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	Author	De Baere, K.; Verstraelen, H.; Rigo, P.; Van Passel, S.; Lenaerts, S.; Potters, G.
	Title	Reducing the cost of ballast tank corrosion : an economic modeling approach			Type	A1 Journal article
	Year	2013	Publication	Marine structures	Abbreviated Journal	Mar Struct
	Volume	32	Issue		Pages	136-152
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	One of the most relevant problems in ship construction and maintenance nowadays concerns the corrosion in the double hull space ballast tanks of modern merchant vessels. On the one hand, there is a general consensus that the economic life span of such a vessel depends primarily upon the corrosion state of its ballast tanks, while on the other hand, the position of these tanks, squeezed between the outer hull and the loading tanks, makes routine inspection and maintenance almost impossible. Today, ship's ballast tanks are usually constructed in grade A steel and protected with a standard epoxy coating, backed up with sacrificial zinc anodes. Such a construction has been applied without significant alterations for many years. However, the objective of this economic study is to compare this construction method with some feasible alternatives. The considered alternatives are: (1) an increase of the scantlings, eliminating the necessity to replace corroded steel but diminishing the cargo carrying capacity of the ship, (2) application of the novel and more durable TSCF25 coating (3), the use of corrosion resistant steel in ship construction or (4) a standard PSPC15 coating combined with lifetime lasting aluminum sacrificial anodes. After running each alternative through a cost model including an extensive sensitivity analysis, it is concluded that the durable coating and the use of lifetime lasting aluminum anodes are bound to improve the actual basic tank concept. Corrosion resistant steel becomes attractive depending upon the evolution of the international steel market.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000319643500007	Publication Date	2013-05-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0951-8339	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.052	Times cited	9	Open Access
	Notes	; ;			Approved	Most recent IF: 2.052; 2013 IF: 1.242
	Call Number	UA @ admin @ c:irua:109347			Serial	6240
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	Author	He, Z.B.; Deng, G.; Tian, H.; Xu, Q.; Van Tendeloo, G.
	Title	90° Rotation of orbital stripes in bilayer manganite PrCa₂Mn₂O₇ studied by in situ transmission electron microscopy			Type	A1 Journal article
	Year	2013	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	200	Issue		Pages	287-293
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We present an in situ transmission electron microscopy study on the half-doped bilayer manganite PrCa2Mn2O7 to reveal the rotation process of the orbital stripes. Between the reported initial and final ordering phases, we identified an intermediate state with two sets of satellite spots to bridge the 90° rotation of the orbital stripes. Furthermore, we determined that the rotation of the orbital stripes does not always occur. Some restricted conditions for the orbital rotation to occur were found and reasons are discussed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000317158000043	Publication Date	2013-02-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-4596;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.299	Times cited	5	Open Access
	Notes	Countatoms			Approved	Most recent IF: 2.299; 2013 IF: 2.200
	Call Number	UA @ lucian @ c:irua:106183			Serial	20
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	Author	Li, M.R.; Retuerto, M.; Bok Go, Y.; Emge, T.J.; Croft, M.; Ignatov, A.; Ramanujachary, K.V.; Dachraoui, W.; Hadermann, J.; Tang, M.B.; Zhao, J.T.; Greenblatt, M.;
	Title	Synthesis, crystal structure, and properties of KSbO₃-type Bi₃Mn_1.9Te_1.1O₁₁			Type	A1 Journal article
	Year	2013	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	197	Issue		Pages	543-549
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Single crystals of Bi3Mn1.9Te1.1O11 were prepared from NaCl+KCl flux. This compound adopts KSbO3-type crystal structure as evidenced by electron and single crystal X-ray diffraction analysis. The three-dimensional channel structure is formed by corner-sharing octahedral (Mn0.63Te0.37)2O10 dimers and two identical (Bi1)4(Bi2)2 interpenetrating lattices. The intra-dimer Mn/TeMn/Te distances in Bi3Mn1.9Te1.1O11 are short and are consistent with weak metalmetal interactions. The mixed oxidation state of manganese and the edge-sharing octahedral features are confirmed by X-ray near edge absorption spectroscopy measurements, which indicate Bi3(MnIII1.1MnIV0.8)TeVI1.1O11 with 57.7% Mn3+ and 42.3% Mn4+. The partial substitution of Te for Mn perturbs long-range magnetic interactions, thereby destroying the ferromagnetic ordering found in Bi3Mn3O11 (TC=150 K).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000312281000076	Publication Date	2012-07-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-4596;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.299	Times cited	13	Open Access
	Notes				Approved	Most recent IF: 2.299; 2013 IF: 2.200
	Call Number	UA @ lucian @ c:irua:101779			Serial	3452
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	Author	Hauchecorne, B.; Lenaerts, S.
	Title	Unravelling the mysteries of gas phase photocatalytic reaction pathways by studying the catalyst surface : a literature review of different Fourier transform infrared spectroscopic reaction cells used in the field			Type	A1 Journal article
	Year	2013	Publication	Journal of photochemistry and photobiology: C: photochemistry reviews	Abbreviated Journal	J Photoch Photobio C
	Volume	14	Issue		Pages	72-85
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Unlike the profound knowledge of the reaction mechanisms occurring in water phase photocatalysis, still fairly little is known on the reaction mechanisms occurring on the catalyst surface when dealing with gaseous pollutants. Unfortunately, there are some differences between both reactions. For one, there are no abundant hydroxyl radicals present in the gas phase, so that possibly other species prove to be important in abating the pollutant. In order to unravel the mysteries of gas phase photocatalytic reaction pathways, in situ techniques must be used to allow the detection and identification of reaction intermediates on a working catalyst. Several techniques were already used in the past, of which Fourier transform infrared spectroscopy seems to be the most versatile. This review will therefore give a selective overview of different spectroscopic reaction cells constructed for the in situ study of photocatalytic gas phase reactions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000314669600005	Publication Date	2012-09-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1389-5567	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.317	Times cited	8	Open Access
	Notes	; The University of Antwerp is greatly acknowledged for the fellowship granted to Birger Hauchecorne. The authors would also like to thank Sammy W. Verbruggen for his help in providing several papers of interest. ;			Approved	Most recent IF: 12.317; 2013 IF: 11.625
	Call Number	UA @ admin @ c:irua:106518			Serial	6001
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	Author	Saniz, R.; Xu, Y.; Matsubara, M.; Amini, M.N.; Dixit, H.; Lamoen, D.; Partoens, B.
	Title	A simplified approach to the band gap correction of defect formation energies : Al, Ga, and In-doped ZnO			Type	A1 Journal article
	Year	2013	Publication	The journal of physics and chemistry of solids	Abbreviated Journal	J Phys Chem Solids
	Volume	74	Issue	1	Pages	45-50
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	The calculation of defect levels in semiconductors within a density functional theory approach suffers greatly from the band gap problem. We propose a band gap correction scheme that is based on the separation of energy differences in electron addition and relaxation energies. We show that it can predict defect levels with a reasonable accuracy, particularly in the case of defects with conduction band character, and yet is simple and computationally economical. We apply this method to ZnO doped with group III elements (Al, Ga, In). As expected from experiment, the results indicate that Zn substitutional doping is preferred over interstitial doping in Al, Ga, and In-doped ZnO, under both zinc-rich and oxygen-rich conditions. Further, all three dopants act as shallow donors, with the +1 charge state having the most advantageous formation energy. Also, doping effects on the electronic structure of ZnO are sufficiently mild so as to affect little the fundamental band gap and lowest conduction bands dispersion, which secures their n-type transparent conducting behavior. A comparison with the extrapolation method based on LDA+U calculations and with the HeydScuseriaErnzerhof hybrid functional (HSE) shows the reliability of the proposed scheme in predicting the thermodynamic transition levels in shallow donor systems.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000311062500009	Publication Date	2012-08-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-3697;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.059	Times cited	36	Open Access
	Notes	Fwo; Bof-Nio			Approved	Most recent IF: 2.059; 2013 IF: 1.594
	Call Number	UA @ lucian @ c:irua:101782			Serial	3004
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	Author	Lind, O.C.; de Nolf, W.; Janssens, K.; Salbu, B.
	Title	Micro-analytical characterisation of radioactive heterogeneities in samples from Central Asian TENORM sites			Type	A1 Journal article
	Year	2013	Publication	Journal of environmental radioactivity	Abbreviated Journal	J Environ Radioactiv
	Volume	123	Issue		Pages	63-70
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	The present work focuses on the use of micro-analytical techniques to demonstrate the heterogeneous distribution of radionuclides and metals in soils collected at Former Soviet Union mining sites in Central Asia. Based on digital autoradiography, radionuclides were heterogeneously distributed in soil samples collected at the abandoned uranium mining sites Kurday, Kazakhstan, Kadji Sai, Kyrgyzstan and Taboshar, Tajikistan. Using electron microscopy interfaced with X-ray microanalysis submicron – mm-sized radioactive particles and rock fragments with U, As, Se and toxic metals on the surfaces were identified in Kurday and Kadji Sai samples. Employing scanning and tomographic (3D) synchrotron radiation based micro-X-ray fluorescence (mu-SRXRF) and synchrotron radiation based micro-X-ray diffraction (mu-SRXRD) allowed us to observe the inner structure of the particles without physical sectioning. The distribution of elements in virtual crosssections demonstrated that U and a series of toxic elements were rather heterogeneously distributed also within individual radioactive TENORM particles. Compared to archived data, U in Kadji Sai particles was present as uraninite (U4O9+y or UO2+x) or Na-zippeite aNa(4)(UO2)(6)[(OH)(10)(SO4)(3)]center dot 4H(2)O), i.e. U minerals with very low solubility. The results suggested that TENORM particles can carry substantial amount of radioactivity, which can be subject to re-suspension, atmospheric transport and water transport. Thus, the potential radioecological and radioanalytical impact of radioactive particles at NORM and TENORM sites worldwide should be taken into account. The present work also demonstrates that radioecological studies should benefit from the use of advanced methods such as synchrotron radiation based techniques. (C) 2012 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000321177200007	Publication Date	2012-03-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0265-931x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.31	Times cited	16	Open Access
	Notes	; We gratefully acknowledge the support provided by the Norwegian Ministry of Foreign Affairs and the European Commission (HASYLAB proposal I-20070051 EC and II-20090184 EC). The authors are indebted to Dr. Karen Appel and Dr. Manuela Borchert, Hasylab for beamline assistance. ;			Approved	Most recent IF: 2.31; 2013 IF: 3.571
	Call Number	UA @ admin @ c:irua:109558			Serial	5710
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	Author	Compernolle, T.; Van Passel, S.; Lebbe, L.
	Title	Bioremediation : how to deal with removal efficiency uncertainty? An economic application			Type	A1 Journal article
	Year	2013	Publication	Journal Of Environmental Management	Abbreviated Journal	J Environ Manage
	Volume	127	Issue		Pages	77-85
	Keywords	A1 Journal article; Economics
	Abstract	Bioremediation is a remediation strategy, which has considerable strength but also certain limitations. Complex and uncertain relationships among biomass, contaminants, and nutrients lead to an uncertain level of removal efficiency. The uncertainty inherent to a bioremediation strategy should be addressed in the remediation selection process. In order to evaluate the bioremediation strategy economically, this study takes into account the reversibility of a decision. A decision tree structures the different remediation strategies, thus giving the possible courses of action open to the decision maker. The option value indicates the importance of having the possibility to reverse a previously made decision. Compared with conventional economic evaluation tools, more information to ground the selection made is revealed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000322940100010	Publication Date	2013-05-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0301-4797	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.01	Times cited	1	Open Access
	Notes	; ;			Approved	Most recent IF: 4.01; 2013 IF: 3.188
	Call Number	UA @ admin @ c:irua:129868			Serial	6162
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	Author	Jones, P.T.; Geysen, D.; Tielemans, Y.; Van Passel, S.; Pontikes, Y.; Blanpain, B.; Quaghebeur, M.; Hoekstra, N.
	Title	Enhanced landfill mining in view of multiple resource recovery : a critical review			Type	A1 Journal article
	Year	2013	Publication	Journal Of Cleaner Production	Abbreviated Journal	J Clean Prod
	Volume	55	Issue		Pages	45-55
	Keywords	A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
	Abstract	In a circular economy material loops are closed by recycling of pre-consumer manufacturing scrap/residues, urban mining of End-of-Life products and landfill mining of historic (and future) urban waste streams. However, in the past landfill mining was not performed with a focus on resource recovery. This paper addresses this gap by introducing the concept of Enhanced Landfill Mining, defined as the safe conditioning, excavation and integrated valorization of landfilled waste streams as both materials and energy, using innovative transformation technologies and respecting the most stringent social and ecological criteria. The feasibility of ELFM is studied by synthesizing the research on the Closing the Circle project, the first ELFM project targeting the 18 million metric ton landfill in Houthalen-Helchteren in the East of Belgium. It is argued that Environmental Impact Assessments of ELFM projects should be wide in scope and time. Embedded in a broad resource management perspective, the worldwide potential of ELFM is highlighted, in terms of climate gains, materials and energy utilization, job creation and land reclamation. The potential is quantified for the EU-27 with its 150,000-500,000 landfills. However, for ELFM to reach its full potential, strategic policy decisions and tailored support systems, including combined incentives for material recycling, energy utilization and nature restoration, are required. (c) 2012 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000322802300005	Publication Date	2012-05-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0959-6526	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.715	Times cited	144	Open Access
	Notes	; The authors acknowledge the European and Flemish authorities for the funding of, respectively, the EFRO project 'Closing the Circle, a demonstration of Enhanced Landfill Mining (ELFM)' and the IWT O&O Project 100517. The authors acknowledge the ELFM Consortium Members, including Karel Van Acker, Tom Van Gerven, Marc Craps, Alain De Vocht, Johan Eyckmans, Maarten Dubois, Koen Sips, Luk Umans, Maurice Ballard, Lieve Helsen and Anouk Bosmans. The authors acknowledge the members of the EU ELMIRE Consortium, in particular Hans Groot, Raffaello Cossu, William Hogland and Rainer Stegmann. Finally, the authors thank the reviewers for their critical comments and suggested improvements. ;			Approved	Most recent IF: 5.715; 2013 IF: 3.590
	Call Number	UA @ admin @ c:irua:127549			Serial	6195
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	Author	Van Passel, S.; Dubois, M.; Eyckmans, J.; de Gheldere, S.; Ang, F.; Jones, P.T.; Van Acker, K.
	Title	The economics of enhanced landfill mining : private and societal performance drivers			Type	A1 Journal article
	Year	2013	Publication	Journal Of Cleaner Production	Abbreviated Journal	J Clean Prod
	Volume	55	Issue		Pages	92-102
	Keywords	A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
	Abstract	This paper addresses the economics of Enhanced Landfill Mining (ELFM) both from a private point of view as well as from a society perspective. The private potential is assessed using a case study for which an investment model is developed to identify the impact of a broad range of parameters on the profitability of ELFM. We found that especially variations in Waste-to-Energy (WtE efficiency, electricity price, CO2-price, WtE investment and operational costs) and ELFM support explain the variation in economic profitability measured by the Internal Rate of Return. To overcome site-specific parameters we also evaluated the regional ELFM potential for the densely populated and industrial region of Flanders (north of Belgium). The total number of potential ELFM sites was estimated using a 5-step procedure and a simulation tool was developed to trade-off private costs and benefits. The analysis shows that there is a substantial economic potential for ELFM projects on the wider regional level. Furthermore, this paper also reviews the costs and benefits from a broader perspective. The carbon footprint of the case study was mapped in order to assess the project's net impact in terms of greenhouse gas emissions. Also the impacts of nature restoration, soil remediation, resource scarcity and reduced import dependence were valued so that they can be used in future social cost-benefit analysis. Given the complex trade-off between economic, social and environmental issues of ELFM projects, we conclude that further refinement of the methodological framework and the development of the integrated decision tools supporting private and public actors, are necessary. (c) 2012 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000322802300010	Publication Date	2012-04-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0959-6526	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.715	Times cited	65	Open Access
	Notes	; ;			Approved	Most recent IF: 5.715; 2013 IF: 3.590
	Call Number	UA @ admin @ c:irua:127550			Serial	6266
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	Author	Herregods, S.J.F.; Mertens, M.; Van Havenbergh, K.; Van Tendeloo, G.; Cool, P.; Buekenhoudt, A.; Meynen, V.
	Title	Controlling pore size and uniformity of mesoporous titania by early stage low temperature stabilization			Type	A1 Journal article
	Year	2013	Publication	Journal of colloid and interface science	Abbreviated Journal	J Colloid Interf Sci
	Volume	391	Issue		Pages	36-44
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
	Abstract	The control of the formation process during and after self-assembly is of utmost importance to achieve well structured, controlled template-assisted mesoporous titania materials with the desired properties for various applications via the evaporation induced self-assembly method (EISA). The present paper reports on the large influence of the thermal stabilization and successive template removal on the pore structure of a mesostructured TiO2 material using the diblock copolymer Brij 58 as surfactant. A controlled thermal stabilization (temperature and duration) allows one to tailor the final pore size and uniformity much more precise by influencing the self-assembly of the template. Moreover, also the successive thermal template removal needs to be controlled in order to avoid a structural collapse. N2-sorption, TGA, TEM, FT-Raman spectroscopy, and small angle wide angle XRD have been used to follow the crystal growth and mesostructure organization after thermal stabilization and after thermal template removal, revealing its effect on the final pore structure.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000312039000006	Publication Date	2012-10-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-9797;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.233	Times cited	12	Open Access
	Notes				Approved	Most recent IF: 4.233; 2013 IF: 3.552
	Call Number	UA @ lucian @ c:irua:101757			Serial	506
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	Author	Verheyen, E.; Jo, C.; Kurttepeli, M.; Vanbutsele, G.; Gobechiya, E.; Korányi, T.I.; Bals, S.; Van Tendeloo, G.; Ryoo, R.; Kirschhock, C.E.A.; Martens, J.A.;
	Title	Molecular shape-selectivity of MFI zeolite nanosheets in n-decane isomerization and hydrocracking			Type	A1 Journal article
	Year	2013	Publication	Journal of catalysis	Abbreviated Journal	J Catal
	Volume	300	Issue		Pages	70-80
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	MFI zeolite nanosheets with thickness of 2 and 8 nm were synthesized, transformed into bifunctional catalysts by loading with platinum and tested in n-decane isomerization and hydrocracking. Detailed analysis of skeletal isomers and hydrocracked products revealed that the MFI nanosheets display transition-state shape-selectivity similar to bulk MFI zeolite crystals. The suppressed formation of bulky skeletal isomers and C5 cracking products are observed both in the nanosheets and the bulk crystals grown in three dimensions. This is typical for restricted transition-state shape-selectivity, characteristic for the MFI type pores. It is a first clear example of transition-state shape-selectivity inside a zeolitic nanosheet. Owing to the short diffusion path across the sheets, expression of diffusion-based discrimination of reaction products in the MFI nanosheets was limited. The 2-methylnonane formation among monobranched C10 isomers and 2,7-dimethyloctane among dibranched C10 isomers, which in MFI zeolite are favored by product diffusion, was much less favored on the nanosheets compared to the reference bulk ZSM-5 material.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	San Diego, Calif.	Editor
	Language		Wos	000317558000009	Publication Date	2013-02-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-9517;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.844	Times cited	121	Open Access
	Notes	Methusalem; IAP; Countatoms			Approved	Most recent IF: 6.844; 2013 IF: 6.073
	Call Number	UA @ lucian @ c:irua:106186			Serial	2181
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	Author	Shi, H.; Delville, R.; Srivastava, V.; James, R.D.; Schryvers, D.
	Title	Microstructural dependence on middle eigenvalue in Ti-Ni-Au			Type	A1 Journal article
	Year	2013	Publication	Journal of alloys and compounds	Abbreviated Journal	J Alloy Compd
	Volume	582	Issue		Pages	703-707
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The microstructure of various compounds of the Ti-Ni-Au alloy system is investigated by transmission electron microscopy in relation with changing lattice parameters improving the compatibility conditions between austenite and martensite expressed by the lambda(2) = 1 equation based on the Geometrically NonLinear Theory of Martensite (GNLTM). Although local differences in microstructure are observed, when increasing the gold content compound twins are replaced by Type I twins, while twinned lamellar structures are replaced by untwinned plates and self-accommodating structures when lambda(2) = 1 is approached, all confirming the predictions of the GNLTM. (c) 2013 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000325468100114	Publication Date	2013-08-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0925-8388;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.133	Times cited	8	Open Access
	Notes				Approved	Most recent IF: 3.133; 2013 IF: 2.726
	Call Number	UA @ lucian @ c:irua:112209			Serial	2042
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	Author	Lu, J.B.; Shi, H.; Sedlakova-Ignacova, S.; Espinoza, R.; Kopeček, J.; Sittner, P.; Bártová, B.; Schryvers, D.
	Title	Microstructure and precipitates in annealed Co₃₈Ni₃₃Al₂₉ ferromagnetic shape memory alloy			Type	A1 Journal article
	Year	2013	Publication	Journal of alloys and compounds	Abbreviated Journal	J Alloy Compd
	Volume	572	Issue		Pages	5-10
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Transmission electron microscopy was performed to investigate the microstructure and precipitates in the annealed Co38Ni33Al29 ferromagnetic shape memory alloy. Apart from the dendritic secondary phase in the austenite matrix, micron-sized (up to 100 μm) fcc-based precipitates with partial γ′ L12 ordering and containing none, one or three {1 1 1}p parallel twin planes were found. The orientation relationship between the precipitates and matrix was found to be KurdjumovSachs. STEMEDX analysis indicates that twinned and non-twinned precipitates are Co-rich and Al- and Ni-deficient with respect to the matrix and with a lower Co/Al ratio for the latter. The 3D morphologies of precipitates were reconstructed with focused ion beam/scanning electron microscope dual-beam slice-and-view imaging, showing that the single {1 1 1}p plane twinned precipitates have a plate-like shape while the non-twinned precipitates are lath-like and often bent.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000319209600002	Publication Date	2013-04-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0925-8388;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.133	Times cited	10	Open Access
	Notes				Approved	Most recent IF: 3.133; 2013 IF: 2.726
	Call Number	UA @ lucian @ c:irua:107914			Serial	2058
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	Author	Cao, S.; Ke, C.B.; Zhang, X.P.; Schryvers, D.
	Title	Morphological characterization and distribution of autocatalytic-grown Ni₄Ti₃ precipitates in a Ni-Ti single crystal			Type	A1 Journal article
	Year	2013	Publication	Journal of alloys and compounds	Abbreviated Journal	J Alloy Compd
	Volume	577	Issue	S:1	Pages	215-218
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The 3D size, morphology and distribution of autocatalytic-grown Ni4Ti3 precipitates in a Ni51Ti49 single crystal were characterized via a FIB/SEM Slice-and-View procedure and phase-field simulation. Important parameters on size and shape of the precipitates were measured. The pair distribution function and the minimum distance between two precipitates from different variants were calculated to describe the 3D distribution of the autocatalytic-grown Ni4Ti3 precipitates in single crystal Ni-Ti, with a comparison to the polycrystalline Ni50.8Ti49.2 alloy. Phase-field simulation was conducted to study the nucleation behavior of precipitates in the single crystal Ni-Ti. (C) 2012 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000329891400045	Publication Date	2012-02-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0925-8388;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.133	Times cited	5	Open Access
	Notes				Approved	Most recent IF: 3.133; 2013 IF: 2.726
	Call Number	UA @ lucian @ c:irua:114831			Serial	2203
Permanent link to this record



	Author	Schryvers, D.; Cao, S.; Pourbabak; Shi, H.; Lu
	Title	Recent EM investigations on nano-and micro-defect structures in SMAs			Type	A1 Journal article
	Year	2013	Publication	Journal of alloys and compounds	Abbreviated Journal	J Alloy Compd
	Volume	577	Issue	s:[1]	Pages	S705-S709
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The present contribution reviews some recent electron microscopy investigations on different shape memory systems in which a variety of nano- and micro-defect structures play an essential role in the functional behaviour of the material. (NiTi3)-Ti-4 precipitates in Ni-Ti are a well-known example for which the focus is now on the 3D configurations, in Ni-Ti-Nb Nb-rich nanoprecipitates are thought to have a large impact on the hysteresis, in Co-Ni-Al an Al-enriched zone nearby the y'-precipitates yields a small sandwiched austenite while some first signs of quasidynamical lattice deformation in non-frozen Ni-Ti strain glass are measured by Cs-aberration-corrected transmission electron microscopy. (C) 2011 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher	Elsevier science sa	Place of Publication	Lausanne	Editor
	Language		Wos	000329891400146	Publication Date	2011-11-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0925-8388;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.133	Times cited	7	Open Access
	Notes				Approved	Most recent IF: 3.133; 2013 IF: 2.726
	Call Number	UA @ lucian @ c:irua:114832			Serial	2839
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	Author	Filippousi, M.; Papadimitriou, S.A.; Bikiaris, D.N.; Pavlidou, E.; Angelakeris, M.; Zamboulis, D.; Tian, H.; Van Tendeloo, G.
	Title	Novel coreshell magnetic nanoparticles for Taxol encapsulation in biodegradable and biocompatible block copolymers : preparation, characterization and release properties			Type	A1 Journal article
	Year	2013	Publication	International journal of pharmaceutics	Abbreviated Journal	Int J Pharmaceut
	Volume	448	Issue	1	Pages	221-230
	Keywords	A1 Journal article; Pharmacology. Therapy; Electron microscopy for materials research (EMAT)
	Abstract	Theranostic polymeric nanocarriers loaded with anticancer drug Taxol and superparamagnetic iron oxide nanocrystals have been developed for possible magnetic resonance imaging (MRI) use and cancer therapy. Multifunctional nanocarriers with a coreshell structure have been prepared by coating superparamagnetic Fe3O4 nanoparticles with block copolymer of poly(ethylene glycol)-b-poly(propylene succinate) with variable molecular weights of the hydrophobic block poly(prolylene succinate). The multifunctional polymer nano-vehicles were prepared using a nanoprecipitation method. Scanning transmission electron microscopy revealed the encapsulation of magnetic nanoparticles inside the polymeric matrix. Energy dispersive X-ray spectroscopy and electron energy loss spectroscopy mapping allowed us to determine the presence of the different material ingredients in a quantitative way. The diameter of the nanoparticles is below 250 nm yielding satisfactory encapsulation efficiency. The nanoparticles exhibit a biphasic drug release pattern in vitro over 15 days depending on the molecular weight of the hydrophobic part of the polymer matrix. These new systems where anti-cancer therapeutics like Taxol and iron oxide nanoparticles (IOs) are co-encapsulated into new facile polymeric nanoparticles, could be addressed as potential multifunctional vehicles for simultaneous drug delivery and targeting imaging as well as real time monitoring of therapeutic effects.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000319052000026	Publication Date	2013-03-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0378-5173;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.649	Times cited	29	Open Access
	Notes	Countatoms			Approved	Most recent IF: 3.649; 2013 IF: 3.785
	Call Number	UA @ lucian @ c:irua:107348			Serial	2374
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	Author	Snoeckx, R.; Setareh, M.; Aerts, R.; Simon, P.; Maghari, A.; Bogaerts, A.
	Title	Influence of N₂ concentration in a CH₄/N₂ dielectric barrier discharge used for CH₄ conversion into H₂			Type	A1 Journal article
	Year	2013	Publication	International journal of hydrogen energy	Abbreviated Journal	Int J Hydrogen Energ
	Volume	38	Issue	36	Pages	16098-16120
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	We present a combined study of experimental and computational work for a dielectric barrier discharge (DBD) used for CH4 conversion into H2. More specifically, we investigated the influence of N2 as an impurity (150,000 ppm) and as additive gas (199%) on the CH4 conversion and H2 yield. For this purpose, a zero-dimensional chemical kinetics model is applied to study the plasma chemistry. The calculated conversions and yields for various gas mixing ratios are compared to the obtained experimental values, and good agreement is achieved. The study reveals the significance of the View the MathML source and View the MathML source metastable states for the CH4 conversion into H2, based on a kinetic analysis of the reaction chemistry.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000327904500027	Publication Date	2013-10-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0360-3199;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.582	Times cited	40	Open Access
	Notes				Approved	Most recent IF: 3.582; 2013 IF: 2.930
	Call Number	UA @ lucian @ c:irua:111372			Serial	1642
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	Author	Van Slycken, S.; Witters, N.; Meers, E.; Peene, A.; Michels, E.; Adriaensen, K.; Ruttens, A.; Vangronsveld, J.; Du Laing, G.; Wierinck, I.; Van Dael, M.; Van Passel, S.; Tack, F.M.G.
	Title	Safe use of metal-contaminated agricultural land by cultivation of energy maize (Zea mays)			Type	A1 Journal article
	Year	2013	Publication	Environmental Pollution	Abbreviated Journal	Environ Pollut
	Volume	178	Issue		Pages	375-380
	Keywords	A1 Journal article; Economics
	Abstract	Production of food crops on trace element-contaminated agricultural lands in the Campine region (Belgium) can be problematic as legal threshold values for safe use of these crops can be exceeded. Conventional sanitation of vast areas is too expensive and alternatives need to be investigated. Zea mays on a trace element-contaminated soil in the region showed an average yield of 53 ± 10 Mg fresh or 20 ± 3 Mg dry biomass ha−1. Whole plant Cd concentrations complied with legal threshold values for animal feed. Moreover, threshold values for use in anaerobic digestion were met. Biogas production potential did not differ between maize grown on contaminated and non-contaminated soils. Results suggested favorable perspectives for farmers to generate non-food crops profitably, although effective soil cleaning would be very slow. This demonstrates that a valuable and sustainable alternative use can be generated for moderately contaminated soils on which conventional agriculture is impaired.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000320487700050	Publication Date	2013-04-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0269-7491	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.099	Times cited	30	Open Access
	Notes	; This research was funded by the Institute for the promotion of Innovation by Science and Technology in Flanders (IWT-Flanders, Grant IWT/CLO/50702). We want to thank OVAM, as the planting and management of this site is part of a demonstration project in the context of the INTERREG-project BENEKEMPEN. Also many thanks to laboratory staff of the departments and to Pioneer and KWS for providing the seeds. ;			Approved	Most recent IF: 5.099; 2013 IF: 3.902
	Call Number	UA @ admin @ c:irua:129870			Serial	6247
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	Author	Drozhzhin, O.A.; Vorotyntsev, M.A.; Maduar, S.R.; Khasanova, N.R.; Abakumov, A.M.; Antipov, E.V.
	Title	Li-ion diffusion in Li_xNb₉PO₂₅			Type	A1 Journal article
	Year	2013	Publication	Electrochimica acta	Abbreviated Journal	Electrochim Acta
	Volume	89	Issue		Pages	262-269
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Wadsley-Roth phase LixNb6PO25 has been studied as a potential candidate for anode material of Li-ion batteries. Its crystal structure, which consists of ReO3-type blocks of NbO6 octahedra connected with PO4 tetrahedra, provides a good stability and performance during Li+ insertion/removal. Li-ion chemical diffusion coefficient (D-chem) in LixNb6PO25 was determined by means of potentiostatic intermittent titration technique and electrochemical impedance spectroscopy. Different data treatments (classical Warburg equation or the model of an electrode system with ohmic potential drop and/or slow kinetics of the interfacial Li+ ion transfer across the electrode/electrolyte interface) were used for calculation of D-chem of the Li ion inside this material; their applicability is discussed in the article. D-chem changes with the Li-ion doping degree, x, in LixNb3PO25 and has a sharp minimum near the two-phase region at appr. 1.7V vs. Li+/Li. These values of D-chem in LixNb9PO25 (similar to 10(-9)-10(-11) cm(2) s(-1)) were found to be in average noticeably higher than in the widely studied anode material, Li4Ti5O12. (C) 2012 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000315558200034	Publication Date	2012-11-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0013-4686;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.798	Times cited	11	Open Access
	Notes				Approved	Most recent IF: 4.798; 2013 IF: 4.086
	Call Number	UA @ lucian @ c:irua:108312			Serial	1816
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	Author	Mortier, S.T.F.C.; Van Hoey, S.; Cierkens, K.; Gernaey, K.V.; Seuntjens, P.; De Baets, B.; De Beer, T.; Nopens, I.
	Title	A GLUE uncertainty analysis of a drying model of pharmaceutical granules			Type	A1 Journal article
	Year	2013	Publication	European journal of pharmaceutics and biopharmaceutics	Abbreviated Journal
	Volume	85	Issue	3:b	Pages	984-995
	Keywords	A1 Journal article; Pharmacology. Therapy; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	A shift from batch processing towards continuous processing is of interest in the pharmaceutical industry. However, this transition requires detailed knowledge and process understanding of all consecutive unit operations in a continuous manufacturing line to design adequate control strategies. This can be facilitated by developing mechanistic models of the multi-phase systems in the process. Since modelling efforts only started recently in this field, uncertainties about the model predictions are generally neglected. However, model predictions have an inherent uncertainty (i.e. prediction uncertainty) originating from uncertainty in input data, model parameters, model structure, boundary conditions and software. In this paper, the model prediction uncertainty is evaluated for a model describing the continuous drying of single pharmaceutical wet granules in a six-segmented fluidized bed drying unit, which is part of the full continuous from-powder-to-tablet manufacturing line (Consigma (TM), GEA Pharma Systems). A validated model describing the drying behaviour of a single pharmaceutical granule in two consecutive phases is used. First of all, the effect of the assumptions at the particle level on the prediction uncertainty is assessed. Secondly, the paper focuses on the influence of the most sensitive parameters in the model. Finally, a combined analysis (particle level plus most sensitive parameters) is performed and discussed. To propagate the uncertainty originating from the parameter uncertainty to the model output, the Generalized Likelihood Uncertainty Estimation (GLUE) method is used. This method enables a modeller to incorporate the information obtained from the experimental data in the assessment of the uncertain model predictions and to find a balance between model performance and data precision. A detailed evaluation of the obtained uncertainty analysis results is made with respect to the model structure, interactions between parameters and uncertainty boundaries. (C) 2013 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000330200800019	Publication Date	2013-03-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0939-6411	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:114876			Serial	8005
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	Author	Bernardi, A.; Becherini, F.; Verità, M.; Godoi, R.H.M.; Kontozova-Deutsch, V.; Van Grieken, R.; et al.
	Title	Conservation of stained glass windows with protective glazing : main results from the European VIDRIO research programme			Type	A1 Journal article
	Year	2013	Publication	Journal of cultural heritage	Abbreviated Journal
	Volume	14	Issue	6	Pages	527-536
	Keywords	A1 Journal article; Art; History; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	The methodology of protecting the European stained glass windows against environmental risk (e.g. meteorological factors, air pollution, microorganisms) by means of an external glazing is not new. In spite of many scientific studies carried out in the last 20 years, some questions were still up for discussion. The European VIDRIO (20022005) project gave an answer to these questions. The research carried out by the different project partners established a new multidisciplinary approach aimed at evaluating the efficiency of the protective glazing systems and their effects on stained glass windows conservation, and finally at assessing the most appropriate strategy to preserve stained glass windows. Scientific results showed that the so-called isothermal glazing (i.e. ventilation by the air coming from the inside of the building) protected efficiently the ancient stained glass window from environmental attack (i.e. rain, pollutants, condensation, thermal shocks) with very limited secondary effects. The scientific research highlighted that its efficiency was strongly related to the technical design of the protective system. In particular, the ventilation and the size of the interspace had to be carefully considered. The research developed within the VIDRIO project was turned into general recommendations to the owners and practitioners on the best practice for the stained glass windows future conservation.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000326937800009	Publication Date	2013-01-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1296-2074	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:111817			Serial	7726
Permanent link to this record



	Author	Shariat, M.; Shokri, B.; Neyts, E.C.
	Title	On the low-temperature growth mechanism of single walled carbon nanotubes in plasma enhanced chemical vapor deposition			Type	A1 Journal article
	Year	2013	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	590	Issue		Pages	131-135
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Despite significant progress in single walled carbon nanotube (SWCNT) production by plasma enhanced chemical vapor deposition (PECVD), the growth mechanism in this method is not clearly understood. We employ reactive molecular dynamics simulations to investigate how plasma-based deposition allows growth at low temperature. We first investigate the SWCNT growth mechanism at low and high temperatures under conditions similar to thermal CVD and PECVD. We then show how ion bombardment during the nucleation stage increases the carbon solubility in the catalyst at low temperature. Finally, we demonstrate how moderate energy ions sputter amorphous carbon allowing for SWCNT growth at 500 K. (C) 2013 Elsevier B. V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000327721000024	Publication Date	2013-10-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.815	Times cited	14	Open Access
	Notes				Approved	Most recent IF: 1.815; 2013 IF: 1.991
	Call Number	UA @ lucian @ c:irua:112775			Serial	2439
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	Author	Bittencourt, C.; Ke, X.; Van Tendeloo, G.; Tagmatarchis, N.; Guttmann, P.
	Title	NEXAFS spectromicroscopy of suspended carbon nanohorns			Type	A1 Journal article
	Year	2013	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	587	Issue		Pages	85-87
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We demonstrate that near-edge X-ray-absorption fine-structure spectroscopy combined with full-field transmission X-ray microscopy can be used to study the electronic structure of suspended carbon nanohorns. Based on reports of electronic structure calculations additional spectral features observed in the π region of the NEXAFS spectrum recorded on the carbon nanohorns were associated to the presence of the pentagonal rings and the folding of the graphene sheet.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000326104500016	Publication Date	2013-09-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.815	Times cited	4	Open Access
	Notes	Fp7; Countatoms;			Approved	Most recent IF: 1.815; 2013 IF: 1.991
	Call Number	UA @ lucian @ c:irua:111592			Serial	2339
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	Author	Adjizian, J.J.; De Marco, P.; Suarez-Martinez, I.; El Mel, A.A.; Snyders, R.; Gengler, R.Y.N.; Rudolf, P.; Ke, X.; Van Tendeloo, G.; Bittencourt, C.; Ewels, C.P.;
	Title	Platinum and palladium on carbon nanotubes : experimental and theoretical studies			Type	A1 Journal article
	Year	2013	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	571	Issue		Pages	44-48
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Pristine and oxygen plasma functionalised carbon nanotubes (CNTs) were studied after the evaporation of Pt and Pd atoms. High resolution transmission electron microscopy shows the formation of metal nanoparticles at the CNT surface. Oxygen functional groups grafted by the plasma functionalization act as nucleation sites for metal nanoparticles. Analysis of the C1s core level spectra reveals that there is no covalent bonding between the Pt or Pd atoms and the CNT surface. Unlike other transition metals such as titanium and copper, neither Pd nor Pt show strong oxygen interaction or surface oxygen scavenging behaviour.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000319109900007	Publication Date	2013-04-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.815	Times cited	23	Open Access
	Notes	Countatoms; Cost			Approved	Most recent IF: 1.815; 2013 IF: 1.991
	Call Number	UA @ lucian @ c:irua:108706			Serial	2650
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	Author	Massobrio, C.; Djimbi, D.M.; Matsubara, M.; Scipioni, R.; Boero, M.
	Title	Stability of Ge₁₂C₄₈ and Ge₂₀C₄₀ heterofullerenes : a first principles molecular dynamics study			Type	A1 Journal article
	Year	2013	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	556	Issue		Pages	163-167
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	By using first-principles molecular dynamics, we address the issue of structural stability for the C-60 Ge-m(m) family of doped heterofullerenes through a set of calculations targeting C48Ge12 and C40Ge20. Three kinds of theoretical tools are employed: (a) static structural optimization, (b) a bonding analysis based on localized orbitals (Wannier wavefunctions and centers) and (c) first-principles molecular dynamics at finite temperature. This latter tool allows concluding that the segregated form of C40Ge20 is less stable than its Si-based counterpart. However, the non-segregated forms of C40Ge20 and C40Si20 have comparable stabilities at finite temperatures. (C) 2012 Elsevier B. V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000313644100032	Publication Date	2012-11-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.815	Times cited	3	Open Access
	Notes				Approved	Most recent IF: 1.815; 2013 IF: 1.991
	Call Number	UA @ lucian @ c:irua:110085			Serial	3132
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	Author	Bals, S.; Van Aert, S.; Van Tendeloo, G.
	Title	High resolution electron tomography			Type	A1 Journal article
	Year	2013	Publication	Current opinion in solid state and materials science	Abbreviated Journal	Curr Opin Solid St M
	Volume	17	Issue	3	Pages	107-114
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Reaching atomic resolution in 3D has been the ultimate goal in the field of electron tomography for many years. Significant progress, both on the theoretical as well as the experimental side has recently resulted in several exciting examples demonstrating the ability to visualise atoms in 3D. In this paper, we will review the different steps that have pushed the resolution in 3D to the atomic level. A broad range of methodologies and practical examples together with their impact on materials science will be discussed. Finally, we will provide an outlook and will describe future challenges in the field of high resolution electron tomography.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000323869800003	Publication Date	2013-03-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-0286;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.938	Times cited	24	Open Access
	Notes	Fwo; 312483 Esteem; Countatoms;			Approved	Most recent IF: 6.938; 2013 IF: 7.167
	Call Number	UA @ lucian @ c:irua:109454			Serial	1457
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	Author	Buysse, C.; Michielsen, B.; Middelkoop, V.; Snijkers, F.; Buekenhondt, A.; Kretzschmar, J.; Lenaerts, S.
	Title	Modeling of the performance of BSCF capillary membranes in four-end and three-end integration mode			Type	A1 Journal article
	Year	2013	Publication	Ceramics international	Abbreviated Journal	Ceram Int
	Volume	39	Issue	4	Pages	4113-4123
	Keywords	A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Owing to their high surface-to-volume ratio, there has been an increasing research interest in mixed ionic electronic conducting (MIEC) capillary membranes for large-scale high temperature oxygen separation applications. They offer an energy-efficient solution for high temperature combustion processes in oxy-fuel and pre-combustion CO2 capture technologies used in fossil fuel power plants. In order to assess the effectiveness of these membranes in power plant applications, the impact of the geometry of Ba0.5Sr0.5Co0.8Fe0.2O3-delta (BSCF) capillaries on their performance in the three-end and four-end integration modes has been investigated and thoroughly discussed. The model's parameters were derived from four-end mode lab-scale experiments using gas-tight, macrovoid free and sulfur-free BSCF capillary membranes that were prepared by a phase-inversion spinning technique. The results of this modeling study revealed that in the four-end mode higher average oxygen fluxes and smaller total membrane areas can be obtained than in the three-end mode. This is due to the higher pO(2) gradient across the membrane wall. (C) 2012 Elsevier Ltd and Techna Group S.r.l. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000318129100084	Publication Date	2012-11-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0272-8842	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.986	Times cited	4	Open Access
	Notes	; The authors wish to thank all the VITO staff involved in the project for their continued support, and in particular B. Molenberghs, W. Doyen, H. Beckers and S. Mullens. C. Buysse would like to acknowledge funding from VITO and the University of Antwerp for a Ph.D. studentship. This work has been performed in the framework of the German Helmholtz Alliance Project “MEM-BRAIN”, aiming at the development of gas separation membranes for zero-emission fossil fuel power plants. ;			Approved	Most recent IF: 2.986; 2013 IF: 2.086
	Call Number	UA @ admin @ c:irua:109020			Serial	5971
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	Author	Smits, M.; Chan, C. kit; Tytgat, T.; Craeye, B.; Costarramone, N.; Lacombe, S.; Lenaerts, S.
	Title	Photocatalytic degradation of soot deposition : self-cleaning effect on titanium dioxide coated cementitious materials			Type	A1 Journal article
	Year	2013	Publication	Chemical engineering journal	Abbreviated Journal	Chem Eng J
	Volume	222	Issue		Pages	411-418
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Diesel soot emissions deteriorate the appearance of architectural building materials by soot fouling. This soot deposition devalue the aesthetic value of the building. A solution to counteract this problem is applying titanium dioxide on building materials. TiO2 can provide air-purifying and self-cleaning properties due to its photocatalytic activity. In literature, photocatalytic soot oxidation is observed on glass or silicon substrates. However, degradation of soot by photocatalysis was not yet investigated on cementitious samples (mortar, concrete) although it is one of the most frequently used building materials. In this study, photocatalytic soot oxidation by means of TiO2 coated cementitious samples is addressed. The soot removal capacity of four types of TiO2 layers, coated on mortar samples, is evaluated by means of two detection methods. The first method is based on colorimetric measurements, while the second method uses digital image processing to calculate the area of soot coverage. The experimental data revealed that cementitious materials coated with commercially available TiO2 exhibited self-cleaning properties as it was found that all coated samples were able to remove soot. The P25 coating gave the best soot degradation performance, while the Eoxolit product showed the slowest soot degradation rate. In addition, gas chromatography measurements in a closed chamber experiment with P25 confirmed that complete mineralization of about 60% of the soot was obtained within 24 hours since CO2 was the sole observed oxidation product. Due to its realistic approach, this study proves that photocatalytic soot removal on TiO2 coated cementitious surfaces is possible in practice, which is an important step towards the practical application of self-cleaning building materials.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000319528900046	Publication Date	2013-03-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1385-8947; 1873-3212	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.216	Times cited	43	Open Access
	Notes	; This work was supported by a PhD grant (M. Smits) from the University of Antwerp, a PhD grant (T. Tytgat) funded by the Institute of Innovation by Science and Technology in Flanders (IWT) and the exchange program Tournesol (Project T2012.05) financed by the Flemish government. ;			Approved	Most recent IF: 6.216; 2013 IF: 4.058
	Call Number	UA @ admin @ c:irua:106519			Serial	5979
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	Author	Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Huygh, S.; Bal, K.M.; Neyts, E.C.
	Title	Temperature influence on the reactivity of plasma species on a nickel catalyst surface : an atomic scale study			Type	A1 Journal article
	Year	2013	Publication	Catalysis today	Abbreviated Journal	Catal Today
	Volume	211	Issue		Pages	131-136
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	In recent years, the potential use of hydrogen as a clean energy source has gained considerable attention. Especially H2 formation by Ni-catalyzed reforming of methane at elevated temperatures is an attractive process. However, a more fundamental knowledge at the atomic level is needed for a full comprehension of the reactions at the catalyst surface. In this contribution, we therefore investigate the H2 formation after CHx impacts on a Ni(1 1 1) surface in the temperature range 4001600 K, by means of reactive molecular dynamics (MD) simulations using the ReaxFF potential. While some H2 formation is already observed at the lower temperatures, substantial H2 formation is only obtained at elevated temperatures of 1400 K and above. At 1600 K, the H2 molecules are even the most frequently formed species. In direct correlation with the increasing dehydrogenation at elevated temperatures, an increased surface-to-subsurface C-diffusivity is observed as well. This study highlights the major importance of the temperature on the H2 formation.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000320697800020	Publication Date	2013-03-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0920-5861;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.636	Times cited	27	Open Access
	Notes				Approved	Most recent IF: 4.636; 2013 IF: 3.309
	Call Number	UA @ lucian @ c:irua:108675			Serial	3500
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	Author	Verbruggen, S.W.; Dirckx, J.J.J.; Martens, J.A.; Lenaerts, S.
	Title	Surface photovoltage measurements : a quick assessment of the photocatalytic activity?			Type	A1 Journal article
	Year	2013	Publication	Catalysis today	Abbreviated Journal	Catal Today
	Volume	209	Issue		Pages	215-220
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Surface photovoltage (SPV) measurements can contribute to a better understanding of electronic properties of photocatalysts under illumination. Direct linking of SPV data to the actual photocatalytic activity remains troublesome. This work aims to discuss SPV measurements from a photocatalytic point of view. By means of several application-based scenarios we illustrate that the trend between SPV and photocatalysis strongly depends on parameters such as the crystal structure, surface modifications, morphology and humidity. This makes the interpretation far from straightforward.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000319498800035	Publication Date	2013-01-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0920-5861	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.636	Times cited	8	Open Access
	Notes	; ;			Approved	Most recent IF: 4.636; 2013 IF: 3.309
	Call Number	UA @ admin @ c:irua:106520			Serial	5995
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