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	Author	Dixon, E.; Hadermann, J.; Hayward, M.A.
	Title	The synthesis and complex anion-vacancy ordered structure of La_0.33Sr_0.67MnO_2.42			Type	A1 Journal article
	Year	2011	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	184	Issue	7	Pages	1791-1799
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The low-temperature topotactic reduction of La0.33Sr0.67MnO3 with NaH results in the formation of La0.33Sr0.67MnO2.42. A combination of neutron powder and electron diffraction data show that La0.33Sr0.67MnO2.42 adopts a novel anion-vacancy ordered structure with a 6-layer OOTOOT' stacking sequence of the octahedral and tetrahedral layers (Pcmb, a=5.5804(1) Å, b=23.4104(7) Å, c=11.2441(3) Å). A significant concentration of anion vacancies at the anion site, which links neighbouring octahedral layers means that only 25% of the octahedral manganese coordination sites actually have 6-fold MnO6 coordination, the remainder being MnO5 square-based pyramidal sites. The chains of cooperatively twisted apex-linked MnO4 tetrahedra adopt an ordered -LRLR- arrangement within each tetrahedral layer. This is the first published example of a fully refined structure of this type which exhibits such intralayer ordering of the twisted tetrahedral chains. The rationale behind the contrasting structures of La0.33Sr0.67MnO2.42 and other previously reported reduced La1−xSrxMnO3−y phases is discussed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000292718500032	Publication Date	2011-05-26
	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	8	Open Access
	Notes				Approved	Most recent IF: 2.299; 2011 IF: 2.159
	Call Number	UA @ lucian @ c:irua:90885			Serial	3600
Permanent link to this record



	Author	Parente, A.; Gorlé, C.; van Beeck, J.; Benocci, C.
	Title	A comprehensive modelling approach for the neutral atmospheric boundary layer : consistent inflow conditions, wall function and turbulence model			Type	A1 Journal article
	Year	2011	Publication	Boundary-layer meteorology	Abbreviated Journal	Bound-Lay Meteorol
	Volume	140	Issue	3	Pages	411-428
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We report on a novel approach for the Reynolds-averaged Navier-Stokes (RANS) modelling of the neutral atmospheric boundary layer (ABL), using the standard k− turbulence model. A new inlet condition for turbulent kinetic energy is analytically derived from the solution of the k− model transport equations, resulting in a consistent set of fully developed inlet conditions for the neutral ABL. A modification of the standard k− model is also employed to ensure consistency between the inlet conditions and the turbulence model. In particular, the turbulence model constant C μ is generalized as a location-dependent parameter, and a source term is introduced in the transport equation for the turbulent dissipation rate. The application of the proposed methodology to cases involving obstacles in the flow is made possible through the implementation of an algorithm, which automatically switches the turbulence model formulation when going from the region where the ABL is undisturbed to the region directly affected by the building. Finally, the model is completed with a slightly modified version of the Richards and Hoxey rough-wall boundary condition. The methodology is implemented and tested in the commercial code Ansys Fluent 12.1. Results are presented for a neutral boundary layer over flat terrain and for the flow around a single building immersed in an ABL.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Dordrecht	Editor
	Language		Wos	000293923800004	Publication Date	2011-05-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0006-8314;1573-1472;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.573	Times cited	54	Open Access
	Notes				Approved	Most recent IF: 2.573; 2011 IF: 1.737
	Call Number	UA @ lucian @ c:irua:92341			Serial	450
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	Author	Afanasov, I.M.; Van Tendeloo, G.
	Title	Zirconia-modified exfoliated graphite			Type	A1 Journal article
	Year	2011	Publication	Inorganic materials	Abbreviated Journal	Inorg Mater+
	Volume	47	Issue	6	Pages	603-608
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Zirconia has been incorporated into exfoliated graphite (EG) through the anodic polarization in the natural graphite-ZrO(NO3)2-HNO3-H2O system, followed by flash heating. The thermal properties of the oxidized graphites employed as precursors to EG have been studied by thermogravimetry in combination with differential scanning calorimetry, and the distribution of ZrO2 particles in the EG has been assessed by scanning and transmission electron microscopy. Conditions are described for the preparation of EG with bulk densities in the range 1.34.7 g/l and ZrO2 contents in the range 434 wt %.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000291698100008	Publication Date	2011-05-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0020-1685;1608-3172;	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	0.62	Times cited		Open Access
	Notes				Approved	Most recent IF: 0.62; 2011 IF: 0.414
	Call Number	UA @ lucian @ c:irua:90447			Serial	3933
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	Author	Van Grieken, R.; Worobiec, A.
	Title	X-ray spectrometry for preventive conservation of cultural heritage			Type	A1 Journal article
	Year	2011	Publication	Pramåna: a journal of physics	Abbreviated Journal
	Volume	72	Issue	2	Pages	191-200
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
	Abstract	Analytical chemistry does play a key role in the chemical characterization of the environment and it appears that X-ray spectrometry, in its many forms, is one of the most relevant analytical techniques in preventive conservation, as it is in cultural heritage research in general. X-ray spectrometry has indeed been the method of choice for the characterization of the inorganic composition of atmospheric aerosols, for a long time. We have, over the last decade, intensively used various forms of X-ray spectrometry, viz., mostly energy-dispersive X-ray fluorescence, e.g. with polarized high-energy beam excitation, and automated electron probe X-ray microanalysis, together with other techniques, to identify particle types and their sources in indoor environments, including museums, while gaseous indoor pollutants were assessed using passive diffusion samplers. In each case, both bulk aerosols and individual aerosol particles were studied. For microanalysis of single particles, we have investigated a dozen techniques, but for wide, real-life applications, automated electron probe X-ray microanalysis is the most rewarding. We have first studied atmospheric aerosols in and around the Correr Museum in Venice, many other museums in Austria, Japan and England, and in the caves with prehistoric rock paintings in Altamira, Spain. Very recently, measurements were done in the Metropolitan Museum of Art in New York and theWawel Castle in Cracow, in Italian and Polish mountain churches, in a number of museums in Belgium and the Netherlands, and in cathedrals with medieval stained glass windows. In the Correr museum, it appeared that the particles most threatening for the Bellini paintings were released by the deteriorating plaster renderings, and this could be avoided by simply improving the rendering on the museum walls. In the Wawel Castle, outdoor pollution particles, like fine soot from diesel traffic, entering via leaks in the windows and doors, and also street-deicing salts and coal burning pollution particles, brought in by visitors, mostly in winter, were found to be most worrisome. Urgent questions that are not solved at this moment pertain to the deposition processes from the atmosphere to the cultural heritage items, the critical surface interactions that take place on these items, and the establishment of suitable particle concentration standards.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000288861000002	Publication Date	2011-05-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-4289; 0973-7111	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:87025			Serial	8785
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	Author	Jammaer, J.; Aprile, C.; Verbruggen, S.W.; Lenaerts, S.; Pescarmona, P.P.; Martens, J.A.
	Title	A non-aqueous synthesis of TiO₂SiO₂ composites in supercritical CO₂ for the photodegradation of pollutants			Type	A1 Journal article
	Year	2011	Publication	Chemsuschem	Abbreviated Journal	Chemsuschem
	Volume	4	Issue	10	Pages	1457-1463
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Titania/silica composites with different Ti/Si ratios are synthesized via a nonconventional synthesis route. The synthesis involves non-aqueous reaction of metal alkoxides and formic acid at 75 °C in supercritical carbon dioxide. The as-prepared composite materials contain nanometer-sized anatase crystallites and amorphous silica. Large specific surface areas are obtained. The composites are evaluated in the photocatalytic degradation of phenol in aqueous medium, and in the elimination of acetaldehyde from air. The highest photocatalytic activity in both processes is achieved with a composite containing 40 wt % TiO2.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000296497400010	Publication Date	2011-05-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1864-5631	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.226	Times cited	15	Open Access
	Notes	; The authors acknowledge sponsorship from CECAT and Methusalem (long-term financing of the Flemish government). We thank Dr. E. Gobechiya for assistance with XRD measurements and A. Lemaire for assistance with mercury porosimetry measurements. ;			Approved	Most recent IF: 7.226; 2011 IF: 6.827
	Call Number	UA @ admin @ c:irua:93363			Serial	5973
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	Author	Scipioni, R.; Matsubara, M.; Ruiz, E.; Massobrio, C.; Boero, M.
	Title	Thermal behavior of Si-doped fullerenes vs their structural stability at T = 0 K : a density functional study			Type	A1 Journal article
	Year	2011	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	510	Issue	1/3	Pages	14-17
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We establish the topological conditions underlying the thermal stability of C30Si30 clusters. Two topologies have been considered: a segregated one, where Si and C atoms lie on neighboring and yet, separated parts of the cage, and a non-segregated one, where the number of SiC bonds is maximized. The segregated network is energetically favored against the non-segregated one, both structures being fully relaxed at T = 0 K. Conversely, the non-segregated structure is the only one stable at finite temperatures, regardless of the nature of the local states (d or p) included in the KleynmanBylander construction.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000291478400002	Publication Date	2011-05-20
	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; 2011 IF: 2.337
	Call Number	UA @ lucian @ c:irua:90453			Serial	3625
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	Author	Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A.
	Title	Structural and vibrational properties of amorphous GeO₂ from first-principles			Type	A1 Journal article
	Year	2011	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	98	Issue	20	Pages	202110,1-202110,3
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The structural and vibrational properties of amorphous germanium oxide (a-GeO<sub>2</sub>) are investigated using first-principles calculations based on density functional theory. We first generate an a-GeO<sub>2</sub> structure by first-principles molecular dynamics and analyze its structural properties. The vibrational spectra is then calculated within a density-functional approach. Both static and dynamic properties are in good agreement with experimental data. We next generate defects in our structure (oxygen vacancies with several density and charge states) and consider the most stable atomic configurations, focusing on the vibrational features of threefold coordinated O and divalent Ge centers.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000290812100038	Publication Date	2011-05-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	226	Open Access
	Notes				Approved	Most recent IF: 3.411; 2011 IF: 3.844
	Call Number	UA @ lucian @ c:irua:90222			Serial	3202
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	Author	Serneels, S.; Faber, K.; Verdonck, T.; van Espen, P.J.
	Title	Case specific prediction intervals for tri-PLS1 : the full local linearisation			Type	A1 Journal article
	Year	2011	Publication	Chemometrics and intelligent laboratory systems	Abbreviated Journal
	Volume	108	Issue	2	Pages	93-99
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	A new method to estimate case specific prediction uncertainty for univariate trilinear partial least squares (tri-PLS1) regression is introduced. This method is, from a theoretical point of view, the most exact finite sample approximation to true prediction uncertainty that has been reported up till now. Using the new method, different error sources can be propagated, which is an advantage that cannot be offered by data driven approaches such as the bootstrap. In a concise example, it is illustrated how the method can be applied. In the Appendix, efficient algorithms are presented to compute the estimates required.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000295310000002	Publication Date	2011-05-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0169-7439; 1873-3239	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:92788			Serial	7580
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	Author	Meulebroeck, W.; Cosyns, P.; Baert, K.; Wouters, H.; Cagno, S.; Janssens, K.; Terryn, H.; Nys, K.; Thienpont, H.
	Title	Optical spectroscopy as a rapid and low-cost tool for the first-line analysis of glass artefacts : a step-by-step plan for Roman green glass			Type	A1 Journal article
	Year	2011	Publication	Journal of archaeological science	Abbreviated Journal	J Archaeol Sci
	Volume	38	Issue	9	Pages	2387-2398
	Keywords	A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Archaeometric research on glass artefacts is continuously evolving and is converging towards a multidisciplinary research domain where different types of techniques are applied depending on the questions asked and the circumstances involved. The technique described in this work is optical spectroscopy. The benefit of this technique being the possibility of building up a knowledge database for a large amount of material in a relatively short period of time and with a relatively limited budget. This is of particular interest for the investigation of extensive and/or unexplored glass collections where a first-line analysis of artefacts could facilitate the selection of material needing further and more detailed examination. This publication explores the extent to which optical spectroscopy can be used for a first-line analysis of green coloured glass artefacts from the Roman period. It is shown that the colour coordinates calculated from the measured transmission spectrum could reveal information about the fragment under study. In particular it is shown that 1) based on the position of the calculated colour values on the colour diagram (CIE1931) one could easily know whether the artefact was coloured using only iron or if copper oxides were also present. In the case of the artefact owing its colour solely to the presence of iron, the distance between the measured colour values and the colour diagrams white point can roughly indicate the iron concentration of the sample; 2) artefacts that were fabricated under similar furnace conditions can also be identified on the colour diagram; 3) samples with identical compositions and fabrication conditions but with different sample thickness, gave rise to a variation in the colour coordinates, thus allowing optical spectroscopy to help identify fragments which might belong to the same object.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000293551200037	Publication Date	2011-05-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0305-4403	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.602	Times cited	18	Open Access
	Notes	; The authors would like to express their gratitude to the Vrije Universiteit Brussel for funding this research in the framework of HOA15, a “Horizontal Research Action” which encourages collaboration between research groups from different departments within the same University having expertise in specific research disciplines and also to the OZR-project 1247 BOF. The authors are also very grateful to the following persons for having permitted the study of their material: Rica Annaert and Sofie Vanhoutte of the “Vlaams lnstituut voor Onroerend Erfgoed (VIOE): Grobbendonk, Matagne-la-Petite, Oudenburg; Jean-Louis Antoine of the Musee Archeologique Namur: Nismes; Tom Debruyne of the ”Erfgoedcel“ Tienen: Tienen: Marc Rogge and Kurt Braeckman of the ”Provinciaal Archeologisch Museum (PAM)": Kruishoutem, Velzeke; Walter Sevenants: Rumst and Anne de Pyre-Gysel from the Musee Romain d'Avenches: Avenches. ;			Approved	Most recent IF: 2.602; 2011 IF: 1.914
	Call Number	UA @ admin @ c:irua:92389			Serial	5756
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	Author	Wang, A.; Chen, F.R.; Van Aert, S.; van Dyck, D.
	Title	A method to determine the local surface profile from reconstructed exit waves			Type	A1 Journal article
	Year	2011	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	111	Issue	8	Pages	1352-1359
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	Reconstructed exit waves are useful to quantify unknown structure parameters such as the position and composition of the atom columns at atomic scale. Existing techniques provide a complex wave in a flat plane which is close to the plane where the electrons leave the atom columns. However, due to local deviation in the flatness of the exit surface, there will be an offset between the plane of reconstruction and the actual exit of a specific atom column. Using the channelling theory, it has been shown that this defocus offset can in principle be determined atom column-by-atom column. As such, the surface roughness could be quantified at atomic scale. However, the outcome strongly depends on the initial plane of reconstruction especially in a crystalline structure. If this plane is further away from the true exit, the waves of the atom columns become delocalized and interfere mutually which strongly complicates the interpretation of the exit wave in terms of the local structure. In this paper, we will study the delocalization with defocus using the channelling theory in a more systematic way.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000300461100049	Publication Date	2011-05-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-3991;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.843	Times cited	3	Open Access
	Notes	Fwo			Approved	Most recent IF: 2.843; 2011 IF: 2.471
	Call Number	UA @ lucian @ c:irua:88941			Serial	2017
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	Author	Li, Z.; Covaci, L.; Berciu, M.; Baillie, D.; Marsiglio, F.
	Title	Impact of spin-orbit coupling on the Holstein polaron			Type	A1 Journal article
	Year	2011	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	83	Issue	19	Pages	195104-195104,9
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We utilize an exact variational numerical procedure to calculate the ground state properties of a polaron in the presence of a Rashba-like spin-orbit interaction. Our results corroborate previous work performed with the momentum average approximation and with weak-coupling perturbation theory. We find that spin-orbit coupling increases the effective mass in the regime with weak electron-phonon coupling, and decreases the effective mass in the regimes of intermediate and strong electron-phonon coupling. Analytical strong-coupling perturbation theory results confirm our numerical results in the small-polaron regime. A large amount of spin-orbit coupling can lead to a significant lowering of the polaron effective mass.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000290162500001	Publication Date	2011-05-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	9	Open Access
	Notes	; This work was supported in part by the Natural Sciences and Engineering Research Council of Canada (NSERC), by ICORE (Alberta), by Alberta Ingenuity, by the Flemish Science Foundation (FWO-Vl), and by the Canadian Institute for Advanced Research (CIfAR). ;			Approved	Most recent IF: 3.836; 2011 IF: 3.691
	Call Number	UA @ lucian @ c:irua:89718			Serial	1561
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	Author	Khalil-Allafi, J.; Amin-Ahmadi, B.
	Title	Effect of mold hardness on microstructure and contraction porosity in ductile cast iron			Type	A1 Journal article
	Year	2011	Publication	Journal of iron and steel research international	Abbreviated Journal	J Iron Steel Res Int
	Volume	18	Issue	4	Pages	44-47
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The effect of mold hardness on the microstructure of ductile iron and the contraction porosity was investigated. Molds with different hardnesses (0.41, 0.48, 0.55, 0.62 MPa) and a sand mold prepared by Co2 method were used. The influence of silicon content on the induced expansion pressure owing to the formation of graphite was also investigated. The contraction during solidification can be compensated by an induced expansion owing to the graphite relief when the hardness of mold increases; therefore, the possibility of achieving a sound product without using any riser increases.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	2011-05-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1006-706X;	ISBN		Additional Links	UA library record
	Impact Factor	0.836	Times cited	1	Open Access
	Notes				Approved	Most recent IF: 0.836; 2011 IF: 0.213
	Call Number	UA @ lucian @ c:irua:122044			Serial	823
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	Author	Wu, Z.; Zhai, F.; Peeters, F.M.; Xu, H.Q.; Chang, K.
	Title	Valley-dependent brewster angles and Goos-Hänchen effect in strained graphene			Type	A1 Journal article
	Year	2011	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	106	Issue	17	Pages	176802,1-176802,4
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We demonstrate theoretically how local strains in graphene can be tailored to generate a valley-polarized current. By suitable engineering of local strain profiles, we find that electrons in opposite valleys (K or K′) show different Brewster-like angles and Goos-Hänchen shifts, exhibiting a close analogy with light propagating behavior. In a strain-induced waveguide, electrons in K and K′ valleys have different group velocities, which can be used to construct a valley filter in graphene without the need for any external fields.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000290100300016	Publication Date	2011-04-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9007;1079-7114;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.462	Times cited	235	Open Access
	Notes	; This work was supported by the NSF of China and the MOST, the Swedish International Development Cooperation Agency (SIDA), and the Belgian Science Policy (IAP). ;			Approved	Most recent IF: 8.462; 2011 IF: 7.370
	Call Number	UA @ lucian @ c:irua:89715			Serial	3832
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	Author	Boschker, H.; Huijben, M.; Vailinois, A.; Verbeeck, J.; Van Aert, S.; Luysberg, M.; Bals, S.; Van Tendeloo, G.; Houwman, E.P.; Koster, G.; Blank, D.H.A.; Rijnders, G.
	Title	Optimized fabrication of high-quality La_0.67Sr_0.33MnO₃ thin films considering all essential characteristics			Type	A1 Journal article
	Year	2011	Publication	Journal of physics: D: applied physics	Abbreviated Journal	J Phys D Appl Phys
	Volume	44	Issue	20	Pages	205001-205001,9
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	In this paper, an overview of the fabrication and properties of high-quality La0.67Sr0.33MnO3 (LSMO) thin films is given. A high-quality LSMO film combines a smooth surface morphology with a large magnetization and a small residual resistivity, while avoiding precipitates and surface segregation. In the literature, typically only a few of these issues are adressed. We therefore present a thorough characterization of our films, which were grown by pulsed laser deposition. The films were characterized with reflection high energy electron diffraction, atomic force microscopy, x-ray diffraction, magnetization and transport measurements, x-ray photoelectron spectroscopy and scanning transmission electron microscopy. The films have a saturation magnetization of 4.0 µB/Mn, a Curie temperature of 350 K and a residual resistivity of 60 µΩ cm. These results indicate that high-quality films, combining both large magnetization and small residual resistivity, were realized. A comparison between different samples presented in the literature shows that focussing on a single property is insufficient for the optimization of the deposition process. For high-quality films, all properties have to be adressed. For LSMO devices, the thin-film quality is crucial for the device performance. Therefore, this research is important for the application of LSMO in devices.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000290150900001	Publication Date	2011-04-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-3727;1361-6463;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.588	Times cited	99	Open Access
	Notes	This research was financially supported by the Dutch Science Foundation, by NanoNed, a nanotechnology program of the Dutch Ministry of Economic Affairs, and by the NanOxide program of the European Science Foundation. This work is supported in part by the Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, under contract DE-AC02-76SF00515.			Approved	Most recent IF: 2.588; 2011 IF: 2.544
	Call Number	UA @ lucian @ c:irua:89557UA @ admin @ c:irua:89557			Serial	2491
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	Author	Batuk, D.; Hadermann, J.; Abakumov, A.; Vranken, T.; Hardy, A.; van Bael, M.; Van Tendeloo, G.
	Title	Layered perovskite-like Pb₂Fe₂O₅ structure as a parent matrix for the nucleation and growth of crystallographic shear planes			Type	A1 Journal article
	Year	2011	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	50	Issue	11	Pages	4978-4986
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The Pb2Fe2O5 compound with a layered intergrowth structure has been prepared by a solid-state reaction at 700 °C. The incommensurate compound crystallizes in a tetragonal system with a = 3.9037(2) Å, c = 3.9996(4) Å, and q = 0.1186(4)c*, or when treated as a commensurate approximant, a = 3.9047(2) Å, c = 36.000(3) Å, space group I4/mmm. The crystal structure of Pb2Fe2O5 was resolved from transmission electron microscopy data. Atomic coordinates and occupancies of the cation positions were estimated from high-angle annular dark-field scanning transmission electron microscopy data. Direct visualization of the positions of the oxygen atoms was possible using annular bright-field scanning transmission electron microscopy. The structure can be represented as an intergrowth of perovskite blocks and partially disordered blocks with a structure similar to that of the Bi2O2 blocks in Aurivillius-type phases. The A-cation positions at the border of the perovskite block and the cation positions in the Aurivillius-type blocks are jointly occupied by Pb2+ and Fe3+ cations, resulting in a layer sequence along the c axis: PbOFeO2PbOFeO2Pb7/8Fe1/8O1xFe5/8Pb3/8O2Fe5/8Pb3/8. Upon heating, the layered Pb2Fe2O5 structure transforms into an anion-deficient perovskite modulated by periodically spaced crystallographic shear (CS) planes. Considering the layered Pb2Fe2O5 structure as a parent matrix for the nucleation and growth of CS planes allows an explanation of the specific microstructure observed for the CS structures in the PbFeO system.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000290978400038	Publication Date	2011-04-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0020-1669;1520-510X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.857	Times cited	16	Open Access
	Notes				Approved	Most recent IF: 4.857; 2011 IF: 4.601
	Call Number	UA @ lucian @ c:irua:90141			Serial	1809
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	Author	Apolinario, S.W.S.; Peeters, F.M.
	Title	Binary dusty plasma Coulomb balls			Type	A1 Journal article
	Year	2011	Publication	Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics	Abbreviated Journal	Phys Rev E
	Volume	83	Issue	4	Pages	041136,1-041136,8
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We investigated the mixing and segregation of a system consisting of two different species of particles, having different charges, interacting through a pure Coulomb potential, and confined in a three-dimensional parabolic trap. The structure of the cluster and its normal mode spectrum are analyzed as a function of the relative charge and the relative number of different types of particles. We found that (a) the system can be in a mixed or segregated state depending on the relative charge ratio parameter and (b) the segregation process is mediated by a first or second order structural phase transition which strongly influences the magic cluster properties of the system.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000290154900004	Publication Date	2011-04-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1539-3755;1550-2376;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.366	Times cited	10	Open Access
	Notes	; This work was supported by FACEPE (Fundacao de Amparo a Ciencia e Tecnologia do Estado de Pernambuco) and the Flemish Science Foundation (FWO-Vl). ;			Approved	Most recent IF: 2.366; 2011 IF: 2.255
	Call Number	UA @ lucian @ c:irua:89716			Serial	236
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	Author	Shenderova, O.; Koscheev, A.; Zaripov, N.; Petrov, I.; Skryabin, Y.; Detkov, P.; Turner, S.; Van Tendeloo, G.
	Title	Surface chemistry and properties of ozone-purified detonation nanodiamonds			Type	A1 Journal article
	Year	2011	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	115	Issue	20	Pages	9827-9837
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Nanodiamond from ozone purification (NDO) demonstrates very distinctive properties within the class of detonation nanodiamonds, namely very high acidity and high colloidal stability in a broad pH range. To understand the origin of these unusual properties of NDO, the nature of the surface functional groups formed during detonation soot oxidation by ozone needs to be revealed. In this work, thermal desorption mass spectrometry (TDMS) and IR spectroscopy were used for the identification of surface groups and it was concluded that carboxylic anhydride groups prevail on the NDO surface. On the basis of the temperature profiles of the desorbed volatile products and their mass balance, it is hypothesized that decomposition of carboxylic anhydride groups from NDO during heating proceeds by two different mechanisms. Other distinctive features of NDO in comparison with air-treated nanodiamond are also reported.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000290652200001	Publication Date	2011-04-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-7447;1932-7455;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.536	Times cited	105	Open Access
	Notes	Esteem 026019; Fwo			Approved	Most recent IF: 4.536; 2011 IF: 4.805
	Call Number	UA @ lucian @ c:irua:89556			Serial	3394
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	Author	Barreca, D.; Carraro, G.; Gasparotto, A.; Maccato, C.; Lebedev, O.I.; Parfenova, A.; Turner, S.; Tondello, E.; Van Tendeloo, G.
	Title	Tailored vapor-phase growth of Cu_xO-TiO₂(x=1,2) nanomaterials decorated with Au particles			Type	A1 Journal article
	Year	2011	Publication	Langmuir: the ACS journal of surfaces and colloids	Abbreviated Journal	Langmuir
	Volume	27	Issue	10	Pages	6409-6417
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We report on the fabrication of CuxOTiO2 (x = 1, 2) nanomaterials by an unprecedented vapor-phase approach. The adopted strategy involves the growth of porous CuxO matrices by means of chemical vapor deposition (CVD), followed by the controlled dispersion of TiO2 nanoparticles. The syntheses are performed on Si(100) substrates at temperatures of 400550 °C under wet oxygen atmospheres, adopting Cu(hfa)2·TMEDA (hfa =1,1,1,5,5,5-hexafluoro-2,4-pentanedionate; TMEDA = N,N,N′,N′-tetramethylethylenediamine) and Ti(O-iPr)2(dpm)2 (O-iPr = isopropoxy; dpm = 2,2,6,6-tetramethyl-3,5-heptanedionate) as copper and titanium precursors, respectively. Subsequently, finely dispersed gold nanoparticles are introduced in the as-prepared systems via radio frequency (RF)-sputtering under mild conditions. The synthesis process results in the formation of systems with chemical composition and nano-organization strongly dependent on the nature of the initial CuxO matrix and on the deposited TiO2 amount. The decoration with low-size gold clusters paves the way to the engineering of hierarchically organized nanomaterials.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000290292900082	Publication Date	2011-04-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0743-7463;1520-5827;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.833	Times cited	36	Open Access
	Notes	Fwo			Approved	Most recent IF: 3.833; 2011 IF: 4.186
	Call Number	UA @ lucian @ c:irua:88940			Serial	3467
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	Author	Grodzinska, D.; Pietra, F.; van Huis, M.A.; Vanmaekelbergh, D.; de Mello Donegá, C.
	Title	Thermally induced atomic reconstruction of PbSe/CdSe core/shell quantum dots into PbSe/CdSe bi-hemisphere hetero-nanocrystals			Type	A1 Journal article
	Year	2011	Publication	Journal of materials chemistry	Abbreviated Journal	J Mater Chem
	Volume	21	Issue	31	Pages	11556-11565
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The properties of hetero-nanocrystals (HNCs) depend strongly on the mutual arrangement of the nanoscale components. In this work we have investigated the structural and morphological evolution of colloidal PbSe/CdSe core/shell quantum dots upon annealing under vacuum. Prior to annealing the PbSe core has an approximately octahedral morphology with eight {111} facets, and the CdSe shell has zinc-blende crystal structure. Thermal annealing under vacuum at temperatures between 150 °C and 200 °C induces a structural and morphological reconstruction of the HNCs whereby the PbSe core and the CdSe shell are reorganized into two hemispheres joined by a common {111} Se plane. This thermally induced reconstruction leads to considerable changes in the optical properties of the colloidal PbSe/CdSe HNCs.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000293190200018	Publication Date	2011-04-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0959-9428;1364-5501;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	44	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:91945			Serial	3632
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	Author	Lobato, I.; Partoens, B.
	Title	Multiple Dirac particles in AA-stacked graphite and multilayers of graphene			Type	A1 Journal article
	Year	2011	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	83	Issue	16	Pages	165429-165429,9
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	Using the tight-binding formalism we show that in the recently experimentally realized AA-stacked graphite in essence two types of massless relativistic Dirac particles are present with a different effective speed of light. We also investigate how the electronic structure evolves from a single graphene sheet into AA-stacked graphite. It is shown that in contrast to AB-stacked graphene layers, the spectrum of AA-stacked graphene layers can be considered as a superposition of single-layer spectra and only particles with a linear spectrum at the Fermi energy around the K point are present. From the evolution of the band overlap we show that 6 multilayers of AA-stacked graphene already behave as AA-stacked graphite. The evolution of the effective speeds of light of the Dirac particles to their bulk values shows exactly the same behavior. The tight-binding parameters we use to describe AA-stacked graphite and multilayers of graphene are obtained by ab initio calculations.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000290113900005	Publication Date	2011-04-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	68	Open Access
	Notes	; ;			Approved	Most recent IF: 3.836; 2011 IF: 3.691
	Call Number	UA @ lucian @ c:irua:89717			Serial	2225
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	Author	Lindner, H.; Bogaerts, A.
	Title	Multi-element model for the simulation of inductively coupled plasmas : effects of helium addition to the central gas stream			Type	A1 Journal article
	Year	2011	Publication	Spectrochimica acta: part B : atomic spectroscopy	Abbreviated Journal	Spectrochim Acta B
	Volume	66	Issue	6	Pages	421-431
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	A model for an atmospheric pressure inductively coupled plasma (ICP) is developed which allows rather easy extension to a variable number of species and ionisation degrees. This encompasses an easy calculation of transport parameters for mixtures, ionisation and heat capacity. The ICP is modeled in an axisymmetric geometry, taking into account the gas streaming into a flowing ambient gas. A mixture of argon and helium is applied in the injector gas stream as it is often done in laser ablation ICP spectrometry. The results show a strong influence of the added helium on the center of the ICP, which is important for chemical analysis. The length of the central channel is significantly increased and the temperature inside is significantly higher than in the case of pure argon. This means that higher gas volume flow rates can be applied by addition of helium compared to the use of pure argon. This has the advantage that the gas velocity in the transport system towards the ICP can be increased, which allows shorter washout-times. Consequently, shorter measurement times can be achieved, e.g. for spatial mapping analyses in laser ablation ICP spectrometry. Furthermore, the higher temperature and the longer effective plasma length will increase the maximum size of droplets or particles injected into the ICP that are completely evaporated at the detection site. Thus, we expect an increase of the analytical performance of the ICP by helium addition to the injector gas.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000293488700003	Publication Date	2011-04-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0584-8547;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.241	Times cited	28	Open Access
	Notes				Approved	Most recent IF: 3.241; 2011 IF: 2.876
	Call Number	UA @ lucian @ c:irua:90190			Serial	2209
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	Author	Philippaerts, A.; Goossens, S.; Vermandel, W.; Tromp, M.; Turner, S.; Geboers, J.; Van Tendeloo, G.; Jacobs, P.A.; Sels, B.F.
	Title	Design of Ru-zeolites for hydrogen-free production of conjugated linoleic acid			Type	A1 Journal article
	Year	2011	Publication	Chemsuschem	Abbreviated Journal	Chemsuschem
	Volume	4	Issue	6	Pages	757-767
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	While conjugated vegetable oils are currently used as additives in the drying agents of oils and paints, they are also attractive molecules for making bio-plastics. Moreover, conjugated oils will soon be accepted as nutritional additives for functional food products. While current manufacture of conjugated vegetable oils or conjugated linoleic acids (CLAs) uses a homogeneous base as isomerisation catalyst, a heterogeneous alternative is not available today. This contribution presents the direct production of CLAs over Ru supported on different zeolites, varying in topology (ZSM-5, BETA, Y), Si/Al ratio and countercation (H+, Na+, Cs+). Ru/Cs-USY, with a Si/Al ratio of 40, was identified as the most active and selective catalyst for isomerisation of methyl linoleate (cis-9,cis-12 (C18:2)) to CLA at 165 °C. Interestingly, no hydrogen pre-treatment of the catalyst or addition of hydrogen donors is required to achieve industrially relevant isomerisation productivities, namely, 0.7 g of CLA per litre of solvent per minute. Moreover, the biologically most active CLA isomers, namely, cis-9,trans-11, trans-10,cis-12 and trans-9,trans-11, were the main products, especially at low catalyst concentrations. Ex situ physicochemical characterisation with CO chemisorption, extended X-ray absorption fine structure measurements, transmission electron microscopy analysis, and temperature-programmed oxidation reveals the presence of highly dispersed RuO2 species in Ru/Cs-USY(40).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000292214000009	Publication Date	2011-04-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1864-5631;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.226	Times cited	24	Open Access
	Notes	Fwo			Approved	Most recent IF: 7.226; 2011 IF: 6.827
	Call Number	UA @ lucian @ c:irua:90352			Serial	660
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	Author	Bogaerts, A.; Aghaei, M.; Autrique, D.; Lindner, H.; Chen, Z.; Wendelen, W.
	Title	Computer simulations of laser ablation, plume expansion and plasma formation			Type	H1 Book chapter
	Year	2011	Publication		Abbreviated Journal
	Volume		Issue		Pages	1-10
	Keywords	H1 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher	Trans Tech	Place of Publication	Aedermannsdorf	Editor
	Language		Wos	000292658900001	Publication Date	2011-04-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1662-8985;	ISBN	978-3-03785-081-7	Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	8	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:88340			Serial	470
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	Author	Molina, L.; Tan, H.; Biermans, E.; Batenburg, K.J.; Verbeeck, J.; Bals, S.; Van Tendeloo, G.
	Title	Barrier efficiency of sponge-like La₂Zr₂O₇ buffer layers for YBCO-coated conductors			Type	A1 Journal article
	Year	2011	Publication	Superconductor science and technology	Abbreviated Journal	Supercond Sci Tech
	Volume	24	Issue	6	Pages	065019-065019,8
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	Solution derived La2Zr2O7 films have drawn much attention for potential applications as thermal barriers or low-cost buffer layers for coated conductor technology. Annealing and coating parameters strongly affect the microstructure of La2Zr2O7, but different film processing methods can yield similar microstructural features such as nanovoids and nanometer-sized La2Zr2O7 grains. Nanoporosity is a typical feature found in such films and the implications for the functionality of the films are investigated by a combination of scanning transmission electron microscopy (STEM), electron energy-loss spectroscopy (EELS) and quantitative electron tomography. Chemical solution based La2Zr2O7 films deposited on flexible Ni5 at.%W substrates with a {100}lang001rang biaxial texture were prepared for an in-depth characterization. A sponge-like structure composed of nanometer-sized voids is revealed by high-angle annular dark-field scanning transmission electron microscopy in combination with electron tomography. A three-dimensional quantification of nanovoids in the La2Zr2O7 film is obtained on a local scale. Mostly non-interconnected highly faceted nanovoids compromise more than one-fifth of the investigated sample volume. The diffusion barrier efficiency of a 170 nm thick La2Zr2O7 film is investigated by STEM-EELS, yielding a 1.8 ± 0.2 nm oxide layer beyond which no significant nickel diffusion can be detected and intermixing is observed. This is of particular significance for the functionality of YBa2Cu3O7 − δ coated conductor architectures based on solution derived La2Zr2O7 films as diffusion barriers.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Bristol	Editor
	Language		Wos	000290472900021	Publication Date	2011-04-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-2048;1361-6668;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.878	Times cited	31	Open Access
	Notes	Esteem 026019; Fwo			Approved	Most recent IF: 2.878; 2011 IF: 2.662
	Call Number	UA @ lucian @ c:irua:88639UA @ admin @ c:irua:88639			Serial	221
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	Author	Lin, H.; Ohta, T.; Paul, A.; Hutchison, J.A.; Kirilenko, D.; Lebedev, O.; Van Tendeloo, G.; Hofkens, J.; Uji-i, H.
	Title	Light-assisted nucleation of silver nanowires during polyol synthesis			Type	A1 Journal article
	Year	2011	Publication	Journal of photochemistry and photobiology: A: chemistry	Abbreviated Journal	J Photoch Photobio A
	Volume	221	Issue	2/3	Pages	220-223
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	This report describes the effect of light irradiation on the synthesis of silver nanowires by the well-known polyol method. High quality nanowires are produced in high yields when the reaction suspension is irradiated with 400500 nm light during the nucleation stage. These studies suggest that light accelerates the formation of the nanoparticle seeds most appropriate for nanowire growth.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lausanne	Editor
	Language		Wos	000293813800018	Publication Date	2011-04-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1010-6030;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.625	Times cited	24	Open Access
	Notes	Fwo; Iap			Approved	Most recent IF: 2.625; 2011 IF: 2.421
	Call Number	UA @ lucian @ c:irua:91262			Serial	1818
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	Author	Hauchecorne, B.; Tytgat, T.; Verbruggen, S.W.; Hauchecorne, D.; Terrens, D.; Smits, M.; Vinken, K.; Lenaerts, S.
	Title	Photocatalytic degradation of ethylene : an FTIR in situ study under atmospheric conditions			Type	A1 Journal article
	Year	2011	Publication	Applied catalysis : B : environmental	Abbreviated Journal	Appl Catal B-Environ
	Volume	105	Issue	1/2	Pages	111-116
	Keywords	A1 Journal article; Engineering sciences. Technology; Molecular Spectroscopy (MolSpec); Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	In this paper, the reaction mechanism of the photocatalytic oxidation of ethylene is elucidated by means of an in-house developed FTIR in situ reactor. This reactor allowed us to look at the catalytic surface at the moment the reactions actually occur. This new approach gave some exciting new insights in how ethylene is photocatalytically oxidised. It was found that there is a change in dipole moment of the ethylene molecule when it is brought in the neighbourhood of the catalyst. From this finding, a hypothesis was formulated on how the CC-bond from ethylene will break. It was found that the aforementioned interaction between the catalyst and the molecule, allows the excited electrons from the UV irradiated catalyst to occupy the lowest unoccupied molecular orbital (LUMO) of the ethylene molecule through a process known as backdonation. Following this hypothesis, it was found that the degradation occurs through the formation of two intermediates: formaldehyde and formic acid, for which formaldehyde is bound in two different ways (coordinatively and as bidentate). Finally CO2 and H2O are found as end products, resulting in the complete mineralisation of the pollutant.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000291907400013	Publication Date	2011-04-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0926-3373	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.446	Times cited	29	Open Access
	Notes	; The authors wish to thank the University of Antwerp for the funding of this research; Evonik, who delivered the photocatalyst and the 3rd grade bachelor students of the bio-science engineering department, who accompanied us in this work: Britt Berghmans, Margot Goossens, Ozlem Kocak and Laurent Van Linden. ;			Approved	Most recent IF: 9.446; 2011 IF: 5.625
	Call Number	UA @ admin @ c:irua:89256			Serial	5978
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	Author	Wu, Z.; Peeters, F.M.; Chang, K.
	Title	Spin and momentum filtering of electrons on the surface of a topological insulator			Type	A1 Journal article
	Year	2011	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	98	Issue	16	Pages	162101,1-162101,3
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We investigate theoretically the transport properties of Dirac fermions on the surface of a three-dimensional topological insulator. Dirac electrons can be totally reflected in front of a magnetic/electric p-n junction. For a p-n-p structure, multiple total internal reflections at the interfaces result in the bound states in the channel, which behaves like an electronic waveguide. This p-n-p like structure exhibits spin and momentum filtering features and could be used as a spin and/or charge diode.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000289842700032	Publication Date	2011-04-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	33	Open Access
	Notes	; ;			Approved	Most recent IF: 3.411; 2011 IF: 3.844
	Call Number	UA @ lucian @ c:irua:89971			Serial	3076
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	Author	Ding, F.; Li, B.; Akopian, N.; Perinetti, U.; Chen, Y.H.; Peeters, F.M.; Rastelli, A.; Zwiller, V.; Schmidt, O.G.
	Title	Single neutral excitons confined in AsBr₃ in situ etched InGaAs quantum rings			Type	A1 Journal article
	Year	2011	Publication	Journal of nanoelectronics and optoelectronics	Abbreviated Journal	J Nanoelectron Optoe
	Volume	6	Issue	1	Pages	51-57
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	We observe the evolution of single self-assembled semiconductor quantum dots into quantum rings during AsBr3 in situ etching. The direct three-dimensional imaging of In(Ga)As nanostructures embedded in GaAs matrix is demonstrated by selective wet chemical etching combined with atomic force microscopy. Single neutral excitons confined in these quantum rings are studied by magneto-photoluminescence. Oscillations in the exciton radiative recombination energy and in the emission intensity are observed under an applied magnetic field. Further, we demonstrate that the period of the oscillations can be tuned by a gate potential that modifies the exciton confinement. The experimental results, combined with calculations, indicate that the exciton Aharonov-Bohm effect may account for the observed effects.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000290692200005	Publication Date	2011-04-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1555-130X;1555-1318;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	0.497	Times cited	3	Open Access
	Notes	; We acknowledge L. P. Kouwenhoven and Z. G. Wang for support, C. C. Bof Bufon, C. Deneke, V. Fomin, A. Govorov, S. Kiravittaya, and Wen-Hao Chang for their help and discussions. We are grateful for the financial support of NWO (VIDI), the CAS-MPG programm, the DFG (FOR730), BMBF (No. 01BM459), NSFC China (60625402), and Flemish Science Foundation (FWO-V1). ;			Approved	Most recent IF: 0.497; 2011 IF: 0.556
	Call Number	UA @ lucian @ c:irua:90187			Serial	3025
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	Author	Dzhurakhalov, A.A.; Peeters, F.M.
	Title	Structure and energetics of hydrogen chemisorbed on a single graphene layer to produce graphane			Type	A1 Journal article
	Year	2011	Publication	Carbon	Abbreviated Journal	Carbon
	Volume	49	Issue	10	Pages	3258-3266
	Keywords	A1 Journal article; Condensed Matter Theory (CMT); Integrated Molecular Plant Physiology Research (IMPRES)
	Abstract	Chemisorption of hydrogen on graphene is studied using atomistic simulations with the second generation of reactive empirical bond order Brenner inter-atomic potential. The lowest energy adsorption sites and the most important metastable sites are determined. The H concentration is varied from a single H atom, to clusters of H atoms up to full coverage. We found that when two or more H atoms are present, the most stable configurations of H chemisorption on a single graphene layer are ortho hydrogen pairs adsorbed on one side or on both sides of the graphene sheet. The latter has the highest hydrogen binding energy. The next stable configuration is the orthopara pair combination, and then para hydrogen pairs. The structural changes of graphene caused by chemisorbed hydrogen are discussed and are compared with existing experimental data and other theoretical calculations. The obtained results will be useful for nanoengineering of graphene by hydrogenation and for hydrogen storage.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000291959300014	Publication Date	2011-04-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0008-6223;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.337	Times cited	46	Open Access
	Notes	; A.D. thanks M.W. Zhao for a useful correspondence. This work was supported by the Belgian Science Policy (IAP) and the Flemish Science Foundation (FWO-VI). ;			Approved	Most recent IF: 6.337; 2011 IF: 5.378
	Call Number	UA @ lucian @ c:irua:90877			Serial	3275
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	Author	de Clippel, F.; Harkiolakis, A.; Vosch, T.; Ke, X.; Giebeler, L.; Oswald, S.; Houthoofd, K.; Jammaer, J.; Van Tendeloo, G.; Martens, J.A.; Jacobs, P.A.; Baron, G.V.; Sels, B.F.; Denayer, J.F.M.
	Title	Graphitic nanocrystals inside the pores of mesoporous silica : synthesis, characterization and an adsorption study			Type	A1 Journal article
	Year	2011	Publication	Microporous and mesoporous materials: zeolites, clays, carbons and related materials	Abbreviated Journal	Micropor Mesopor Mat
	Volume	144	Issue	1/3	Pages	120-133
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	This work presents a new carbonsilica hybrid material, denoted as CSM, with remarkable sorption properties. It consists of intraporous graphitic nanocrystals grown in the pores of mesoporous silica. CSM is obtained by a subtle incipient wetness impregnation of Al-containing mesoporous silica with furfuryl alcohol (FA)/hemelitol solutions. Both the volume match of the impregnation solution with that of the silica template pore volume, and the presence of Al3+ in the silica, are crucial to polymerize FA selectively inside the mesopores. Carbonization of the intraporous polymer was then performed by pyrolysis under He up to 1273 K. The resulting CSMs were examined by SEM, HRTEM, 27Al MAS NMR, N2 adsorption, XRD, TGA, TPD, XPS, pycnometry and Raman spectroscopy. Mildly oxidized graphitic-like carbon nanoblocks, consisting of a few graphene-like sheets, were thus identified inside the template mesopores. Random stacking of these carbon crystallites generates microporosity resulting in biporous materials at low carbon content and microporous materials at high carbon loadings. Very narrow pore distributions were obtained when pyrolysis was carried out under slow heating rate, viz. 1 K min−1. Adsorption and shape selective properties of the carbon filled mesoporous silica were studied by performing pulse chromatography and breakthrough experiments, and by measuring adsorption isotherms of linear and branched alkanes. Whereas the parent mesoporous silica shows unselective adsorption, their CSM analogues preferentially adsorb linear alkanes. The sorption capacity and selectivity can be adjusted by changing the pore size of the template or by varying the synthesis conditions. A relation between the carbon crystallites size and the shape selective behaviour of the corresponding CSM for instance is demonstrated. Most interestingly, CSM shows separation factors for linear and branched alkanes up to values comparable to those of zeolitic molecular sieves.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000293435400016	Publication Date	2011-04-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1387-1811;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.615	Times cited	15	Open Access
	Notes				Approved	Most recent IF: 3.615; 2011 IF: 3.285
	Call Number	UA @ lucian @ c:irua:92325			Serial	1380
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