plasma source, as well as the effect of pressure and power on these results. To analyze the fragmentation behavior, the electron density and temperature and electron energy probability function (EEPF) are investigated. Moreover, the main electron-impact generation sources for all considered neutrals and ions are determined from the complicated C4F8 reaction set used in the model. The C4F8 plasma fragmentation is explained, taking into account many factors, such as the EEPF characteristics, the dominance of primary and secondary processes, and the thresholds of dissociation and ionization. The simulation results are compared with experiments from literature, and reasonable agreement is obtained. Some discrepancies are observed, which can probably be attributed to the simplified polymer surface kinetics assumed in the model. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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| |
Language |
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Wos |
000357613900009 |
Publication Date |
2015-06-30 |
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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 |
0021-8979;1089-7550; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.068 |
Times cited |
11 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 2.068; 2015 IF: 2.183 |
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| |
Call Number |
c:irua:126477 |
Serial |
261 |
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| Permanent link to this record |
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Author |
Aerts, R.; Somers, W.; Bogaerts, A. |
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| |
Title |
Carbon dioxide splitting in a dielectric barrier discharge plasma : a combined experimental and computational study |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Chemsuschem |
Abbreviated Journal |
Chemsuschem |
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| |
Volume |
8 |
Issue |
8 |
Pages |
702-716 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
Plasma technology is gaining increasing interest for the splitting of CO2 into CO and O2. We have performed experiments to study this process in a dielectric barrier discharge (DBD) plasma with a wide range of parameters. The frequency and dielectric material did not affect the CO2 conversion and energy efficiency, but the discharge gap can have a considerable effect. The specific energy input has the most important effect on the CO2 conversion and energy efficiency. We have also presented a plasma chemistry model for CO2 splitting, which shows reasonable agreement with the experimental conversion and energy efficiency. This model is used to elucidate the critical reactions that are mostly responsible for the CO2 conversion. Finally, we have compared our results with other CO2 splitting techniques and we identified the limitations as well as the benefits and future possibilities in terms of modifications of DBD plasmas for greenhouse gas conversion in general. |
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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 |
Weinheim |
Editor |
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Language |
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Wos |
000349954400019 |
Publication Date |
2015-01-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1864-5631; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
7.226 |
Times cited |
131 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 7.226; 2015 IF: 7.657 |
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| |
Call Number |
c:irua:123930 |
Serial |
279 |
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| Permanent link to this record |
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Author |
Paolella, A.; Bertoni, G.; Hovington, P.; Feng, Z.; Flacau, R.; Prato, M.; Colombo, M.; Marras, S.; Manna, L.; Turner, S.; Van Tendeloo, G.; Guerfi, A.; Demopoulos, G.P.; Zaghib, K.; |
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Title |
Cation exchange mediated elimination of the Fe-antisites in the hydrothermal synthesis of LiFePO4 |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Nano energy |
Abbreviated Journal |
Nano Energy |
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| |
Volume |
16 |
Issue |
16 |
Pages |
256-267 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
In this work we elucidate the elimination of mechanism Fe-antisite defects in lithium iron phosphate (LiFePO4) during the hydrothermal synthesis. Compelling evidence of this effect is provided by combining Neutron Powder Diffraction (NPD), High Resolution (Scanning) Transmission Electron Microscopy (HR-(S)TEM), Electron Energy Loss Spectroscopy (EELS), X-Ray Photoelectron Spectroscopy (XPS) and calculations. We found: i) the first intermediate vivianite inevitably creates Fe-antisite defects in LiFePO4; ii) the removal of these antisite defects by cation exchange is assisted by a nanometer-thick amorphous layer, rich in Li, that enwraps the LiFePO4 crystals. |
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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 |
000364579300027 |
Publication Date |
2015-06-19 |
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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 |
2211-2855; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
12.343 |
Times cited |
27 |
Open Access |
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Notes |
The authorswanttoacknowledgeVincentGariepy,Cathe- rine Gagnon,JulieTrottier,DanielClement,Dr.CyrilFaure of IREQ,Dr.GaiaTomaselloofInstitutfürTheoretische PhysikFreieUniversitätBerlinandProf.MichelArmandof CICenergigune forhelpfuldiscussionsandtechnical supports. |
Approved |
Most recent IF: 12.343; 2015 IF: 10.325 |
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| |
Call Number |
c:irua:127688 |
Serial |
296 |
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| Permanent link to this record |
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Author |
Van Tendeloo, L.; Wangermez, W.; Kurttepeli, M.; de Blochouse, B.; Bals, S.; Van Tendeloo, G.; Martens, J.A.; Maes, A.; Kirschhock, C.E.A.; Breynaert, E. |
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Title |
Chabazite : stable cation-exchanger in hyper alkaline concrete pore water |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Environmental science and technology |
Abbreviated Journal |
Environ Sci Technol |
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| |
Volume |
49 |
Issue |
49 |
Pages |
2358-2365 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
To avoid impact on the environment, facilities for permanent disposal of hazardous waste adopt multibarrier design schemes. As the primary barrier very often consists of cement-based materials, two distinct aspects are essential for the selection of suitable complementary barriers: (1) selective sorption of the contaminants in the repository and (2) long-term chemical stability in hyperalkaline concrete-derived media. A multidisciplinary approach combining experimental strategies from environmental chemistry and materials science is therefore essential to provide a reliable assessment of potential candidate materials. Chabazite is typically synthesized in 1 M KOH solutions but also crystallizes in simulated young cement pore water, a pH 13 aqueous solution mainly containing K+ and Na+ cations. Its formation and stability in this medium was evaluated as a function of temperature (60 and 85 °C) over a timeframe of more than 2 years and was also asessed from a mechanistic point of view. Chabazite demonstrates excellent cation-exchange properties in simulated young cement pore water. Comparison of its Cs+ cation exchange properties at pH 8 and pH 13 unexpectedly demonstrated an increase of the KD with increasing pH. The combined results identify chabazite as a valid candidate for inclusion in engineered barriers for concrete-based waste disposal. |
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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 |
Easton, Pa |
Editor |
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Language |
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Wos |
000349806400047 |
Publication Date |
2015-01-08 |
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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 |
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Series Issue |
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Edition |
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| |
ISSN |
0013-936X;1520-5851; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
6.198 |
Times cited |
13 |
Open Access |
OpenAccess |
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Notes |
This work was supported by long-term structural funding by the Flemish Government (Methusalem) and by ONDRAF/ NIRAS, the Belgian Agency for Radioactive Waste and Fissile Materials, as part of the program on surface disposal of Belgian Category A waste. The Belgian government is acknowledged for financing the interuniversity poles of attraction (IAP-PAI). G.V.T. and S.B. acknowledge financial support from European Research Council (ERC Advanced Grant no. 24691-COUNTATOMS, ERC Starting Grant no. 335078-COLOURATOMS).; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 6.198; 2015 IF: 5.330 |
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| |
Call Number |
c:irua:127695 |
Serial |
307 |
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| Permanent link to this record |
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Author |
Grujić, M.M.; Tadic, M.Z.; Peeters, F.M. |
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Title |
Chiral properties of topological-state loops |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
91 |
Issue |
91 |
Pages |
245432 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The angular momentum quantization of chiral gapless modes confined to a circularly shaped interface between two different topological phases is investigated. By examining several different setups, we show analytically that the angular momentum of the topological modes exhibits a highly chiral behavior, and can be coupled to spin and/or valley degrees of freedom, reflecting the nature of the interface states. A simple general one-dimensional model, valid for arbitrarily shaped loops, is shown to predict the corresponding energies and the magnetic moments. These loops can be viewed as building blocks for artificial magnets with tunable and highly diverse properties. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000356928200005 |
Publication Date |
2015-06-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
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| |
Notes |
; This work was supported by the Ministry of Education, Science and Technological Development (Serbia), and the Fonds Wetenschappelijk Onderzoek (Belgium). ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
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Call Number |
c:irua:127039 |
Serial |
357 |
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| Permanent link to this record |
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Author |
Hoon Park, J.; Kumar, N.; Hoon Park, D.; Yusupov, M.; Neyts, E.C.; Verlackt, C.C.W.; Bogaerts, A.; Ho Kang, M.; Sup Uhm, H.; Ha Choi, E.; Attri, P.; |
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Title |
A comparative study for the inactivation of multidrug resistance bacteria using dielectric barrier discharge and nano-second pulsed plasma |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
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| |
Volume |
5 |
Issue |
5 |
Pages |
13849 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
Bacteria can be inactivated through various physical and chemical means, and these have always been the focus of extensive research. To further improve the methodology for these ends, two types of plasma systems were investigated: nano-second pulsed plasma (NPP) as liquid discharge plasma and an Argon gas-feeding dielectric barrier discharge (Ar-DBD) as a form of surface plasma. To understand the sterilizing action of these two different plasma sources, we performed experiments with Staphylococcus aureus (S. aureus) bacteria (wild type) and multidrug resistant bacteria (Penicillum-resistant, Methicillin-resistant and Gentamicin-resistant). We observed that both plasma sources can inactivate both the wild type and multidrug-resistant bacteria to a good extent. Moreover, we observed a change in the surface morphology, gene expression and β-lactamase activity. Furthermore, we used X-ray photoelectron spectroscopy to investigate the variation in functional groups (C-H/C-C, C-OH and C=O) of the peptidoglycan (PG) resulting from exposure to plasma species. To obtain atomic scale insight in the plasma-cell interactions and support our experimental observations, we have performed molecular dynamics simulations to study the effects of plasma species, such as OH, H2O2, O, O3, as well as O2 and H2O, on the dissociation/formation of above mentioned functional groups in PG. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Nature Publishing Group |
Place of Publication |
London |
Editor |
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Language |
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Wos |
000360909000001 |
Publication Date |
2015-09-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2045-2322; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.259 |
Times cited |
32 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 4.259; 2015 IF: 5.578 |
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Call Number |
c:irua:127410 |
Serial |
419 |
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| Permanent link to this record |
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Author |
Javon, E.; Gaceur, M.; Dachraoui, W.; Margeat, O.; Ackermann, J.; Ilenia Saba, M.; Delugas, P.; Mattoni, A.; Bals, S.; Van Tendeloo, G. |
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Title |
Competing forces in the self-assembly of coupled ZnO nanopyramids |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
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Volume |
9 |
Issue |
9 |
Pages |
3685-3694 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Self-assembly (SA) of nanostructures has recently gained increasing interest. A clear understanding of the process is not straightforward since SA of nanoparticles is a complex multiscale phenomenon including different driving forces. Here, we study the SA between aluminum doped ZnO nanopyramids into couples by combining inorganic chemistry and advanced electron microscopy techniques with atomistic simulations. Our results show that the SA of the coupled nanopyramids is controlled first by morphology, as coupling only occurs in the case of pyramids with well-developed facets of the basal planes. The combination of electron microscopy and atomistic modeling reveals that the coupling is further driven by strong ligandligand interaction between the bases of the pyramids as dominant force, while screening effects due to Al doping or solvent as well as corecore interaction are only minor contributions. Our combined approach provides a deeper understanding of the complex interplay between the interactions at work in the coupled SA of ZnO nanopyramids. |
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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 |
000353867000030 |
Publication Date |
2015-03-12 |
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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 |
1936-0851;1936-086X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
13.942 |
Times cited |
21 |
Open Access |
OpenAccess |
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| |
Notes |
Esmi; 335078 Colouratom; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 13.942; 2015 IF: 12.881 |
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Call Number |
c:irua:125978 |
Serial |
434 |
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| Permanent link to this record |
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Author |
Ennaert, T.; Geboers, J.; Gobechiya, E.; Courtin, C.M.; Kurttepeli, M.; Houthoofd, K.; Kirschhock, C.E.A.; Magusin, P.C.M.M.; Bals, S.; Jacobs, P.A.; Sels, B.F. |
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Title |
Conceptual frame rationalizing the self-stabilization of H-USY zeolites in hot liquid water |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
ACS catalysis |
Abbreviated Journal |
Acs Catal |
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Volume |
5 |
Issue |
5 |
Pages |
754-768 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The wide range of liquid-phase reactions required for the catalytic conversion of biomass compounds into new bioplatform molecules defines a new set of challenges for the development of active, selective, and stable catalysts. The potential of bifunctional Ru/H-USY catalysts for conversions in hot liquid water (HLW) is assessed in terms of physicochemical stability and long-term catalytic performance of acid sites and noble metal functionality, as probed by hydrolytic hydrogenation of cellulose. It is shown that zeolite desilication is the main zeolite degradation mechanism in HLW. USY zeolite stability depends on two main parameters, viz., framework and extra-framework aluminum content. The former protects the zeolite lattice by counteracting hydrolysis of framework bonds, and the latter, when located at the external crystal surface, prevents solubilization of the zeolite framework which is the result of its low water-solubility. Hence, the hot liquid water stability of commercial H-USY zeolites, in contrast to their steam stability, increased with decreasing Si/AI ratio. As a result, mildly steamed USY zeolites containing a high amount of both Al species exhibit the highest resistance to HLW. During an initial period of transformations, Al-rich zeolites form additional protective extra-framework Al species at the outer surface, self-stabilizing the framework. A critical bulk Si/AI ratio of 3 was determined whereby USY zeolites with a lower Si/AI ratio will self-stabilize over time. Besides, due to the initial transformation period, the accessibility of the catalytic active sites is extensively enhanced resulting in a material that is more stable and drastically more accessible to large substrates than the original zeolite. When these findings are applied in the hydrolytic hydrogenation of cellulose, unprecedented nearly quantitative hexitol yields were obtained with a stable catalytic system. |
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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 |
000349275300031 |
Publication Date |
2014-12-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2155-5435;2155-5435; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
10.614 |
Times cited |
65 |
Open Access |
OpenAccess |
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| |
Notes |
335078 Colouratom; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 10.614; 2015 IF: 9.312 |
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Call Number |
c:irua:125288 |
Serial |
474 |
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| Permanent link to this record |
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Author |
Zhang, F.; Vanmeensel, K.; Inokoshi, M.; Batuk, M.; Hadermann, J.; Van Meerbeek, B.; Naert, I.; Vleugels, J. |
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Title |
Critical influence of alumina content on the low temperature degradation of 2-3 mol% yttria-stabilized TZP for dental restorations |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Journal of the European Ceramic Society |
Abbreviated Journal |
J Eur Ceram Soc |
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| |
Volume |
35 |
Issue |
35 |
Pages |
741-750 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The influence of 0.25, 2 and 5 wt.% alumina addition on the mechanical properties and low temperature degradation (LTD) of 3, 2.5 and 2 mol% yttria-stabilized TZP ceramics was investigated. The amount of alumina addition was observed to have a crucial impact on the degradation of Y-TZP ceramics. Independent on the yttria stabilizer content, 0.25 wt.% alumina had a higher degradation retarding effect to Y-TZP ceramics than 2 and 5 wt.% of alumina addition, which had a comparable effect. The apparent activation energy for the degradation process was increased by adding alumina, but it was the same for 0.255 wt.% alumina doped 3Y-TZP ceramics. For Y-TZPs containing a small amount of alumina addition, only the segregated Al3+ at the grain boundaries of the zirconia grains was effective to retard the degradation of Y-TZPs. The secondary phase Al2O3 grains increased the degradation kinetics, which might be attributed to the residual stresses. |
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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 |
Barking |
Editor |
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Language |
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Wos |
000345201700032 |
Publication Date |
2014-09-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0955-2219; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.411 |
Times cited |
37 |
Open Access |
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| |
Notes |
Fwo G043110n |
Approved |
Most recent IF: 3.411; 2015 IF: 2.947 |
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Call Number |
c:irua:121328 |
Serial |
544 |
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| Permanent link to this record |
