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Author	Tkachenko, D.V.; Sheridan, T.E.; Misko, V.R.
Title	Dispersion relations for circular single and double dusty plasma chains			Type	A1 Journal article
Year	2011	Publication	Physics of plasmas	Abbreviated Journal	Phys Plasmas
Volume	18	Issue	10	Pages	103709,1-103709,10
Keywords	A1 Journal article; Condensed Matter Theory (CMT)
Abstract	We derive dispersion relations for a system of identical particles confined in a two-dimensional annular harmonic well and which interact through a Yukawa potential, e.g., a dusty plasma ring. When the particles are in a single chain (i.e., a one-dimensional ring), we find a longitudinal acoustic mode and a transverse optical mode which show approximate agreement with the dispersion relation for a straight configuration for large radii of the ring. When the radius decreases, the dispersion relations modify: there appears an anticrossing of the modes near the crossing point resulting in a frequency gap between the lower and upper branches of the modified dispersion relations. For the double chain (i.e., a two-dimensional zigzag configuration), the dispersion relation has four branches: longitudinal acoustic and optical and transverse acoustic and optical.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Woodbury, N.Y.	Editor
Language		Wos	000296529600090	Publication Date	2011-10-21
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1070-664X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.115	Times cited	7	Open Access
Notes	; We acknowledge fruitful discussions with F.M. Peeters, A. Matulis, and W.P. Ferreira. This work was supported by the “Odysseus” program of the Flemish Government and FWO-Vl. ;			Approved	Most recent IF: 2.115; 2011 IF: 2.147
Call Number	UA @ lucian @ c:irua:94052			Serial	738
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Author	Si, X.-J.; Zhao, S.-X.; Xu, X.; Bogaerts, A.; Wang, Y.-N.
Title	Fluid simulations of frequency effects on nonlinear harmonics in inductively coupled plasma			Type	A1 Journal article
Year	2011	Publication	Physics of plasmas	Abbreviated Journal	Phys Plasmas
Volume	18	Issue	3	Pages	033504-033504,9
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	A fluid model is self-consistently established to investigate the harmonic effects in an inductively coupled plasma, where the electromagnetic field is solved by the finite difference time domain technique. The spatiotemporal distribution of harmonic current density, harmonic potential, and other plasma quantities, such as radio frequency power deposition, plasma density, and electron temperature, have been investigated. Distinct differences in current density have been observed when calculated with and without Lorentz force, which indicates that the nonlinear Lorentz force plays an important role in the harmonic effects, especially at low frequencies. Moreover, the even harmonics are larger than the odd harmonics both in the current density and the potential. Finally, the dependence of various plasma quantities with and without the Lorentz force on various driving frequencies is also examined. It is shown that the deposited power density decreases and the depth of penetration increases slightly because of the Lorentz force. The electron density increases distinctly while the electron temperature remains almost the same when the Lorentz force is taken into account.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Woodbury, N.Y.	Editor
Language		Wos	000289151900073	Publication Date	2011-03-18
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1070-664X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.115	Times cited	7	Open Access
Notes				Approved	Most recent IF: 2.115; 2011 IF: 2.147
Call Number	UA @ lucian @ c:irua:87876			Serial	1233
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Author	Müller, M.; Turner, S.; Lebedev, O.I.; Wang, Y.; Van Tendeloo, G.; Fischer, R.A.
Title	Au@MOF-5 and Au/Mo_x@MOF-5 (M = Zn, Ti; x = 1, 2) : preparation and microstructural characterisation			Type	A1 Journal article
Year	2011	Publication	European journal of inorganic chemistry	Abbreviated Journal	Eur J Inorg Chem
Volume		Issue	12	Pages	1876-1887
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	The Zn-carboxylate-based porous coordination polymer MOF-5 [Zn4O(bdc)3] and the metal oxide loaded materials ZnO@MOF-5 and TiO2@MOF-5 were loaded in a second step with the precursor [ClAuCO] to yield intermediate materials denoted as [ClAuCO]@MOF-5, [ClAuCO]/ZnO@MOF-5 and [ClAuCO]/TiO2@MOF-5. These composites were decomposed to Au@MOF-5, Au/ZnO@MOF-5 and Au/TiO2@MOF-5 under hydrogen at 100 °C. The nanoparticle-loaded hybrid materials were characterised by powder X-ray diffraction (PXRD), IR spectroscopy, X-ray photoelectron spectroscopy (XPS) and N2 sorption measurements, which reveal an intact MOF-5 structure that maintains a high specific surface area. For Au@MOF-5, crystalline Au nanoparticles were distributed over the MOF matrix in a homogeneous fashion with a size of ca. 13 nm, evidenced by high resolution transmission electron microscopy. In the case of Au/ZnO@MOF-5, the Au and metal oxide particles of a few nm in size were coexistent in a given volume of the MOF-5 matrix and were not separated in different crystalline MOF particles. For the TiO2 loaded materials the oxide is preferentially located near the outer surface of the MOF particles, leading to an increase of larger exterior Au particles in comparison to very small interior Au particles as observed for the other materials. Au@MOF-5, Au/ZnO@MOF-5 and Au/TiO2@MOF-5 were tested in liquid-phase oxidation of alcohols. Preliminary results show a high activity for the Au loaded materials in this reaction. This observation is attributed to the microstructure of the composites with very small Au particles distributed homogeneously over the MOF matrix.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Weinheim	Editor
Language		Wos	000289644300004	Publication Date	2011-03-09
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1434-1948;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.444	Times cited	75	Open Access
Notes	Fwo; Esteem 026019			Approved	Most recent IF: 2.444; 2011 IF: 3.049
Call Number	UA @ lucian @ c:irua:88644			Serial	205
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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	Kirsanova, M.A.; Olenev, A.V.; Abakumov, A.M.; Bykov, M.A.; Shevelkov, A.V.
Title	Extension of the clathrate family : the type X clathrate Ge₇₉P₂₉S₁₈Te₆			Type	A1 Journal article
Year	2011	Publication	Angewandte Chemie: international edition in English	Abbreviated Journal	Angew Chem Int Edit
Volume	50	Issue	10	Pages	2371-2374
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Now they are 10! The title compound displays a new type of crystal structure and is labeled clathrate X according to the general classification of clathrate structures. In contrast to typical clathrates, this compound has three-coordinate atoms within the framework and combines distorted 24-vertex polyhedra (see picture, green) centered around tellurium guest atoms with very irregular 10-vertex polyhedra around sulfur atoms (yellow).
Address
Corporate Author				Thesis
Publisher		Place of Publication	Weinheim	Editor
Language		Wos	000288036300033	Publication Date	2011-01-31
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1433-7851;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	11.994	Times cited	23	Open Access
Notes				Approved	Most recent IF: 11.994; 2011 IF: 13.455
Call Number	UA @ lucian @ c:irua:88793			Serial	1158
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Author	De Bie, C.; Verheyde, B.; Martens, T.; van Dijk, J.; Paulussen, S.; Bogaerts, A.
Title	Fluid modeling of the conversion of methane into higher hydrocarbons in an atmospheric pressure dielectric barrier discharge			Type	A1 Journal article
Year	2011	Publication	Plasma processes and polymers	Abbreviated Journal	Plasma Process Polym
Volume	8	Issue	11	Pages	1033-1058
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	A one-dimensional fluid model for a dielectric barrier discharge in methane, used as a chemical reactor for gas conversion, is developed. The model describes the gas phase chemistry governing the conversion process of methane to higher hydrocarbons. The spatially averaged densities of the various plasma species as a function of time are discussed. Besides, the conversion of methane and the yields of the reaction products as a function of the residence time in the reactor are shown and compared with experimental data. Higher hydrocarbons (C2Hy and C3Hy) and hydrogen gas are typically found to be important reaction products. Furthermore, the main underlying reaction pathways are determined.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Weinheim	Editor
Language		Wos	000297745500005	Publication Date	2011-07-11
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1612-8850;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.846	Times cited	70	Open Access
Notes				Approved	Most recent IF: 2.846; 2011 IF: 2.468
Call Number	UA @ lucian @ c:irua:92443			Serial	1227
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Author	Chen, L.-H.; Li, X.-Y.; Tian, G.; Li, Y.; Tan, H.-Y.; Van Tendeloo, G.; Zhu, G.-S.; Qiu, S.-L.; Yang, X.-Y.; Su, B.-L.
Title	Multimodal zeolite-beta-based catalysts with a hierarchical, three-level pore structure			Type	A1 Journal article
Year	2011	Publication	Chemsuschem	Abbreviated Journal	Chemsuschem
Volume	4	Issue	10	Pages	1452-1456
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Hole diggers: The hierarchically structured porous solid-acid catalyst described in this report possess a remarkable pore system, encompassing well-defined macrochannels, interconnected mesopores, intracrystalline mesopores, and tunable zeolite micropores. Importantly, the catalyst exhibits very strong acidity and superior catalytic activity for esterification reactions.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Weinheim	Editor
Language		Wos	000296497400009	Publication Date	2011-08-16
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	33	Open Access
Notes	Iap			Approved	Most recent IF: 7.226; 2011 IF: 6.827
Call Number	UA @ lucian @ c:irua:93675			Serial	2223
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Author	Vernimmen, J.; Meynen, V.; Herregods, S.J.F.; Mertens, M.; Lebedev, O.I.; Van Tendeloo, G.; Cool, P.
Title	New insights in the formation of combined zeolitic/mesoporous materials by using a one-pot templating synthesis			Type	A1 Journal article
Year	2011	Publication	European journal of inorganic chemistry	Abbreviated Journal	Eur J Inorg Chem
Volume		Issue	27	Pages	4234-4240
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Abstract	Zeolitic growth is often absent or occurs in separate phases when synthetic strategies based on the combination of zeolite templates and mesopore templating agents are applied. In this work, zeolitic growth and mesopore formation have been investigated at different temperatures by applying a one-pot templating approach, based on a TS-1 zeolite synthesis whereby part of the microtemplate (tetrapropylammonium hydroxide, TPAOH) is replaced by a mesotemplate (hexadecyltrimethylammonium bromide, CTMABr). Moreover, the synthesis duration and the molar ratio of the microtemplate/mesotemplate have also been studied. The different syntheses clearly show the inherent competitive mechanism between zeolitic growth and mesopore formation. These insights have led to the conclusion that by following a one-pot templating strategy with standard, nonexotic commercial templates, i.e. CTMABr and TPAOH, it is not possible to develop a true hierarchical mesoporous zeolite, meaning a mesoporous siliceous material with highly crystalline zeolitic walls. The resultant materials are instead combined zeolitic/mesoporous composite structures with, however, highly tuneable and controllable porosity characteristics.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Weinheim	Editor
Language		Wos	000296143500014	Publication Date	2011-08-17
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1434-1948;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.444	Times cited	7	Open Access
Notes	Fwo			Approved	Most recent IF: 2.444; 2011 IF: 3.049
Call Number	UA @ lucian @ c:irua:91574			Serial	2315
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Author	Kirsanova, M.A.; Reshetova, L.N.; Olenev, A.V.; Abakumov, A.M.; Shevelkov, A.V.
Title	Semiclathrates of the GePTe system : synthesis and crystal structures			Type	A1 Journal article
Year	2011	Publication	Chemistry: a European journal	Abbreviated Journal	Chem-Eur J
Volume	17	Issue	20	Pages	5719-5726
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Novel compounds [Ge46−xPx]Tey (13.9≤x≤15.6, 5.92≤y≤7.75) with clathrate-like structures have been prepared and structurally characterized. They crystallize in the space group Fmequation image with the unit cell parameter changing from 20.544(2) to 20.698(2) Å (Z=8) on going from x=13.9 to x=15.6. Their crystal structure is composed of a covalently bonded Ge[BOND]P framework that hosts tellurium atoms in the guest positions and can be viewed as a peculiar variant of the type I clathrate superstructure. In contrast to the conventional type I clathrates, [Ge46−xPx]Tey contain tricoordinated (3b) atoms and no vacancies in the framework positions. As a consequence of the transformation of the framework, the majority of the guest tellurium atoms form a single covalent bond with the host framework and thus the title compounds are the first representative of semiclathrates with covalent bonding. A comparison is made with silicon clathrates and the evolution of the crystal structure upon changing the tellurium content is discussed.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Weinheim	Editor
Language		Wos	000290216000028	Publication Date	2011-04-05
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0947-6539;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	5.317	Times cited	17	Open Access
Notes				Approved	Most recent IF: 5.317; 2011 IF: 5.925
Call Number	UA @ lucian @ c:irua:89773			Serial	2981
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Author	Tinck, S.; Bogaerts, A.; Shamiryan, D.
Title	Simultaneous etching and deposition processes during the etching of silicon with a Cl₂/O₂/Ar inductively coupled plasma			Type	A1 Journal article
Year	2011	Publication	Plasma processes and polymers	Abbreviated Journal	Plasma Process Polym
Volume	8	Issue	6	Pages	490-499
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	In this article, surface processes occurring during the etching of Si with a Cl2/O2/Ar plasma are investigated by means of experiments and modeling. Cl2-based plasmas are commonly used to etch silicon, while a small fraction of O2 is added to protect the sidewalls from lateral etching during the shallow trench isolation process. When the oxygen fraction exceeds a critical value, the wafer surface process changes from an etching regime to a deposition regime, drastically reducing the etch rate. This effect is commonly referred to as the etch stop phenomenon. To gain better understanding of this mechanism, the oxygen fraction is varied in the gas mixture and special attention is paid to the effects of oxygen and of the redeposition of non-volatile etched species on the overall etch/deposition process. It is found that, when the O2 flow is increased, the etch process changes from successful etching to the formation of a rough surface, and eventually to the actual growth of an oxide layer which completely blocks the etching of the underlying Si. The size of this etch stop island was found to increase as a function of oxygen flow, while its thickness was dependent on the amount of Si etched. This suggests that the growth of the oxide layer mainly depends on the redeposition of non-volatile etch products. The abrupt change in the etch rate as a function of oxygen fraction was not found back in the oxygen content of the plasma, suggesting the competitive nature between oxidation and chlorination at the wafer. Finally, the wafer and reactor wall compositions were investigated by modeling and it was found that the surface rapidly consisted mainly of SiO2 when the O2 flow was increased above about 15 sccm.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Weinheim	Editor
Language		Wos	000292116800003	Publication Date	2011-03-29
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1612-8850;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.846	Times cited	5	Open Access
Notes				Approved	Most recent IF: 2.846; 2011 IF: 2.468
Call Number	UA @ lucian @ c:irua:90926			Serial	3014
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Author	Lin, K.; Lebedev, O.I.; Van Tendeloo, G.; Jacobs, P.A.; Pescarmona, P.P.
Title	Titanosilicate beads with hierarchical porosity : synthesis and application as epoxidation catalysts			Type	A1 Journal article
Year	2011	Publication	Chemistry: a European journal	Abbreviated Journal	Chem-Eur J
Volume	16	Issue	45	Pages	13509-13518
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Porous titanosilicate beads with a diameter of 0.51.5 mm (TiSil-HPB-60) were synthesized from a preformed titanosilicate solution with a porous anion-exchange resin as template. The bead format of this material enables its straightforward separation from the reaction mixture in its application as a liquid-phase heterogeneous catalyst. The material displays hierarchical porosity (micro/mesopores) and incipient TS-1 structure building units. The titanium species are predominantly located in tetrahedral framework positions. TiSil-HPB-60 is a highly active catalyst for the epoxidation of cyclohexene with t-butyl hydroperoxide (TBHP) and aqueous H2O2. With both oxidants, TiSil-HPB-60 gave higher epoxide yields than Ti-MCM-41 and TS-1. The improved catalytic performance of TiSil-HPB-60 is mainly ascribed to the large mesopores favoring the diffusion of reagents and products to and from the titanium active sites. The epoxide yield and selectivity could be further improved by silylation of the titanosilicate beads. Importantly, TiSil-HPB-60 is a stable catalyst immune to titanium leaching, and can be easily recovered and reused in successive catalytic cycles without significant loss of activity. Moreover, TiSil-HPB-60 is active and selective in the epoxidation of a wide range of bulky alkenes.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Weinheim	Editor
Language		Wos	000285398400029	Publication Date	2010-10-07
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0947-6539;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	5.317	Times cited	38	Open Access
Notes	Iap; Goa			Approved	Most recent IF: 5.317; 2011 IF: 5.925
Call Number	UA @ lucian @ c:irua:88153			Serial	3668
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Author	Grodzińska, D.; Evers, W.H.; Dorland, R.; van Rijssel, J.; van Huis, M.A.; Meijerink, A.; de Mello Donegá, C.; Vanmaekelbergh, D.
Title	Two-fold emission from the S-shell of PbSe/CdSe core/shell quantum dots			Type	A1 Journal article
Year	2011	Publication	Small	Abbreviated Journal	Small
Volume	7	Issue	24	Pages	3493-3501
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	The optical properties of PbSe/CdSe core/shell quantum dots with core sizes smaller than 4 nm in the 5300 K range are reported. The photoluminescence spectra show two peaks, which become increasingly separated in energy as the core diameter is reduced below 4 nm. It is shown that these peaks are due to intrinsic exciton transitions in each quantum dot, rather than emission from different quantum dot sub-ensembles. Most likely, the energy separation between the peaks is due to inter-valley coupling between the L-points of PbSe. The temperature dependence of the relative intensities of the peaks implies that the two emitting states are not in thermal equilibrium and that dark exciton states must play an important role.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Weinheim	Editor
Language		Wos	000298298300012	Publication Date	2011-10-21
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1613-6810;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	8.643	Times cited	23	Open Access
Notes				Approved	Most recent IF: 8.643; 2011 IF: 8.349
Call Number	UA @ lucian @ c:irua:94371			Serial	3781
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Author	Idrissi, H.; Wang, B.; Colla, M.S.; Raskin, J.P.; Schryvers, D.; Pardoen, T.
Title	Ultrahigh strain hardening in thin palladium films with nanoscale twins			Type	A1 Journal article
Year	2011	Publication	Advanced materials	Abbreviated Journal	Adv Mater
Volume	23	Issue	18	Pages	2119-2122
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Nanocrystalline Pd thin films containing coherent growth twin boundaries are deformed using on-chip nanomechanical testing. A large work-hardening capacity is measured. The origin of the observed behavior is unraveled using transmission electron microscopy and shows specific dislocations and twin boundaries interactions. The results indicate the potential for large strength and ductility balance enhancement in Pd films, as needed in membranes for H technologies.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Weinheim	Editor
Language		Wos	000291164200013	Publication Date	2011-04-04
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0935-9648;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	19.791	Times cited	57	Open Access
Notes	Iap			Approved	Most recent IF: 19.791; 2011 IF: 13.877
Call Number	UA @ lucian @ c:irua:90103			Serial	3794
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Author	Philippaerts, A.; Paulussen, S.; Breesch, A.; Turner, S.; Lebedev, O.I.; Van Tendeloo, G.; Sels, B.; Jacobs, P.
Title	Unprecedented shape selectivity in hydrogenation of triacylglycerol molecules with Pt/ZSM-5 zeolite			Type	A1 Journal article
Year	2011	Publication	Angewandte Chemie: international edition in English	Abbreviated Journal	Angew Chem Int Edit
Volume	50	Issue	17	Pages	3947-3949
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Well tuned: ZSM-5 with platinum nanoparticles preferably hydrogenates trans fatty acids over cis isomers in model triacylglycerols for geometric reasons. The central fatty acid chain reacts faster, pointing to pore mouth adsorption in a tuning fork conformation (see picture). This conformation induces stepwise hydrogenation, resulting in fast removal of the unstable central triene, while formation of saturated chains is limited.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Weinheim	Editor
Language		Wos	000289514100025	Publication Date	2011-03-18
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1433-7851;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	11.994	Times cited	31	Open Access
Notes				Approved	Most recent IF: 11.994; 2011 IF: 13.455
Call Number	UA @ lucian @ c:irua:88381			Serial	3814
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Author	Yang, X.-Y.; Tian, G.; Chen, L.-H.; Li, Y.; Rooke, J.C.; Wei, Y.-X.; Liu, Z.-M.; Deng, Z.; Van Tendeloo, G.; Su, B.-L.
Title	Well-organized zeolite nanocrystal aggregates with interconnected hierarchically micro-meso-macropore systems showing enhanced catalytic performance			Type	A1 Journal article
Year	2011	Publication	Chemistry: a European journal	Abbreviated Journal	Chem-Eur J
Volume	17	Issue	52	Pages	14987-14995
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Preparation and characterization of well-organized zeolitic nanocrystal aggregates with an interconnected hierarchically micromesomacro porous system are described. Amorphous nanoparticles in bimodal aluminosilicates were directly transformed into highly crystalline nanosized zeolites, as well as acting as scaffold template. All pores on three length scales incorporated in one solid body are interconnected with each other. These zeolitic nanocrystal aggregates with hierarchically micromesomacroporous structure were thoroughly characterized. TEM images and 29Si NMR spectra showed that the amorphous phase of the initial material had been completely replaced by nanocrystals to give a micromesomacroporous crystalline zeolitic structure. Catalytic testing demonstrated their superiority due to the highly active sites and the presence of interconnected micromesomacroporosity in the cracking of bulky 1,3,5-triisopropylbenzene (TIPB) compared to traditional zeolite catalysts. This synthesis strategy was extended to prepare various zeolitic nanocrystal aggregates (ZSM-5, Beta, TS-1, etc.) with well-organized hierarchical micromesomacroporous structures.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Weinheim	Editor
Language		Wos	000298547300035	Publication Date	2011-11-23
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0947-6539;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	5.317	Times cited	61	Open Access
Notes				Approved	Most recent IF: 5.317; 2011 IF: 5.925
Call Number	UA @ lucian @ c:irua:96274			Serial	3913
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Author	Li, Y.; Tan, H.; Yang, X.-Y.; Goris, B.; Verbeeck, J.; Bals, S.; Colson, P.; Cloots, R.; Van Tendeloo, G.; Su, B.-L.
Title	Well shaped Mn₃O₄ nano-octahedra with anomalous magnetic behavior and enhanced photodecomposition properties			Type	A1 Journal article
Year	2011	Publication	Small	Abbreviated Journal	Small
Volume	7	Issue	4	Pages	475-483
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Very uniform and well shaped Mn3O4 nano-octahedra are synthesized using a simple hydrothermal method under the help of polyethylene glycol (PEG200) as a reductant and shape-directing agent. The nano-octahedra formation mechanism is monitored. The shape and crystal orientation of the nanoparticles is reconstructed by scanning electron microscopy and electron tomography, which reveals that the nano-octahedra only selectively expose {101} facets at the external surfaces. The magnetic testing demonstrates that the Mn3O4 nano-octahedra exhibit anomalous magnetic properties: the Mn3O4 nano-octahedra around 150 nm show a similar Curie temperature and blocking temperature to Mn3O4 nanoparticles with 10 nm size because of the vertical axis of [001] plane and the exposed {101} facets. With these Mn3O4 nano-octahedra as a catalyst, the photodecomposition of rhodamine B is evaluated and it is found that the photodecomposition activity of Mn3O4 nano-octahedra is much superior to that of commercial Mn3O4 powders. The anomalous magnetic properties and high superior photodecomposition activity of well shaped Mn3O4 nano-octahedra should be related to the special shape of the nanoparticles and the abundantly exposed {101} facets at the external surfaces. Therefore, the shape preference can largely broaden the application of the Mn3O4 nano-octahedra.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Weinheim	Editor
Language		Wos	000288080400008	Publication Date	2011-01-21
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1613-6810;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	8.643	Times cited	131	Open Access
Notes	This work was realized in the frame of an Interuniversity Attraction Poles Program (Inanomat-P6/17)-Belgian State-Belgian Science Policy and the project “Redugaz”, financially supported by the European community and the Wallon government in the frame of Interreg IV (France-Wallonie). B. L. S. acknowledges the Chinese Central Government for an “Expert of the State” position in the program of “Thousand talents” and the Chinese Ministry of Education for a Changjiang Scholar position at the Wuhan University of Technology. H. T. acknowledges the financial support from FWO-Vlaanderen (Project nr. G.0147.06). J.V. thanks the financial support from the European Union under Framework 6 program for Integrated Infrastructure Initiative, Reference 026019 ESTEEM.			Approved	Most recent IF: 8.643; 2011 IF: 8.349
Call Number	UA @ lucian @ c:irua:87908			Serial	3914
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Author	Abakumov, A.M.; Batuk, D.; Hadermann, J.; Rozova, M.G.; Sheptyakov, D.V.; Tsirlin, A.A.; Niermann, D.; Waschowski, F.; Hemberger, J.; Van Tendeloo, G.; Antipov, E.V.
Title	Antiferroelectric (Pb,Bi)_1-xFe_1+xO_3-y perovskites modulated by crystallographic shear planes			Type	A1 Journal article
Year	2011	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
Volume	23	Issue	2	Pages	255-265
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	We demonstrate for the first time a possibility to vary the anion content in perovskites over a wide range through a long-range-ordered arrangement of crystallographic shear (CS) planes. Anion-deficient perovskites (Pb,Bi)1−xFe1+xO3−y with incommensurately modulated structures were prepared as single phases in the compositional range from Pb0.857Bi0.094Fe1.049O2.572 to Pb0.409Bi0.567Fe1.025O2.796. Using a combination of electron diffraction and high-resolution scanning transmission electron microscopy, we constructed a superspace model describing a periodic arrangement of the CS planes. The model was verified by refinement of the Pb0.64Bi0.32Fe1.04O2.675 crystal structure from neutron powder diffraction data ((3 + 1)D S.G. X2/m(α0γ), X = [1/2,1/2,1/2,1/2], a = 3.9082(1) Å, b = 3.90333(8) Å, c = 4.0900(1) Å, β = 91.936(2)°, q = 0.05013(4)a* + 0.09170(3)c* at T = 700 K, RP = 0.036, RwP = 0.048). The (Pb,Bi)1−xFe1+xO3−y structures consist of perovskite blocks separated by CS planes confined to nearly the (509)p perovskite plane. Along the CS planes, the perovskite blocks are shifted with respect to each other over the 1/2[110]p vector that transforms the corner-sharing connectivity of the FeO6 octahedra in the perovskite framework to an edge-sharing connectivity of the FeO5 pyramids at the CS plane, thus reducing the oxygen content. Variation of the chemical composition in the (Pb,Bi)1−xFe1+xO3−y series occurs mainly because of a changing thickness of the perovskite block between the interfaces, that can be expressed through the components of the q vector as Pb6γ+2αBi1−7γ−αFe1+γ−αO3−3γ−α. The Pb, Bi, and Fe atoms are subjected to strong displacements occurring in antiparallel directions on both sides of the perovskite blocks, resulting in an antiferroelectric-type structure. This is corroborated by the temperature-, frequency-, and field-dependent complex permittivity measurements. Pb0.64Bi0.32Fe1.04O2.675 demonstrates a remarkably high resistivity >0.1 T Ω cm at room temperature and orders antiferromagnetically below TN = 608(10) K.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Washington, D.C.	Editor
Language		Wos	000286160800018	Publication Date	2010-12-23
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0897-4756;1520-5002;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	9.466	Times cited	29	Open Access
Notes				Approved	Most recent IF: 9.466; 2011 IF: 7.286
Call Number	UA @ lucian @ c:irua:88651			Serial	136
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Author	Belik, A.A.; Abakumov, A.M.; Tsirlin, A.A.; Hadermann, J.; Kim, J.; Van Tendeloo, G.; Takayama-Muromachi, E.
Title	Article Structure and magnetic properties of BiFe_0.75Mn_0.25O₃ perovskite prepared at ambient and high pressure			Type	A1 Journal article
Year	2011	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
Volume	23	Issue	20	Pages	4505-4514
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Solid solutions of BiFe1xMnxO3 (0.0 ≤ x ≤ 0.4) were prepared at ambient pressure and at 6 GPa. The ambient-pressure (AP) phases crystallize in space group R3c similarly to BiFeO3. The high-pressure (HP) phases crystallize in space group R3c for x = 0.05 and in space group Pnma for 0.15 ≤ x ≤ 0.4. The structure of HP-BiFe0.75Mn0.25O3 was investigated using synchrotron X-ray powder diffraction, electron diffraction, and transmission electron microscopy. HP-BiFe0.75Mn0.25O3 has a PbZrO3-related √2ap × 4ap × 2√2ap (ap is the parameter of the cubic perovskite subcell) superstructure with a = 5.60125(9) Å, b = 15.6610(2) Å, and c = 11.2515(2) Å similar to that of Bi0.82La0.18FeO3. A remarkable feature of this structure is the unconventional octahedral tilt system, with the primary ab0a tilt superimposed on pairwise clockwise and counterclockwise rotations around the b-axis according to the oioi sequence (o stands for out-of-phase tilt, and i stands for in-phase tilt). The (FeMn)O6 octahedra are distorted, with one longer metaloxygen bond (2.222.23 Å) that can be attributed to a compensation for covalent BiO bonding. Such bonding results in the localization of the lone electron pair on Bi3+ cations, as confirmed by electron localization function analysis. The relationship between HP-BiFe0.75Mn0.25O3 and antiferroelectric structures of PbZrO3 and NaNbO3 is discussed. On heating in air, HP-BiFe0.75Mn0.25O3 irreversibly transforms to AP-BiFe0.75Mn0.25O3 starting from about 600 K. Both AP and HP phases undergo an antiferromagnetic ordering at TN ≈ 485 and 520 K, respectively, and develop a weak net magnetic moment at low temperatures. Additionally, ceramic samples of AP-BiFe0.75Mn0.25O3 show a peculiar phenomenon of magnetization reversal.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Washington, D.C.	Editor
Language		Wos	000295897400015	Publication Date	2011-09-29
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0897-4756;1520-5002;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	9.466	Times cited	57	Open Access
Notes				Approved	Most recent IF: 9.466; 2011 IF: 7.286
Call Number	UA @ lucian @ c:irua:93581			Serial	151
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Author	Bittencourt, C.; Navio, C.; Nicolay, A.; Ruelle, B.; Godfroid, T.; Snyders, R.; Colomer, J.-F.; Lagos, M.J.; Ke, X.; Van Tendeloo, G.; Suarez-Martinez, I.; Ewels, C.P.
Title	Atomic oxygen functionalization of vertically aligned carbon nanotubes			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	42	Pages	20412-20418
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Vertically aligned multiwalled carbon nanotubes (v-MWCNTs) are functionalized using atomic oxygen generated in a microwave plasma. X-ray photoelectron spectroscopy depth profile analysis shows that the plasma treatment effectively grafts oxygen exclusively at the v-MWCNT tips. Electron microscopy shows that neither the vertical alignment nor the structure of v-MWCNTs were affected by the plasma treatment. Density functional calculations suggest assignment of XPS C 1s peaks at 286.6 and 287.5 eV, to epoxy and carbonyl functional groups, respectively.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Washington, D.C.	Editor
Language		Wos	000296205600009	Publication Date	2011-10-04
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	31	Open Access
Notes	Iap			Approved	Most recent IF: 4.536; 2011 IF: 4.805
Call Number	UA @ lucian @ c:irua:91890			Serial	174
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Author	Khalilov, U.; Neyts, E.C.; Pourtois, G.; van Duin, A.C.T.
Title	Can we control the thickness of ultrathin silica layers by hyperthermal silicon oxidation at room temperature?			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	50	Pages	24839-24848
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	Using reactive molecular dynamics simulations by means of the ReaxFF potential, we studied the growth mechanism of ultrathin silica (SiO2) layers during hyperthermal oxidation at room temperature. Oxidation of Si(100){2 × 1} surfaces by both atomic and molecular oxygen was investigated in the energy range 15 eV. The oxidation mechanism, which differs from thermal oxidation, is discussed. In the case of oxidation by molecular O2, silica is quickly formed and the thickness of the formed layers remains limited compared to oxidation by atomic oxygen. The Si/SiO2 interfaces are analyzed in terms of partial charges and angle distributions. The obtained structures of the ultrathin SiO2 films are amorphous, including some intrinsic defects. This study is important for the fabrication of silica-based devices in the micro- and nanoelectronics industry, and more specifically for the fabrication of metal oxide semiconductor devices.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Washington, D.C.	Editor
Language		Wos	000297947700050	Publication Date	2011-11-16
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	36	Open Access
Notes				Approved	Most recent IF: 4.536; 2011 IF: 4.805
Call Number	UA @ lucian @ c:irua:94303			Serial	273
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Author	Neyts, E.C.; van Duin, A.C.T.; Bogaerts, A.
Title	Changing chirality during single-walled carbon nanotube growth : a reactive molecular dynamics/Monte Carlo study			Type	A1 Journal article
Year	2011	Publication	Journal of the American Chemical Society	Abbreviated Journal	J Am Chem Soc
Volume	133	Issue	43	Pages	17225-17231
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	The growth mechanism and chirality formation of a single-walled carbon nanotube (SWNT) on a surface-bound nickel nanocluster are investigated by hybrid reactive molecular dynamics/force-biased Monte Carlo simulations. The validity of the interatomic potential used, the so-called ReaxFF potential, for simulating catalytic SWNT growth is demonstrated. The SWNT growth process was found to be in agreement with previous studies and observed to proceed through a number of distinct steps, viz., the dissolution of carbon in the metallic particle, the surface segregation of carbon with the formation of aggregated carbon clusters on the surface, the formation of graphitic islands that grow into SWNT caps, and finally continued growth of the SWNT. Moreover, it is clearly illustrated in the present study that during the growth process, the carbon network is continuously restructured by a metal-mediated process, thereby healing many topological defects. It is also found that a cap can nucleate and disappear again, which was not observed in previous simulations. Encapsulation of the nanoparticle is observed to be prevented by the carbon network migrating as a whole over the cluster surface. Finally, for the first time, the chirality of the growing SWNT cap is observed to change from (11,0) over (9,3) to (7,7). It is demonstrated that this change in chirality is due to the metal-mediated restructuring process.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Washington, D.C.	Editor
Language		Wos	000297380900026	Publication Date	2011-10-06
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0002-7863;1520-5126;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	13.858	Times cited	116	Open Access
Notes				Approved	Most recent IF: 13.858; 2011 IF: 9.907
Call Number	UA @ lucian @ c:irua:92043			Serial	309
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Author	Monico, L.; van der Snickt, G.; Janssens, K.; de Nolf, W.; Miliani, C.; Verbeeck, J.; Tian, H.; Tan, H.; Dik, J.; Radepont, M.; Cotte, M.
Title	Degradation process of lead chromate in paintings by Vincent van Gogh studied by means of synchrotron X-ray spectromicroscopy and related methods : 1 : artificially aged model samples			Type	A1 Journal article
Year	2011	Publication	Analytical chemistry	Abbreviated Journal	Anal Chem
Volume	83	Issue	4	Pages	1214-1223
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract	On several paintings by artists of the end of the 19th century and the beginning of the 20th Century a darkening of the original yellow areas, painted with the chrome yellow pigment (PbCrO4, PbCrO4·xPbSO4, or PbCrO4·xPbO) is observed. The most famous of these are the various Sunflowers paintings Vincent van Gogh made during his career. In the first part of this work, we attempt to elucidate the degradation process of chrome yellow by studying artificially aged model samples. In view of the very thin (1−3 μm) alteration layers that are formed, high lateral resolution spectroscopic methods such as microscopic X-ray absorption near edge (μ-XANES), X-ray fluorescence spectrometry (μ-XRF), and electron energy loss spectrometry (EELS) were employed. Some of these use synchrotron radiation (SR). Additionally, microscopic SR X-ray diffraction (SR μ-XRD), μ-Raman, and mid-FTIR spectroscopy were employed to completely characterize the samples. The formation of Cr(III) compounds at the surface of the chrome yellow paint layers is particularly observed in one aged model sample taken from a historic paint tube (ca. 1914). About two-thirds of the chromium that is present at the surface has reduced from the hexavalent to the trivalent state. The EELS and μ-XANES spectra are consistent with the presence of Cr2O3·2H2O (viridian). Moreover, as demonstrated by μ-XANES, the presence of another Cr(III) compound, such as either Cr2(SO4)3·H2O or (CH3CO2)7Cr3(OH)2 [chromium(III) acetate hydroxide], is likely.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Washington, D.C.	Editor
Language		Wos	000287176900011	Publication Date	2011-02-14
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0003-2700;1520-6882;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	6.32	Times cited	113	Open Access
Notes	Iuap; Fwo			Approved	Most recent IF: 6.32; 2011 IF: 5.856
Call Number	UA @ lucian @ c:irua:88794UA @ admin @ c:irua:88794			Serial	632
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Author	Hamelet, S.; Casas-Cabanas, M.; Dupont, L.; Davoisne, C.; Tarascon, J.M.; Masquelier, C.
Title	Existence of superstructures due to large amounts of Fe vacancies in the LiFePO₄-type framework			Type	A1 Journal article
Year	2011	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
Volume	23	Issue	1	Pages	32-38
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	LiFePO4 has been under intense scrutiny over the past decade because it stands as an attractive positive electrode material for the next generation of Li-ion batteries to power electric vehicles and hybrid electric vehicles, hence the importance of its thermal behavior. The reactivity of LiFePO4 with air at moderate temperatures is shown to be dependent on its particle size. For nanosized materials, a progressive displacement of Fe from the core structure leading to a composite made of nanosize Fe2O3 and highly defective, oxidized LixFeyPO4 compositions, among which the “ideal” formula LiFe2/3PO4. Herein we report, from both temperature-controlled X-ray diffraction and electronic diffraction microscopy, that these off-stoichiometry olivine-type compounds show a defect ordering resulting in the formation of a superstructure. Such a finding shows striking similarities with the temperature-driven oxidation of fayalite Fe2SiO4 (another olivine) to structurally defective laihunite, reported in the literature three decades ago.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Washington, D.C.	Editor
Language		Wos	000285726900007	Publication Date	2010-12-14
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0897-4756;1520-5002;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	9.466	Times cited	30	Open Access
Notes				Approved	Most recent IF: 9.466; 2011 IF: 7.286
Call Number	UA @ lucian @ c:irua:105605			Serial	1130
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Author	Gasparotto, A.; Barreca, D.; Bekermann, D.; Devi, A.; Fischer, R.A.; Fornasiero, P.; Gombac, V.; Lebedev, O.I.; Maccato, C.; Montini, T.; Van Tendeloo, G.; Tondello, E.
Title	F-doped Co₃O₄ photocatalysts for sustainable H₂ generation from water/ethanol			Type	A1 Journal article
Year	2011	Publication	Journal of the American Chemical Society	Abbreviated Journal	J Am Chem Soc
Volume	133	Issue	48	Pages	19362-19365
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	p-Type Co3O4 nanostructured films are synthesized by a plasma-assisted process and tested in the photocatalytic production of H2 from water/ethanol solutions under both near-UV and solar irradiation. It is demonstrated that the introduction of fluorine into p-type Co3O4 results in a remarkable performance improvement with respect to the corresponding undoped oxide, highlighting F-doped Co3O4 films as highly promising systems for hydrogen generation. Notably, the obtained yields were among the best ever reported for similar semiconductor-based photocatalytic processes.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Washington, D.C.	Editor
Language		Wos	000297606500027	Publication Date	2011-11-04
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0002-7863;1520-5126;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	13.858	Times cited	114	Open Access
Notes				Approved	Most recent IF: 13.858; 2011 IF: 9.907
Call Number	UA @ lucian @ c:irua:93628			Serial	1164
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Author	Navulla, A.; Tsirlin, A.A.; Abakumov, A.M.; Shpanchenko, R.V.; Zhang, H.; Dikarev, E.V.
Title	Fluorinated heterometallic \beta-diketonates as volatile single-source precursors for the synthesis of low-valent mixed-metal fluorides			Type	A1 Journal article
Year	2011	Publication	Journal of the American Chemical Society	Abbreviated Journal	J Am Chem Soc
Volume	133	Issue	4	Pages	692-694
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Hexafluoroacetylacetonates that contain lead and divalent first-row transition metals, PbM(hfac)4 (M = Ni (1), Co (2), Mn (3), Fe (4), and Zn (5)), have been synthesized. Their heterometallic structures are held together by strong Lewis acid−base interactions between metal atoms and diketonate ligands acting in chelating−bridging fashion. Compounds 1−5 are highly volatile and decompose below 350 °C. Fluorinated heterometallic β-diketonates have been used for the first time as volatile single-source precursors for the preparation of mixed-metal fluorides. Complex fluorides of composition Pb2MF6 have been obtained by decomposition of 1−5 in a two-zone furnace under low-pressure nitrogen flow. Lead−transition metal fluorides conform to orthorhombically distorted Aurivillius-type structure with layers of corner-sharing [MF6] octahedra separated by α-PbO-type (Pb2F2) blocks. Pb2NiF6 and Pb2CoF6 were found to exhibit magnetic ordering below 80 and 43 K, respectively. The ordering is antiferromagnetic, with a weak, uncompensated moment due to the canting of spins. The Pb2MF6 fluorides represent a new class of prospective magnetoelectric materials combining transition metals and lone-pair main-group cations.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Washington, D.C.	Editor
Language		Wos	000287295300015	Publication Date	2010-12-21
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0002-7863;1520-5126;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	13.858	Times cited	28	Open Access
Notes				Approved	Most recent IF: 13.858; 2011 IF: 9.907
Call Number	UA @ lucian @ c:irua:88820			Serial	1236
Permanent link to this record



Author	Esken, D.; Turner, S.; Wiktor, C.; Kalidindi, S.B.; Van Tendeloo, G.; Fischer, R.A.
Title	GaN@ZIF-8 : selective formation of gallium nitride quantum dots inside a zinc methylimidazolate framework			Type	A1 Journal article
Year	2011	Publication	Journal of the American Chemical Society	Abbreviated Journal	J Am Chem Soc
Volume	133	Issue	41	Pages	16370-16373
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	The microporous zeolitic imidazolate framework [Zn(MeIM)2; ZIF-8; MeIM = imidazolate-2-methyl] was quantitatively loaded with trimethylamine gallane [(CH3)3NGaH3]. The obtained inclusion compound [(CH3)3NGaH3]@ZIF-8 reveals three precursor molecules per host cavity. Treatment with ammonia selectively yields the caged cyclotrigallazane intermediate (H2GaNH2)3@ZIF-8, and further annealing gives GaN@ZIF-8. This new composite material was characterized with FT-IR spectroscopy, solid-state NMR spectroscopy, powder X-ray diffraction, elemental analysis, (scanning) transmission electron microscopy combined with electron energy-loss spectroscopy, photoluminescence (PL) spectroscopy, and N2 sorption measurements. The data give evidence for the presence of GaN nanoparticles (13 nm) embedded in the cavities of ZIF-8, including a blue-shift of the PL emission band caused by the quantum size effect.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Washington, D.C.	Editor
Language		Wos	000295997500014	Publication Date	2011-09-13
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0002-7863;1520-5126;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	13.858	Times cited	82	Open Access
Notes	Hercules			Approved	Most recent IF: 13.858; 2011 IF: 9.907
Call Number	UA @ lucian @ c:irua:93582			Serial	1315
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Author	Neyts, E.C.; Khalilov, U.; Pourtois, G.; van Duin, A.C.T.
Title	Hyperthermal oxygen interacting with silicon surfaces : adsorption, implantation, and damage creation			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	15	Pages	4818-4823
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	Using reactive molecular dynamics simulations, we have investigated the effect of single-impact, low-energy (thermal-100 eV) bombardment of a Si(100){2 × 1} surface by atomic and molecular oxygen. Penetration probability distributions, as well as defect formation distributions, are presented as a function of the impact energy for both species. It is found that at low impact energy, defects are created chemically due to the chemisorption process in the top layers of the surface, while at high impact energy, additional defects are created by a knock-on displacement of Si. These results are of particular importance for understanding device performances of silica-based microelectronic and photovoltaic devices.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Washington, D.C.	Editor
Language		Wos	000288401200060	Publication Date	2011-03-02
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	28	Open Access
Notes				Approved	Most recent IF: 4.536; 2011 IF: 4.805
Call Number	UA @ lucian @ c:irua:89858			Serial	1543
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Author	Vernimmen, J.; Guidotti, M.; Silvestre-Albero, J.; Jardim, E.O.; Mertens, M.; Lebedev, O.I.; Van Tendeloo, G.; Psaro, R.; Rodríguez-Reinoso, F.; Meynen, V.; Cool, P.
Title	Immersion calorimetry as a tool to evaluate the catalytic performance of titanosilicate materials in the epoxidation of cyclohexene			Type	A1 Journal article
Year	2011	Publication	Langmuir: the ACS journal of surfaces and colloids	Abbreviated Journal	Langmuir
Volume	27	Issue	7	Pages	3618-3625
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Abstract	Different types of titanosilicates are synthesized, structurally characterized, and subsequently catalytically tested in the liquid-phase epoxidation of cyclohexene. The performance of three types of combined zeolitic/mesoporous materials is compared with that of widely studied Ti-grafted-MCM-41 molecular sieve and the TS-1 microporous titanosilicate. The catalytic test results are correlated with the structural characteristics of the different catalysts. Moreover, for the first time, immersion calorimetry with the same substrate molecule as in the catalytic test reaction is applied as an extra means to interpret the catalytic results. A good correlation between catalytic performance and immersion calorimetry results is found. This work points out that the combination of catalytic testing and immersion calorimetry can lead to important insights into the influence of the materials structural characteristics on catalysis. Moreover, the potential of using immersion calorimetry as a screening tool for catalysts in epoxidation reactions is shown.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Washington, D.C.	Editor
Language		Wos	000288970900054	Publication Date	2011-02-23
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	19	Open Access
Notes				Approved	Most recent IF: 3.833; 2011 IF: 4.186
Call Number	UA @ lucian @ c:irua:88366			Serial	1557
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Author	He, Z.; Maurice, J.-L.; Gohier, A.; Lee, C.S.; Pribat, D.; Cojocaru, C.S.
Title	Iron catalysts for the growth of carbon nanofibers : Fe, Fe₃C or both?			Type	A1 Journal article
Year	2011	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
Volume	23	Issue	24	Pages	5379-5387
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Iron is a widely used catalyst for the growth of carbon nanotubes (CNTs) or carbon nanofibers (CNFs) by catalytic chemical vapor deposition. However, both Fe and FeC compounds (generally, Fe3C) have been found to catalyze the growth of CNTs/CNFs, and a comparison study of their respective catalytic activities is still missing. Furthermore, the control of the crystal structure of iron-based catalysts, that is α-Fe or Fe3C, is still a challenge, which not only obscures our understanding of the growth mechanisms of CNTs/CNFs, but also complicates subsequent procedures, such as the removal of catalysts for better industrial applications. Here, we show a partial control of the phase of iron catalysts (α-Fe or Fe3C), obtained by varying the growth temperatures during the synthesis of carbon-based nanofibers/nanotubes in a plasma-enhanced chemical vapor deposition reactor. We also show that the structure of CNFs originating from Fe3C is bamboo-type, while that of CNFs originating from Fe is not. Moreover, we directly compare the growth rates of carbon-based nanofibers/nanotubes during the same experiments and find that CNFs/CNTs grown by α-Fe nanoparticles are longer than CNFs grown from Fe3C nanoparticles. The influence of the type of catalyst on the growth of CNFs is analyzed and the corresponding possible growth mechanisms, based on the different phases of the catalysts, are discussed.
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Corporate Author				Thesis
Publisher		Place of Publication	Washington, D.C.	Editor
Language		Wos	000298197300014	Publication Date	2011-11-10
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0897-4756;1520-5002;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	9.466	Times cited	91	Open Access
Notes				Approved	Most recent IF: 9.466; 2011 IF: 7.286
Call Number	UA @ lucian @ c:irua:94297			Serial	1748
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Author	Delabie, A.; Sioncke, S.; Rip, J.; van Elshocht, S.; Caymax, M.; Pourtois, G.; Pierloot, K.
Title	Mechanisms for the trimethylaluminum reaction in aluminum oxide atomic layer deposition on sulfur passivated germanium			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	35	Pages	17523-17532
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	Germanium combined with high-κ dielectrics is investigated for the next generations of CMOS devices. Therefore, we study reaction mechanisms for Al2O3 atomic layer deposition on sulfur passivated Ge using calculations based on density functional theory and total reflection X-ray fluorescence (TXRF). TXRF indicates 6 S/nm2 and 4 Al/nm2 after the first TMA/H2O reaction cycle, and growth inhibition from the second reaction cycle on. Calculations are performed on molecular clusters representing −GeSH surface sites. The calculations confirm that the TMA reaction does not affect the S content. On fully SH-terminated Ge, TMA favorably reacts with up to three −GeSH sites, resulting in a near tetrahedral Al coordination. Electron deficient structures with a GeS site shared between two Al atoms are proposed. The impact of the cluster size on the structures and reaction energetics is systematically investigated.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Washington, D.C.	Editor
Language		Wos	000294386000037	Publication Date	2011-08-01
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	9	Open Access
Notes				Approved	Most recent IF: 4.536; 2011 IF: 4.805
Call Number	UA @ lucian @ c:irua:91714			Serial	1980
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