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	Author	Isaeva, A.A.; Makarevich, O.N.; Kutznetsov, A.N.; Doert, T.; Abakumov, A.M.; Van Tendeloo, G.
	Title	Mixed tellurides Ni_3-xGaTe₂ (0\leq x\leq0.65): crystal and electronic structures, properties, and nickel deficiency effects on vacancy ordering			Type	A1 Journal article
	Year	2010	Publication	European journal of inorganic chemistry	Abbreviated Journal	Eur J Inorg Chem
	Volume		Issue	9	Pages	1395-1404
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The Ni3-xGaTe2 series of compounds (0 x 0.65) was synthesized by a high-temperature ceramic technique at 750 °C. Crystal structures of three compounds in the series were determined by X-ray powder diffraction: Ni2.98(1)GaTe2 (RI = 0.042, Rp = 0.023, Rwp = 0.035), Ni2.79(1)GaTe2 (RI = 0.053, Rp = 0.028, Rwp = 0.039), Ni2.58(1)GaTe2 (RI = 0.081, Rp = 0.037, Rwp = 0.056); the structures were verified by electron diffraction and, for the former compound, high-resolution electron microscopy. The compounds crystallize in a hexagonal lattice with P63/mmc, and the structures can be regarded as a hexagonal close-packed array with a -Ga-Te-Te- stacking sequence. The octahedral and trigonal bipyramidal voids in the hcp structure are selectively filled with Ni atoms to form one entirely occupied and two partially occupied sites, thus allowing variations in the nickel content in the series of compounds Ni3-xGaTe2 (0 x 0.65). A superstructure with asup = 2asub (P63/mmc) has been identified for Ni3-xGaTe2 (0.5 x 0.65) by electron diffraction. Real-space, high-resolution images confirm an ordering of Ni atoms and vacancies inthe ab plane. Quantum-chemical calculations performed forNi3-xGaTe2 (x = 0, 0.25, 0.75, 1) suggest anisotropic metallic conductivity and Pauli paramagnetic behavior that are experimentally confirmed for Ni3GaTe2.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000276370300009	Publication Date	2010-02-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1434-1948;1099-0682;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.444	Times cited	8	Open Access
	Notes				Approved	Most recent IF: 2.444; 2010 IF: 2.910
	Call Number	UA @ lucian @ c:irua:82266			Serial	2090
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	Author	Bogaerts, A.; De Bie, C.; Eckert, M.; Georgieva, V.; Martens, T.; Neyts, E.; Tinck, S.
	Title	Modeling of the plasma chemistry and plasmasurface interactions in reactive plasmas			Type	A1 Journal article
	Year	2010	Publication	Pure and applied chemistry	Abbreviated Journal	Pure Appl Chem
	Volume	82	Issue	6	Pages	1283-1299
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	In this paper, an overview is given of modeling activities going on in our research group, for describing the plasma chemistry and plasmasurface interactions in reactive plasmas. The plasma chemistry is calculated by a fluid approach or by hybrid Monte Carlo (MC)fluid modeling. An example of both is illustrated in the first part of the paper. The example of fluid modeling is given for a dielectric barrier discharge (DBD) in CH4/O2, to describe the partial oxidation of CH4 into value-added chemicals. The example of hybrid MCfluid modeling concerns an inductively coupled plasma (ICP) etch reactor in Ar/Cl2/O2, including also the description of the etch process. The second part of the paper deals with the treatment of plasmasurface interactions on the atomic level, with molecular dynamics (MD) simulations or a combination of MD and MC simulations.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000279063900010	Publication Date	2010-04-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1365-3075;0033-4545;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.626	Times cited	13	Open Access
	Notes				Approved	Most recent IF: 2.626; 2010 IF: 2.134
	Call Number	UA @ lucian @ c:irua:82108			Serial	2134
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	Author	Napierala, C.; Lepoittevin, C.; Edely, M.; Sauques, L.; Giovanelli, F.; Laffez, P.; Van Tendeloo, G.
	Title	Moderate pressure synthesis of rare earth nickelate with metal-insulator transition using polymeric precursors			Type	A1 Journal article
	Year	2010	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	183	Issue	7	Pages	1663-1669
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Rare earth nickelates exhibit a reversible metalsemiconductor phase transition that is, in the infrared range, responsible for a thermo-optical contrast. The state of the art synthesis of these compounds usually requires high oxygen pressure to stabilize Ni in the oxidation state 3+. In this work, using polymeric precursor associated with moderate pressure annealing, we show that it is possible to obtain fully oxidized rare earth nickelate with metalinsulator transition. Using thermogravimetric analysis, X-ray diffraction and transmission electronic microscopy we compare different samples synthesized at different oxygen pressures and demonstrate their structural similarity. Thermo-optical properties were measured, in the infrared range, using reflectance measurements and confirmed the metalinsulator transition at 60 °C in both samples.TEM observations lead to the conclusion that the structure commonly obtained at 175 bar is perfectly observed in the 20 bar sample without major structural defects. The two samples exhibit a thermochromic behavior and thermo-optical properties of the two samples are equivalent.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000279711200028	Publication Date	2010-05-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-4596;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.299	Times cited	3	Open Access
	Notes				Approved	Most recent IF: 2.299; 2010 IF: 2.261
	Call Number	UA @ lucian @ c:irua:83679			Serial	2156
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	Author	Georgieva, V.; Todorov, I.T.; Bogaerts, A.
	Title	Molecular dynamics simulation of oxide thin film growth: importance of the inter-atomic interaction potential			Type	A1 Journal article
	Year	2010	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	485	Issue	4/6	Pages	315-319
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	A molecular dynamics (MD) study of MgxAlyOz thin films grown by magnetron sputtering is presented using an ionic model and comparing two potential sets with formal and partial charges. The applicability of the model and the reliability of the potential sets for the simulation of thin film growth are discussed. The formal charge potential set was found to reproduce the thin film structure in close agreement with the structure of the experimentally grown thin films. Graphical abstract A molecular dynamics study of growth of MgxAlyOz thin films is presented using an ionic model and comparing two potential sets with formal and partial charges. The simulation results with the formal charge potential set showed a transition in the film from a crystalline to an amorphous structure, when the Mg metal content decreases below 50% in very close agreement with the structure of the experimentally deposited films.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000273782600010	Publication Date	2010-01-05
	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	16	Open Access
	Notes				Approved	Most recent IF: 1.815; 2010 IF: 2.282
	Call Number	UA @ lucian @ c:irua:80023			Serial	2170
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	Author	Nikolaev, A.V.; Verberck, B.; Ionova, G.V.
	Title	Molecular interaction energies and optimal configuration of a cubane dimer			Type	A1 Journal article
	Year	2010	Publication	International journal of quantum chemistry	Abbreviated Journal	Int J Quantum Chem
	Volume	110	Issue	5	Pages	1063-1069
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We have studied the dependence of the binding energy of a cubane dimer on the mutual orientation of and the distance between the composing monomers employing the second-order Møller-Plesset perturbation scheme (MP2) with the cc-pVDZ molecular basis set. We have found that the MP2 contribution from the molecular correlations is responsible for the bound state of the cubane dimer, whereas the Hartree-Fock contribution remains anti-bonding at all intermolecular distances. Starting with two molecules in the standard orientation and centers of mass at (0,0,0) and (0,0,d), respectively, the maximal binding energy is found at d = 5.125 Å and one of the monomers rotated by 45° about the z-axis. This configuration implies that the hydrogen atoms belonging to different monomers tend to repel each other. The results are in agreement with experimental data on the optimal packing of cubane molecules in the solid state.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000274720000011	Publication Date	2009-04-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0020-7608;1097-461X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.92	Times cited	1	Open Access
	Notes	; ;			Approved	Most recent IF: 2.92; 2010 IF: 1.302
	Call Number	UA @ lucian @ c:irua:81944			Serial	2179
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	Author	de Clippel, F.; Harkiolakis, A.; Ke, X.; Vosch, T.; Van Tendeloo, G.; Baron, G.V.; Jacobs, P.A.; Denayer, J.F.M.; Sels, B.F.
	Title	Molecular sieve properties of mesoporous silica with intraporous nanocarbon			Type	A1 Journal article
	Year	2010	Publication	Chemical communications	Abbreviated Journal	Chem Commun
	Volume	46	Issue	6	Pages	928-930
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Biporous carbonsilica materials (CSM) with molecular sieve properties and high sorption capacity were developed by synthesizing nano-sized carbon crystallites in the mesopores of Al-MCM-41.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000274070800024	Publication Date	2009-12-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-7345;1364-548X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.319	Times cited	21	Open Access
	Notes	Fwo; Iap			Approved	Most recent IF: 6.319; 2010 IF: 5.787
	Call Number	UA @ lucian @ c:irua:80994			Serial	2182
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	Author	Hadermann, J.; Abakumov, A.M.; Perkisas, T.; d' Hondt, H.; Tan, H.; Verbeeck, J.; Filonenko, V.P.; Antipov, E.V.; Van Tendeloo, G.
	Title	New perovskite-based manganite Pb₂Mn₂O₅			Type	A1 Journal article
	Year	2010	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	183	Issue	183	Pages	2190-2195
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A new perovskite based compound Pb2Mn2O5 has been synthesized using a high pressure high temperature technique. The structure model of Pb2Mn2O5 is proposed based on electron diffraction, high angle annular dark field scanning transmission electron microscopy and high resolution transmission electron microscopy. The compound crystallizes in an orthorhombic unit cell with parameters a=5.736(1)Å≈√2a p p p (a p the parameter of the perovskite subcell) and space group Pnma. The Pb2Mn2O5 structure consists of quasi two-dimensional perovskite blocks separated by 1/2[110] p (1̄01) p crystallographic shear planes. The blocks are connected to each other by chains of edge-sharing MnO5 distorted tetragonal pyramids. The chains of MnO5 pyramids and the MnO6 octahedra of the perovskite blocks delimit six-sided tunnels accommodating double chains of Pb atoms. The tunnels and pyramidal chains adopt two mirror-related configurations (left L and right R) and layers consisting of chains and tunnels of the same configuration alternate in the structure according to an -LRLR-sequence. The sequence is sometimes locally violated by the appearance of -LL- or -RR-fragments. A scheme is proposed with a JahnTeller distortion of the MnO6 octahedra with two long and two short bonds lying in the ac plane, along two perpendicular orientations within this plane, forming a d-type pattern.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000282139600041	Publication Date	2010-07-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-4596;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.299	Times cited	8	Open Access
	Notes	Fwo; Bof; Esteem 026019			Approved	Most recent IF: 2.299; 2010 IF: 2.261
	Call Number	UA @ lucian @ c:irua:85472UA @ admin @ c:irua:85472			Serial	2332
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	Author	Panin, R.V.; Khasanova, N.R.; Bougerol, C.; Schnelle, W.; Van Tendeloo, G.; Antipov, E.V.
	Title	Ordering of Pd²⁺ and Pd⁴⁺ in the mixed-valent palladate KPd₂O₃			Type	A1 Journal article
	Year	2010	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	49	Issue	4	Pages	1295-1297
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A new potassium palladate KPd2O3 was synthesized by the reaction of KO2 and PdO at elevated oxygen pressure. Its crystal structure was solved from powder X-ray diffraction data in the space group Rm (a = 6.0730(1) Å, c = 18.7770(7) Å, and Z = 6). KPd2O3 represents a new structure type, consisting of an alternating sequence of K+ and Pd2O3− layers with ordered Pd2+ and Pd4+ ions. The presence of palladium ions in di- and tetravalent low-spin states was confirmed by magnetic susceptibility measurements.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000274240700009	Publication Date	2010-01-12
	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	9	Open Access
	Notes	Iap Iv			Approved	Most recent IF: 4.857; 2010 IF: 4.326
	Call Number	UA @ lucian @ c:irua:80990			Serial	2507
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	Author	Lorenz, H.; Zhao, Q.; Turner, S.; Lebedev, O.I.; Van Tendeloo, G.; Klötzer, B.; Rameshan, C.; Penner, S.
	Title	Preparation and structural characterization of SnO₂ and GeO₂ methanol steam reforming thin film model catalysts by (HR)TEM			Type	A1 Journal article
	Year	2010	Publication	Materials chemistry and physics	Abbreviated Journal	Mater Chem Phys
	Volume	122	Issue	2/3	Pages	623-629
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Structure, morphology and composition of different tin oxide and germanium oxide thin film catalysts for the methanol steam reforming (MSR) reaction have been studied by a combination of (high-resolution) transmission electron microscopy, selected area electron diffraction, dark-field imaging and electron energy-loss spectroscopy. Deposition of the thin films on NaCl(0 0 1) cleavage faces has been carried out by thermal evaporation of the respective SnO2 and GeO2 powders in varying oxygen partial pressures and at different substrate temperatures. Preparation of tin oxide films in high oxygen pressures (10−1 Pa) exclusively resulted in SnO phases, at and above 473 K substrate temperature epitaxial growth of SnO on NaCl(0 0 1) leads to well-ordered films. For lower oxygen partial pressures (10−3 to 10−2 Pa), mixtures of SnO and β-Sn are obtained. Well-ordered SnO2 films, as verified by electron diffraction patterns and energy-loss spectra, are only obtained after post-oxidation of SnO films at temperatures T ≥ 673 K in 105 Pa O2. Preparation of GeOx films inevitably results in amorphous films with a composition close to GeO2, which cannot be crystallized by annealing treatments in oxygen or hydrogen at temperatures comparable to SnO/SnO2. Similarities and differences to neighbouring oxides relevant for selective MSR in the third group of the periodic system (In2O3 and Ga2O3) are also discussed with the aim of cross-correlation in formation of nanomaterials, and ultimately, also catalytic properties.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lausanne	Editor
	Language		Wos	000278637900054	Publication Date	2010-04-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0254-0584;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.084	Times cited	15	Open Access
	Notes	Esteem 026019			Approved	Most recent IF: 2.084; 2010 IF: 2.356
	Call Number	UA @ lucian @ c:irua:83099			Serial	2699
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	Author	Van de Vyver, S.; Geboers, J.; Dusselier, M.; Schepers, H.; Vosch, T.; Zhang, L.; Van Tendeloo, G.; Jacobs, P.A.; Sels, B.F.
	Title	Selective bifunctional catalytic conversion of cellulose over reshaped ni particles at the tip of carbon nanofibers			Type	A1 Journal article
	Year	2010	Publication	Chemsuschem	Abbreviated Journal	Chemsuschem
	Volume	3	Issue	6	Pages	698-701
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000279753300011	Publication Date	2010-05-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1864-5631;1864-564X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.226	Times cited	136	Open Access
	Notes				Approved	Most recent IF: 7.226; 2010 IF: 6.325
	Call Number	UA @ lucian @ c:irua:95657			Serial	2962
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	Author	Abakumov, A.M.; Hadermann, J.; Batuk, M.; d' Hondt, H.; Tyablikov, O.A.; Rozova, M.G.; Pokholok, K.V.; Filimonov, D.S.; Sheptyakov, D.V.; Tsirlin, A.A.; Niermann, D.; Hemberger, J.; Van Tendeloo, G.; Antipov, E.V.
	Title	Slicing the Perovskite structure with crystallographic shear planes : the A_nB_nO_3n-2 homologous series			Type	A1 Journal article
	Year	2010	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	49	Issue	20	Pages	9508-9516
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A new AnBnO3n−2 homologous series of anion-deficient perovskites has been evidenced by preparation of the members with n = 5 (Pb2.9Ba2.1Fe4TiO13) and n = 6 (Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16) in a single phase form. The crystal structures of these compounds were determined using a combination of transmission electron microscopy and X-ray and neutron powder diffraction (S.G. Ammm, a = 5.74313(7), b = 3.98402(4), c = 26.8378(4) Å, RI = 0.035, RP = 0.042 for Pb2.9Ba2.1Fe4TiO13 and S.G. Imma, a = 5.7199(1), b = 3.97066(7), c = 32.5245(8) Å, RI = 0.032, RP = 0.037 for Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16). The crystal structures of the AnBnO3n−2 homologues are formed by slicing the perovskite structure with (01)p crystallographic shear (CS) planes. The shear planes remove a layer of oxygen atoms and displace the perovskite blocks with respect to each other by the 1/2[110]p vector. The CS planes introduce edge-sharing connections of the transition metal−oxygen polyhedra at the interface between the perovskite blocks. This results in intrinsically frustrated magnetic couplings between the perovskite blocks due to a competition of the exchange interactions between the edge- and the corner-sharing metal−oxygen polyhedra. Despite the magnetic frustration, neutron powder diffraction and Mssbauer spectroscopy reveal that Pb2.9Ba2.1Fe4TiO13 and Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16 are antiferromagnetically ordered below TN = 407 and 343 K, respectively. The Pb2.9Ba2.1Fe4TiO13 and Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16 compounds are in a paraelectric state in the 5−300 K temperature range.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000282783400051	Publication Date	2010-09-24
	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	23	Open Access
	Notes	Esteem 026019; Fwo			Approved	Most recent IF: 4.857; 2010 IF: 4.326
	Call Number	UA @ lucian @ c:irua:84963			Serial	3041
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	Author	El Shinawi, H.; Bertha, A.; Hadermann, J.; Herranz, T.; Santos, B.; Marco, J.F.; Berry, F.J.; Greaves, C.
	Title	Synthesis and characterization of La_1+xSr_2-xCoMnO_7-\delta (x=0,0.2; \delta=0,1)			Type	A1 Journal article
	Year	2010	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	183	Issue	6	Pages	1347-1353
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The n=2 Ruddlesden-Popper phases LaSr(2)CoMnO(7) and La(1 2)Sr(1 8)CoMnO(7) have been synthesized by a sol-gel method The O6-type phases LaSr(2)CoMnO(6) and La(1 2)Sr(1 8)CoMnO(6) were produced by reduction of the 07 phases under a hydrogen atmosphere The materials crystallize in the tetragonal I4/mmm space group with no evidence of long-range cation order in the neutron and electron diffraction data Oxygen vacancies in the reduced materials are located primarily at the common apex of the double perovskite layers giving rise to square pyramidal coordination around cobalt and manganese ions. The oxidation states Co(3+)/Mn(4+) and Co(2+)/Mn(3+) predominate in the as-prepared and reduced materials, respectively The materials are spin glasses at low temperature and the dominant magnetic interactions change from ferro- to antiferromagnetic following reduction (C) 2010 Elsevier Inc All rights reserved
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000278750100021	Publication Date	2010-04-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-4596;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.299	Times cited	5	Open Access
	Notes				Approved	Most recent IF: 2.299; 2010 IF: 2.261
	Call Number	UA @ lucian @ c:irua:99209			Serial	3417
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	Author	Kalyuzhnaya, A.S.; Abakumov, A.M.; Rozova, M.G.; d' Hondt, H.; Hadermann, J.; Antipov, E.V.
	Title	Synthesis and crystal structure of the new complex oxide Ca₇Mn_2.14Ga_5.86O_17.93			Type	A1 Journal article
	Year	2010	Publication	Russian chemical bulletin	Abbreviated Journal	Russ Chem B+
	Volume	59	Issue	4	Pages	706-711
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The complex oxide Ca7Mn2.14Ga5.86O17.93 was synthesized by the solid-state reaction in a sealed evacuated quartz tube at 1000 °C. Its crystal structure was determined by electron diffraction and X-ray powder diffraction. The structure can be represented as a tetrahedral framework, viz., the polyanion [(Mn0.285Ga0.715)15O29.86]19- stabilized by the incorporated cation [Ca14GaO6]19+. The polycation consists of the GaO6 octahedra surrounded by the Ca atoms, which are arranged to form a cube capped at all places. The tetrahedral framework is partially disordered due to the presence of tetrahedra with two possible orientations in the positions (0, 0, 0) and (x, x, x) with x ≈ 0.15 and 0.17. The relationship between the Ca7Mn2.14Ga5.86O17.93 structures and related ordered phases with the symmetry F23, as well as the influence of the oxygen content on the ordering in the tetrahedral framework, are discussed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000283302000006	Publication Date	2010-10-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1066-5285;1573-9171;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	0.529	Times cited	1	Open Access
	Notes				Approved	Most recent IF: 0.529; 2010 IF: 0.629
	Call Number	UA @ lucian @ c:irua:85675			Serial	3427
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	Author	Yang, T.; Abakumov, A.M.; Hadermann, J.; Van Tendeloo, G.; Nowik, I.; Stephens, P.W.; Hamberger, J.; Tsirlin, A.A.; Ramanujachary, K.V.; Lofland, S.; Croft, M.; Ignatov, A.; Sun, J.; Greenblatt, M.
	Title	_BiMnFe₂O₆, a polysynthetically twinned hcp MO structure			Type	A1 Journal article
	Year	2010	Publication	Chemical science	Abbreviated Journal	Chem Sci
	Volume	1	Issue	6	Pages	751-762
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The most efficient use of spatial volume and the lowest potential energies in the metal oxide structures are based on cubic close packing (ccp) or hexagonal close packing (hcp) of anions with cations occupying the interstices. A promising way to tune the composition of close packed oxides and design new compounds is related to fragmenting the parent structure into modules by periodically spaced planar interfaces, such as twin planes at the unit cell scale. The unique crystal chemistry properties of cations with a lone electron pair, such as Bi3+ or Pb2+, when located at interfaces, enables them to act as chemical scissors, to help relieve configurational strain. With this approach, we synthesized a new oxide, BiMnFe2O6, where fragments of the hypothetical hcp oxygen-based MO structure (the NiAs structure type), for the first time, serve as the building modules in a complex transition metal oxide. Mn3+ and Fe3+ ions are randomly distributed in two crystallographically independent sites (M1 and M2). The structure consists of quasi two-dimensional blocks of the 2H hexagonal close packed MO structure cut along the (114) crystal plane of the hcp lattice and stacked along the c axis. The blocks are related by a mirror operation that allows BiMnFe2O6 to be considered as a polysynthetically twinned 2H hcp MO structure. The transition to an AFM state with an incommensurate spin configuration at [similar] 212 K is established by 57Fe Mössbauer spectroscopy, magnetic susceptibility, specific heat and low temperature powder neutron diffraction.
	Address
	Corporate Author				Thesis
	Publisher	Royal Society of Chemistry	Place of Publication	Cambridge	Editor
	Language		Wos	000283939200013	Publication Date	2010-10-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2041-6520;2041-6539;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.668	Times cited	12	Open Access
	Notes				Approved	Most recent IF: 8.668; 2010 IF: NA
	Call Number	UA @ lucian @ c:irua:85823			Serial	3517
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	Author	Morozov, V.A.; Arakcheeva, A.V.; Konovalova, V.V.; Pattison, P.; Chapuis, G.; Lebedev, O.I.; Fomichev, V.V.; Van Tendeloo, G.
	Title	LiZnNb₄O_11.5 : a novel oxygen deficient compound in the Nb-rich part of the Li₂O-ZnO-Nb₂O₅ system			Type	A1 Journal article
	Year	2010	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	183	Issue	2	Pages	408-418
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A novel lithium zinc niobium oxide LiZnNb(4)O(11.5) (LZNO) has been found in the Nb-rich part of Li(2)O-ZnO-Nb(2)O(5) system. LZNO, with an original alpha-PbO(2) related structure, has been synthesized by the routine ceramic technique and characterized by X-ray diffraction and transmission electron microscopy (TEM). Reflections belonging to the LZNO phase, observed in X-ray powder diffraction (XRPD) and electron diffraction, have been indexed as monoclinic with unit cell parameters a=17.8358(9)angstrom, b=15.2924(7)angstrom, c=5.0363(3)angstrom and gamma=96.607(5)degrees or as alpha-PbO(2)-like with lattice constants a=4.72420(3)angstrom, b=5.72780(3)angstrom, c=5.03320(3)angstrom, gamma=90.048(16)degrees and modulation vector q=0.3a+1.1b indicating a commensurately modulated alpha-PbO(2) related structure. The monoclinic cell is a supercell related to the latter. Using synchrotron powder diffraction data, the structure has been solved and refined as a commensurate modulation (superspace group P112(1)/n(alpha beta 0)00) as well as a supercell (space group P2(1)/b). The superspace description allows us to consider the LZNO structure as a member of the proposed alpha-PbO(2)-Z (3 + 1)D structure type, which unifies both incommensurately and commensurately modulated structures. HRTEM reveals several types of defects in LZNO and structural models for these defects are proposed. Two new phases in Li(2)O-ZnO-Nb(2)O(5) system are predicted on the basis of this detailed HRTEM analysis. (C) 2009 Elsevier Inc. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000274497600020	Publication Date	2009-12-17
	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	9	Open Access
	Notes	Iap-Vi			Approved	Most recent IF: 2.299; 2010 IF: 2.261
	Call Number	UA @ lucian @ c:irua:95646			Serial	3542
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	Author	Kovba, M.L.; Skolis, Y.Y.; Abakumov, A.M.; Hadermann, J.; Sukhushina, I.S.
	Title	The synthesis and thermodynamic properties of strontium fluoromanganite Sr_2.5Mn₆O_12.5-\deltaF₂			Type	A1 Journal article
	Year	2010	Publication	Russian journal of physical chemistry A	Abbreviated Journal	Russ J Phys Chem A+
	Volume	84	Issue	12	Pages	2033-2038
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The existence of the [SrF(0.8)O(0.1)](2.5)[Mn(6)O(12)] = Sr(2.5)Mn(6)O(12.5 – delta)F(2) compound was established in the SrO-Mn(2)O(3)-SrF(2) system at 900A degrees C and p(O(2)) = 1 atm. The crystal structure of strontium fluoromanganite was determined from the X-ray powder diffraction data, electron diffraction, and high-resolution electron microscopy. It can be described in the monoclynic system with four Miller hklm indices: hklm: H = h a* + k b* + l c (1) () + m q (1), q (1), q (1) = c (2) () = gamma c (1) (*) , gamma a parts per thousand 0.632, a a parts per thousand a a parts per thousand 9.72 , b a parts per thousand 9.55 , c (1) a parts per thousand 2.84 , c (2) a parts per thousand 4.49 , monoclinic angle gamma a parts per thousand 95.6A degrees. The electromotive force method with a solid fluorine ion electrolyte was used to refine the composition of fluoromanganite and determine the thermodynamic functions of its formation from phases neighboring in the phase diagram (SrMn(3)O(6), Mn(2)O(3), SrF(2), and oxygen), Delta GA degrees, kJ/mol = -(111.7 +/- 1.9) + (89.5 +/- 1.5) x 10(-3) T.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000284775000004	Publication Date	2011-02-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0036-0244;1531-863X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	0.581	Times cited	1	Open Access
	Notes				Approved	Most recent IF: 0.581; 2010 IF: 0.503
	Call Number	UA @ lucian @ c:irua:99190			Serial	3601
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	Author	Efimov, K.; Xu, Q.; Feldhoff, A.
	Title	Transmission electron microscopy study of BA_0.5Sr_0.5CO_0.8Fe_0.2O_3-\delta Perovskite decomposition at intermediate temperatures			Type	A1 Journal article
	Year	2010	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	22	Issue	21	Pages	5866-5875
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The cubic perovskite Ba(0.5)Sr(0.5)Co(0.8)Fe(0.2)O(3-delta) (denoted BSCF) is the state-of-the-art ceramic membrane material used for oxygen separation technologies above 1150 K. BSCF is a mixed oxygen-ion and electron conductor (MIEC) and exhibits one of the highest oxygen permeabilities reported so far for dense oxides. Additionally, it has excellent phase stability above 1150 K. In the intermediate temperature range (750-1100 K), however, BSCF suffers from a slow decomposition of the cubic perovskite into variants with hexagonal stacking that are barriers to oxygen transport. To elucidate details of the decomposition process, both sintered BSCF ceramic and powder were annealed for 180-240 h in ambient air at temperatures below 1123 K and analyzed by different transmission electron microscopy techniques. Aside from hexagonal perovskite Ba(0.5)Sr(0.5)CoO(3-delta) , the formation of lamellar noncubic phases was observed in the quenched samples. The structure of the lamellae with the previously unknown composition Ba(1-x)Sr(x)Co(2-y)Fe(y)O(5-delta) was found to be related to the 15R hexagonal perovskite polytype. The valence and spin-state transition of cobalt leading to a considerable diminution of its ionic radius can be considered a reason for BSCF's inherent phase instability at intermediate temperatures.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000283623700010	Publication Date	2010-10-13
	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	117	Open Access
	Notes	Esteem 026019			Approved	Most recent IF: 9.466; 2010 IF: 6.400
	Call Number	UA @ lucian @ c:irua:95546			Serial	3720
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	Author	Nourbakhsh, A.; Cantoro, M.; Klekachev, A.; Clemente, F.; Sorée, B.; van der Veen, M.H.; Vosch, T.; Stesmans, A.; Sels, B.; de Gendt, S.
	Title	Tuning the Fermi level of SiO₂-supported single-layer graphene by thermal annealing			Type	A1 Journal article
	Year	2010	Publication	Journal Of Physical Chemistry C	Abbreviated Journal	J Phys Chem C
	Volume	114	Issue	5	Pages	6894-6900
	Keywords	A1 Journal article; Electron Microscopy for Materials Science (EMAT);
	Abstract	The effects of thermal annealing in inert Ar gas atmosphere of SiO2-supported, exfoliated single-layer graphene are investigated in this work. A systematic, reproducible change in the electronic properties of graphene is observed after annealing. The most prominent Raman features in graphene, the G and 2D peaks, change in accord to what is expected in the case of hole doping. The results of electrical characterization performed on annealed, back-gated field-effect graphene devices show that the neutrality point voltage VNP increases monotonically with the annealing temperature, confirming the occurrence of excess hole accumulation. No degradation of the structural properties of graphene is observed after annealing at temperatures as high as 400 °C. Thermal annealing of single-layer graphene in controlled Ar atmosphere can therefore be considered a technique to reproducibly modify the electronic structure of graphene by tuning its Fermi level.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000276562500002	Publication Date	2010-03-26
	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	54	Open Access
	Notes				Approved	Most recent IF: 4.536; 2010 IF: 4.524
	Call Number	UA @ lucian @ c:irua:89508			Serial	3757
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	Author	Bekermann, D.; Gasparotto, A.; Barreca, D.; Devi, A.; Fischer, R.A.; Kete, M.; Štangar, U.L.; Lebedev, O.I.; Maccato, C.; Tondello, E.; Van Tendeloo, G.
	Title	ZnO nanorod arrays by plasma-enhanced CVD for light-activated functional applications			Type	A1 Journal article
	Year	2010	Publication	ChemPhysChem : a European journal of chemical physics and physical chemistry	Abbreviated Journal	Chemphyschem
	Volume	11	Issue	11	Pages	2337-2340
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Switch of the surface properties: Supported ZnO nanorod arrays with tailored roughness and aspect ratios are successfully synthesized by plasma-enhanced chemical vapor deposition. Such nanostructures exhibit significant superhydrophilic and photocatalytic properties tunable as a function of their morphological organization (see picture). This renders them promising building blocks for the fabrication of stimuli-responsive materials.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000281061500008	Publication Date	2010-06-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1439-4235;1439-7641;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.075	Times cited	38	Open Access
	Notes	Esteem 026019			Approved	Most recent IF: 3.075; 2010 IF: 3.340
	Call Number	UA @ lucian @ c:irua:84594			Serial	3935
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	Author	Janssens, K.; Dik, J.; Cotte, M.; Susini, J.
	Title	Photon-based techniques for nondestructive subsurface analysis of painted cultural heritage artifacts			Type	A1 Journal article
	Year	2010	Publication	Accounts of chemical research	Abbreviated Journal	Accounts Chem Res
	Volume	43	Issue	6	Pages	814-825
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Often, just micrometers below a paintings surface lies a wealth of information, both with Old Masters such as Peter Paul Rubens and Rembrandt van Rijn and with more recent artists of great renown such as Vincent Van Gogh and James Ensor. Subsurface layers may include underdrawing, underpainting, and alterations, and in a growing number of cases conservators have discovered abandoned compositions on paintings, illustrating artists practice of reusing a canvas or panel. The standard methods for studying the inner structure of cultural heritage (CH) artifacts are infrared reflectography and X-ray radiography, techniques that are optionally complemented with the microscopic analysis of cross-sectioned samples. These methods have limitations, but recently, a number of fundamentally new approaches for fully imaging the buildup of hidden paint layers and other complex three-dimensional (3D) substructures have been put into practice. In this Account, we discuss these developments and their recent practical application with CH artifacts. We begin with a tabular summary of 14 IR- and X-ray-based imaging methods and then continue with a discussion of each technique, illustrating CH applications with specific case studies. X-ray-based tomographic and laminographic techniques can be used to generate 3D renditions of artifacts of varying dimensions. These methods are proving invaluable for exploring inner structures, identifying the conservation state, and postulating the original manufacturing technology of metallic and other sculptures. In the analysis of paint layers, terahertz time-domain spectroscopy (THz-TDS) can highlight interfaces between layers in a stratigraphic buildup, whereas macrosopic scanning X-ray fluorescence (MA-XRF) has been employed to measure the distribution of pigments within these layers. This combination of innovative methods provides topographic and color information about the micrometer depth scale, allowing us to look into paintings in an entirely new manner. Over the past five years, several new variants of traditional IR- and X-ray-based imaging methods have been implemented by conservators and museums, and the first reports have begun to emerge in the primary research literature. Applying these state-of-the-art techniques in a complementary fashion affords a more comprehensive view of paintings and other artworks.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000278842500013	Publication Date	2010-05-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0001-4842	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	20.268	Times cited	78	Open Access
	Notes	; This research was supported by the Interuniversity Attraction Poles Programme-Belgian Science Policy (IUAP VI/16). The text also presents results of FWO (Brussels, Belgium) projects nr. G.0704.08 and G.0179.09 and from the UA-BOF GOA programme. ;			Approved	Most recent IF: 20.268; 2010 IF: 21.852
	Call Number	UA @ admin @ c:irua:83983			Serial	5772
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	Author	Janssens, K.; de Nolf, W.; van der Snickt, G.; Vincze, L.; Vekemans, B.; Terzano, R.; Brenker, F.E.
	Title	Recent trends in quantitative aspects of microscopic X-ray fluorescence analysis			Type	A1 Journal article
	Year	2010	Publication	Trends in analytical chemistry	Abbreviated Journal	Trac-Trend Anal Chem
	Volume	29	Issue	6	Pages	464-478
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000279235000014	Publication Date	2010-03-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0165-9936	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.442	Times cited	48	Open Access
	Notes	; This research was supported by the Interuniversity Attraction Poles Programme-Belgian Science Policy (IUAP VI/16). The text also presents results of FWO (Brussels, Belgium) projects nr. G.0704.08 and G.0179.09 and from the UA-BOF GOA programme. ;			Approved	Most recent IF: 8.442; 2010 IF: 6.602
	Call Number	UA @ admin @ c:irua:83903			Serial	5806
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	Author	Cotte, M.; Susini, J.; Dik, J.; Janssens, K.
	Title	Synchrotron-based X-ray absorption spectroscopy for art conservation: looking back and looking forward			Type	A1 Journal article
	Year	2010	Publication	Accounts of chemical research	Abbreviated Journal	Accounts Chem Res
	Volume	43	Issue	6	Pages	705-714
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	A variety of analytical techniques augmented by the use of synchrotron radiation (SR), such as X-ray fluorescence (SR-XRF) and X-ray diffraction (SR-XRD), are now readily available, and they differ little, conceptually, from their common laboratory counterparts. Because of numerous advantages afforded by SR-based techniques over benchtop versions, however, SR methods have become popular with archaeologists, art historians, curators, and other researchers in the field of cultural heritage (CH). Although the CH community now commonly uses both SR-XRF and SR-XRD, the use of synchrotron-based X-ray absorption spectroscopy (SR-XAS) techniques remains marginal, mostly because CH specialists rarely interact with SR physicists. In this Account, we examine the basic principles and capabilities of XAS techniques in art preservation. XAS techniques offer a combination of features particularly well-suited for the chemical analysis of works of art. The methods are noninvasive, have low detection limits, afford high lateral resolution, and provide exceptional chemical sensitivity. These characteristics are highly desirable for the chemical characterization of precious, heterogeneous, and complex materials. In particular, the chemical mapping capability, with high spatial resolution that provides information about local composition and chemical states, even for trace elements, is a unique asset. The chemistry involved in both the objects history (that is, during fabrication) and future (that is, during preservation and restoration treatments) can be addressed by XAS. On the one hand, many studies seek to explain optical effects occurring in historical glasses or ceramics by probing the molecular environment of relevant chromophores. Hence, XAS can provide insight into craft skills that were mastered years, decades, or centuries ago but were lost over the course of time. On the other hand, XAS can also be used to characterize unwanted reactions, which are then considered alteration phenomena and can dramatically alter the objects original visual properties. In such cases, the bulk elemental composition is usually unchanged. Hence, monitoring oxidation state (or, more generally, other chemical modifications) can be of great importance. Recent applications of XAS in art conservation are reviewed and new trends are discussed, highlighting the value (and future possibilities) of XAS, which remains, given its potential, underutilized in the CH community.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000278842500003	Publication Date	2010-01-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0001-4842	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	20.268	Times cited	74	Open Access
	Notes	; ;			Approved	Most recent IF: 20.268; 2010 IF: 21.852
	Call Number	UA @ admin @ c:irua:83982			Serial	5861
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	Author	van Meel, K.; Horemans, B.; Krata, A.; Bencs, L.; Buczyńska, A.J.; Dirtu, A.C.; Worobiec, A.; Van Grieken, R.
	Title	Elemental concentrations in aerosols at the Belgian coast versus seasons and air mass trajectories			Type	A1 Journal article
	Year	2010	Publication	Environmental chemistry letters	Abbreviated Journal
	Volume	8	Issue	2	Pages	157-163
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP); Toxicological Centre
	Abstract	Marine aerosols have extensively been monitored in the framework of a research project to investigate the inorganic and organic nutrient fluxes of the atmospheric nitrogen input into the North Sea. As a part of this project bulk analysis was also performed by energy dispersive X-ray fluorescence (EDXRF) on a total of 366 samples in order to provide detailed elemental composition. Samples have been clustered per campaign and differences were related to backward trajectories. Elements as Cl, Si, and S appeared to be the best tracers for coastal aerosols. Therefore they have been chosen to represent each campaign and to map the seasonal variations. It is clear that Cl is an excellent tracer for oceanic trajectories, while a less clear correlation between the soil dust components and the air mass trajectories is found.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000277786900007	Publication Date	2009-02-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1610-3653	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:82494			Serial	7893
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	Author	Worobiec, A.; Potgieter-Vermaak, S.; Brooker, A.; Darchuk, L.; Stefaniak, E.; Van Grieken, R.
	Title	Interfaced SEM/EDX and micro-Raman spectrometry for characterisation of heterogeneous environmental particles: fundamental and practical challenges			Type	A1 Journal article
	Year	2010	Publication	Microchemical journal	Abbreviated Journal
	Volume	94	Issue	1	Pages	65-72
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
	Abstract	The molecular character of atmospheric particulate matter is of prime importance when interpreting air pollution trends and its subsequent influence on environmental monitoring and preventative conservation. The known methods of estimating the molecular composition normally involve elemental analysis of particles (both as bulk and computer controlled analyses of single particles) with subsequent multivariate analyses to clusterise the elements in groups of elements that are closely related to each other. With this approach one can at best suggest associations. Evidently the application of molecular spectroscopy in addition to elemental concentration profiles would provide intimate information regarding the nature of the particles and consequently their fate. This paper gives an overview of research performed in our laboratory and describes the optimisation of experimental parameters to use scanning electron microscopy with energy-dispersive X-ray detection (SEM/EDX) or electron probe X-ray microanalysis (EPXMA) in parallel with micro-Raman Spectrometry (MRS) to investigate single environmental particles. The challenges associated with the two stand-alone techniques are revealed and consequently those posed with an interfaced approach are discussed. Preliminary results, of an initial investigation of the SEM/EDX interfaced with MRS to ultra-fine heterogeneous environmental particles, are given.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000273238800011	Publication Date	2009-09-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0026-265x; 0026-265x	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:79801			Serial	8114
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	Author	Swaenen, M.; Stefaniak, E.A.; Frost, R.; Worobiec, A.; Van Grieken, R.
	Title	Investigation of inclusions trapped inside Libyan desert glass by Raman microscopy			Type	A1 Journal article
	Year	2010	Publication	Analytical and bioanalytical chemistry	Abbreviated Journal
	Volume	397	Issue	7	Pages	2659-2665
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
	Abstract	Several specimens of Libyan desert glass (LDG), an enigmatic natural glass from Egypt, were subjected to investigation by micro-Raman spectroscopy. The spectra of inclusions inside the LDG samples were successfully measured through the layers of glass and the mineral species were identified on this basis. The presence of cristobalite as typical for high-temperature melt products was confirmed, together with co-existing quartz. TiO2 was determined in two polymorphic species rutile and anatase. Micro-Raman spectroscopy proved also the presence of minerals unusual for high-temperature glasses such as anhydrite and aragonite.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000280122100004	Publication Date	2010-01-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1618-2642; 1618-2650	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:83276			Serial	8125
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	Author	Jain, R.; Yadav, R.K.; Rather, J.A.
	Title	Voltammetric assay of anti-vertigo drug betahistine hydrochloride in sodium lauryl sulphate			Type	A1 Journal article
	Year	2010	Publication	Colloids and surfaces: A: physicochemical and engineering aspects	Abbreviated Journal
	Volume	366	Issue		Pages	63-67
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Assay and electrochemical behaviour of betahistine hydrochloride in BrittonRobinsons (BR) buffer of pH range 2.512.0 at a glassy carbon electrode have been investigated. Addition of anionic surfactant (sodium lauryl sulphate) to the betahistine hydrochloride solution containing electrolyte enhanced the reduction current signal while neutral surfactant (Tween-20) and cationic surfactant cetyl trimethylammonium bromide (CTAB) showed an opposite effect. Voltammograms of betahistine hydrochloride exhibited a single wave. Based on reduction behaviour of betahistine hydrochloride, a direct square-wave voltammetric method has been developed for the assay of betahistine hydrochloride in pharmaceutical formulation. The proposed method has been validated as per ICH guideline. System and method precision in terms of RSD were 1.88% and 1.60% respectively, whereas the method accuracy was indicated by the recovery of 97.6101.9%. Reduction peak current was linear over the target concentration with correlation coefficient 0.998. The proposed method was successfully applied to the determination of betahistine hydrochloride in pharmaceutical formulation. The results were compared with those obtained by the reference high performance liquid chromatographic method. No significant differences were found between results of proposed and reference methods.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000280501800010	Publication Date	2010-05-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0927-7757	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:98689			Serial	8741
Permanent link to this record



	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	Van Aert, S.
	Title	Atomen in 3D : Antwerpenaren brengen atomaire structuur nanodeeltjes in beeld			Type	Newspaper/Magazine/blog article
	Year	2011	Publication	Chemie magazine	Abbreviated Journal
	Volume	7	Issue	3	Pages	9
	Keywords	Newspaper/Magazine/blog article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0379-7651	ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:94122			Serial	163
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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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