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	Author	Kirsanova, M.A.; Mori, T.; Maruyama, S.; Matveeva; Batuk, D.; Abakumov, A.M.; Gerasimenko, A.V.; Olenev, A.V.; Grin, Y.; Shevelkov, A.V.
	Title	Synthesis, structure, and transport properties of type-I derived clathrate Ge_46-xP_xSe_8-y (x=15.4(1); y=0-2.65) with diverse host-guest bonding			Type	A1 Journal article
	Year	2013	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	52	Issue	2	Pages	577-588
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A first clathrate compound with selenium guest atoms, [Ge46-xPx]Se8-y square(y) (x = 15.4(1); y = 0-2.65; square denotes a vacancy), was synthesized as a single-phase and structurally characterized. It crystallizes in the space group Fm (3) over bar with the unit cell parameter a varying from 20.310(2) to 20.406(2) angstrom and corresponding to a 2 x 2 x 2 supercell of a usual clathrate-I structure. The superstructure is formed due to the symmetrical arrangement of the three-bonded framework atoms appearing as a result of the framework transformation of the parent clathrate-I structure. Selenium guest atoms occupy two types of polyhedral cages inside the positively charged framework; all selenium atoms in the larger cages form a single covalent bond with the framework atoms, relating the title compounds to a scanty family of semiclathrates. According to the measurements of electrical resistivity and Seebeck coefficient, [Ge46-xPx]Se8-y square(y) is an n-type semiconductor with E-g = 0.41 eV for x = 15.4(1) and y = 0; it demonstrates the maximal thermoelectric power factor of 2.3 x 10(-5) W K-2 m(-1) at 660 K.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000314007500010	Publication Date	2012-12-31
	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	14	Open Access
	Notes				Approved	Most recent IF: 4.857; 2013 IF: 4.794
	Call Number	UA @ lucian @ c:irua:107689			Serial	3463
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	Author	Ovsyannikov, S.V.; Abakumov, A.M.; Tsirlin, A.A.; Schnelle, W.; Egoavil, R.; Verbeeck, J.; Van Tendeloo, G.; Glazyrin, K.V.; Hanfland, M.; Dubrovinsky, L.
	Title	Perovskite-like Mn₂O₃ : a path to new manganites			Type	A1 Journal article
	Year	2013	Publication	Angewandte Chemie	Abbreviated Journal	Angew Chem Int Edit
	Volume	52	Issue	5	Pages	1494-1498
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Korund-artiges ε-Mn2O3 und Perowskit-artiges ζ-Mn2O3, zwei neue Phasen von Mn2O3, wurden unter hohen Drücken bei hohen Temperaturen synthetisiert. Die Manganatome können vollständig die A- und B-Positionen der Perowskitstruktur besetzen. ζ-Mn2O3 (siehe Bild, A-Positionsordnung) enthält Mn in den drei Oxidationsstufen +II, +III und +IV.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000313913300027	Publication Date	2012-12-22
	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	84	Open Access
	Notes	This work was supported by the DFG (project OV-110/1-1), Alexander von Humboldt foundation, European Union Council (FP7)-Grant no. 246102 IFOX, European Research Council (FP7)-ERC Starting Grant no. 278510 VORTEX and ERC Grant no. 246791-COUNTATOMS, and Hercules fund from the Flemish Government. ECASJO_;			Approved	Most recent IF: 11.994; 2013 IF: 11.336
	Call Number	UA @ lucian @ c:irua:108765UA @ admin @ c:irua:108765			Serial	2573
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	Author	Schryvers, D.; Van Aert, S.; Delville, R.; Idrissi, H.; Turner, S.; Salje, E.K.H.
	Title	Dedicated TEM on domain boundaries from phase transformations and crystal growth			Type	A1 Journal article
	Year	2013	Publication	Phase transitions	Abbreviated Journal	Phase Transit
	Volume	86	Issue	1	Pages	15-22
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Investigating domain boundaries and their effects on the behaviour of materials automatically implies the need for detailed knowledge on the structural aspects of the atomic configurations at these interfaces. Not only in view of nearest neighbour interactions but also at a larger scale, often surpassing the unit cell, the boundaries can contain structural elements that do not exist in the bulk. In the present contribution, a number of special boundaries resulting from phase transformations or crystal growth and those recently investigated by advanced transmission electron microscopy techniques in different systems will be reviewed. These include macrotwins between microtwinned martensite plates in NiAl, austenite-single variant martensite habit planes in low hysteresis NiTiPd, nanotwins in non-textured nanostructured Pd and ferroelastic domain boundaries in CaTiO3. In all discussed cases these boundaries play an essential role in the properties of the respective materials.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York	Editor
	Language		Wos	000312586700003	Publication Date	2012-12-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0141-1594;1029-0338;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.06	Times cited		Open Access
	Notes	Fwo; Iap			Approved	Most recent IF: 1.06; 2013 IF: 1.044
	Call Number	UA @ lucian @ c:irua:101222			Serial	612
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	Author	Cooper, D.; Denneulin, T.; Barnes, J.-P.; Hartmann, J.-M.; Hutin, L.; Le Royer, C.; Béché, A.; Rouvière, J.-L.
	Title	Strain mapping with nm-scale resolution for the silicon-on-insulator generation of semiconductor devices by advanced electron microscopy			Type	A1 Journal article
	Year	2012	Publication	Applied Physics Letters	Abbreviated Journal	Appl Phys Lett
	Volume	112	Issue		Pages	124505
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Strain engineering in the conduction channel is a cost effective method of boosting the performance in state-of-the-art semiconductor devices. However, given the small dimensions of these devices, it is difficult to quantitatively measure the strain with the required spatial resolution. Three different transmission electron microscopy techniques, high-angle annular dark field scanning transmission electron microscopy, dark field electron holography, and nanobeam electron diffraction have been applied to measure the strain in simple bulk and SOI calibration specimens. These techniques are then applied to different gate length SiGe SOI pFET devices in order to measure the strain in the conduction channel. For these devices, improved spatial resolution is required, and strain maps with spatial resolutions as good as 1 nm have been achieved. Finally, we discuss the relative advantages and disadvantages of using these three different techniques when used for strain measurement.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000312829400128	Publication Date	2012-12-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951; 1077-3118	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	14	Open Access
	Notes				Approved	Most recent IF: 3.411; 2012 IF: 3.794
	Call Number	UA @ lucian @ c:irua:136433			Serial	4510
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	Author	Quintana, M.; López, A.M.; Rapino, S.; Toma, F.M.; Iurlo, M.; Carraro, M.; Sartorel, A.; Maccato, C.; Ke, X.; Bittencourt, C.; Da Ros, T.; Van Tendeloo, G.; Marcaccio, M.; Paolucci, F.; Prato, M.; Bonchio, M.;
	Title	Knitting the catalytic pattern of artificial photosynthesis to a hybrid graphene nanotexture			Type	A1 Journal article
	Year	2013	Publication	ACS nano	Abbreviated Journal	Acs Nano
	Volume	7	Issue	1	Pages	811-817
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The artificial leaf project calls for new materials enabling multielectron catalysis with minimal overpotential, high turnover frequency, and long-term stability. Is graphene a better material than carbon nanotubes to enhance water oxidation catalysis for energy applications? Here we show that functionalized graphene with a tailored distribution of polycationic, quaternized, ammonium pendants provides an sp(2) carbon nanoplatform to anchor a totally inorganic tetraruthenate catalyst, mimicking the oxygen evolving center of natural PSII. The resulting hybrid material displays oxygen evolution at overpotential as low as 300 mV at neutral pH with negligible loss of performance after 4 h testing. This multilayer electroactive asset enhances the turnover frequency by 1 order of magnitude with respect to the isolated catalyst, and provides a definite up-grade of the carbon nanotube material, with a similar surface functionalization. Our innovation is based on a noninvasive, synthetic protocol for graphene functionalization that goes beyond the ill-defined oxidation-reduction methods, allowing a definite control of the surface properties.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000314082800088	Publication Date	2012-12-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1936-0851;1936-086X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	13.942	Times cited	69	Open Access
	Notes	246791 COUNTATOMS; 262348 ESMI; ESF Cost Action NanoTP MP0901			Approved	Most recent IF: 13.942; 2013 IF: 12.033
	Call Number	UA @ lucian @ c:irua:107707			Serial	1766
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	Author	Dixit, H.; Lamoen, D.; Partoens, B.
	Title	Quasiparticle band structure of rocksalt-CdO determined using maximally localized Wannier functions			Type	A1 Journal article
	Year	2013	Publication	Journal of physics : condensed matter	Abbreviated Journal	J Phys-Condens Mat
	Volume	25	Issue	3	Pages	035501-35505
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	CdO in the rocksalt structure is an indirect band gap semiconductor. Thus, in order to determine its band gap one needs to calculate the complete band structure. However, in practice, the exact evaluation of the quasiparticle band structure for the large number of k-points which constitute the different symmetry lines in the Brillouin zone can be an extremely demanding task compared to the standard density functional theory (DFT) calculation. In this paper we report the full quasiparticle band structure of CdO using a plane-wave pseudopotential approach. In order to reduce the computational effort and time, we make use of maximally localized Wannier functions (MLWFs). The MLWFs offer a highly accurate method for interpolation of the DFT or GW band structure from a coarse k-point mesh in the irreducible Brillouin zone, resulting in a much reduced computational effort. The present paper discusses the technical details of the scheme along with the results obtained for the quasiparticle band gap and the electron effective mass.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000313100500010	Publication Date	2012-12-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-8984;1361-648X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.649	Times cited	7	Open Access
	Notes	Fwo			Approved	Most recent IF: 2.649; 2013 IF: 2.223
	Call Number	UA @ lucian @ c:irua:105296			Serial	2801
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	Author	Turner, S.; Egoavil, R.; Batuk, M.; Abakumov, A.A.; Hadermann, J.; Verbeeck, J.; Van Tendeloo, G.
	Title	Site-specific mapping of transition metal oxygen coordination in complex oxides			Type	A1 Journal article
	Year	2012	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	101	Issue	24	Pages	241910
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We demonstrate site-specific mapping of the oxygen coordination number for transition metals in complex oxides using atomically resolved electron energy-loss spectroscopy in an aberration-corrected scanning transmission electron microscope. Pb2Sr2Bi2Fe6O16 contains iron with a constant Fe3+ valency in both octahedral and tetragonal pyramidal coordination and is selected to demonstrate the principle of site-specific coordination mapping. Analysis of the site-specific Fe-L2,3 data reveals distinct variations in the fine structure that are attributed to Fe in a six-fold (octahedron) or five-fold (distorted tetragonal pyramid) oxygen coordination. Using these variations, atomic resolution coordination maps are generated that are in excellent agreement with simulations.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000312490000035	Publication Date	2012-12-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	12	Open Access
	Notes	Fwo; Countatoms; Vortex; Esteem 312483; esteem2jra3 ECASJO;			Approved	Most recent IF: 3.411; 2012 IF: 3.794
	Call Number	UA @ lucian @ c:irua:105302UA @ admin @ c:irua:105302			Serial	3030
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	Author	Maccato, C.; Simon, Q.; Carraro, G.; Barreca, D.; Gasparotto, A.; Lebedev, O.I.; Turner, S.; Van Tendeloo, G.
	Title	Zinc and copper oxides functionalized with metal nanoparticles : an insight into their nano-organization			Type	A1 Journal article
	Year	2012	Publication	Journal of advanced microscopy research	Abbreviated Journal
	Volume	7	Issue	2	Pages	84-90
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Ag/ZnO and Au/CuxO (x = 1, 2) nanocomposites supported on Si(100) and polycrystalline Al2O3 were synthesised by hybrid approaches, combining chemical vapor deposition (either thermal or plasma-assisted) of host oxide matrices and subsequent radio frequency-sputtering of guest metal particles. The influence of the adopted synthetic parameters on the nanocomposite morphological and compositional features was investigated by field emission-scanning electron microscopy, transmission electron microscopy, energy dispersive X-ray spectroscopy and X-ray photoelectron spectroscopy. Results confirm the synthesis of ZnO and CuxO nanoarchitectures, characterized by a tailored morphology and an intimate metal/oxide contact. A careful control of the processing conditions enabled a fine tuning of the mutual constituent distribution, opening thus attractive perspectives for the engineering of advanced nanomaterials.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	2012-12-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2156-7573;2156-7581;	ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes	Esteem			Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:105298			Serial	3932
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	Author	Sánchez-Iglesias, A.; Grzelczak, M.; Altantzis, T.; Goris, B.; Pérez-Juste, J.; Bals, S.; Van Tendeloo, G.; Donaldson, S.H.; Chmelka, B.F.; Israelachvili, J.N.; Liz-Marzán, L.M.;
	Title	Hydrophobic interactions modulate self-assembly of nanoparticles			Type	A1 Journal article
	Year	2012	Publication	ACS nano	Abbreviated Journal	Acs Nano
	Volume	6	Issue	12	Pages	11059-11065
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Hydrophobic interactions constitute one of the most important types of nonspecific interactions in biological systems, which emerge when water molecules rearrange as two hydrophobic species come close to each other. The prediction of hydrophobic interactions at the level of nanoparticles (Brownian objects) remains challenging because of uncontrolled diffusive motion of the particles. We describe here a general methodology for solvent-induced, reversible self-assembly of gold nanoparticles into 3D clusters with well-controlled sizes. A theoretical description of the process confirmed that hydrophobic interactions are the main driving force behind nanoparticle aggregation.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000312563600070	Publication Date	2012-11-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1936-0851;1936-086X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	13.942	Times cited	311	Open Access
	Notes	267867 Plasma Quo; 246791 Countatoms; 262348 Esmi			Approved	Most recent IF: 13.942; 2012 IF: 12.062
	Call Number	UA @ lucian @ c:irua:105292			Serial	1538
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	Author	Sarmadian, N.; Saniz, R.; Lamoen, D.; Partoens, B.
	Title	Influence of Al concentration on the optoelectronic properties of Al-doped MgO			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	86	Issue	20	Pages	205129-5
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	We use density functional theory within the local density approximation to investigate the structural, electronic, and optical properties of Al-doped MgO. The concentrations considered range from 6% to 56%. In the latter case, we also compare the optical properties of the amorphous and crystalline phases. We find that, overall, the electronic properties of the crystalline phases change qualitatively little with Al concentration. On the other hand, the changes in the electronic structure in the amorphous phase are more important, most notably because of deep impurity levels in the band gap that are absent in the crystalline phase. This leads to observable effects in, e.g., the optical absorption edge and in the refractive index. Thus, the latter can be used to characterize the crystalline to amorphous transition with Al doping level.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000311605000003	Publication Date	2012-11-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	5	Open Access
	Notes	Iwt; Fwo			Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:105137			Serial	1612
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	Author	Massobrio, C.; Djimbi, D.M.; Matsubara, M.; Scipioni, R.; Boero, M.
	Title	Stability of Ge₁₂C₄₈ and Ge₂₀C₄₀ heterofullerenes : a first principles molecular dynamics study			Type	A1 Journal article
	Year	2013	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	556	Issue		Pages	163-167
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	By using first-principles molecular dynamics, we address the issue of structural stability for the C-60 Ge-m(m) family of doped heterofullerenes through a set of calculations targeting C48Ge12 and C40Ge20. Three kinds of theoretical tools are employed: (a) static structural optimization, (b) a bonding analysis based on localized orbitals (Wannier wavefunctions and centers) and (c) first-principles molecular dynamics at finite temperature. This latter tool allows concluding that the segregated form of C40Ge20 is less stable than its Si-based counterpart. However, the non-segregated forms of C40Ge20 and C40Si20 have comparable stabilities at finite temperatures. (C) 2012 Elsevier B. V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000313644100032	Publication Date	2012-11-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.815	Times cited	3	Open Access
	Notes				Approved	Most recent IF: 1.815; 2013 IF: 1.991
	Call Number	UA @ lucian @ c:irua:110085			Serial	3132
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	Author	Bliokh, K.Y.; Schattschneider, P.; Verbeeck, J.; Nori, F.
	Title	Electron vortex beams in a magnetic field : a new twist on Landau levels and Aharonov-Bohm states			Type	A1 Journal article
	Year	2012	Publication	Physical review X	Abbreviated Journal	Phys Rev X
	Volume	2	Issue	4	Pages	041011-41015
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We examine the propagation of the recently discovered electron vortex beams in a longitudinal magnetic field. We consider both the Aharonov-Bohm configuration with a single flux line and the Landau case of a uniform magnetic field. While stationary Aharonov-Bohm modes represent Bessel beams with flux- and vortex-dependent probability distributions, stationary Landau states manifest themselves as nondiffracting Laguerre-Gaussian beams. Furthermore, the Landau-state beams possess field- and vortex-dependent phases: (i) the Zeeman phase from coupling the quantized angular momentum to the magnetic field and (ii) the Gouy phase, known from optical Laguerre-Gaussian beams. Remarkably, together these phases determine the structure of Landau energy levels. This unified Zeeman-Landau-Gouy phase manifests itself in a nontrivial evolution of images formed by various superpositions of modes. We demonstrate that, depending on the chosen superposition, the image can rotate in a magnetic field with either (i) Larmor, (ii) cyclotron (double-Larmor), or (iii) zero frequency. At the same time, its centroid always follows the classical cyclotron trajectory, in agreement with the Ehrenfest theorem. Interestingly, the nonrotating superpositions reproduce stable multivortex configurations that appear in rotating superfluids. Our results open an avenue for the direct electron-microscopy observation of fundamental properties of free quantum-electron states in magnetic fields.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	College Park, Md	Editor
	Language		Wos	000311551100001	Publication Date	2012-11-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2160-3308;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.789	Times cited	130	Open Access
	Notes	Vortex ECASJO_;			Approved	Most recent IF: 12.789; 2012 IF: 6.711
	Call Number	UA @ lucian @ c:irua:105139UA @ admin @ c:irua:105139			Serial	991
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	Author	Verbeeck, J.; Tian, H.; Van Tendeloo, G.
	Title	How to manipulate nanoparticles with an electron beam?			Type	A1 Journal article
	Year	2013	Publication	Advanced materials	Abbreviated Journal	Adv Mater
	Volume	25	Issue	8	Pages	1114-1117
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000315102600003	Publication Date	2012-11-26
	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	75	Open Access
	Notes	FWO; VORTEX; Countatoms ECASJO_;			Approved	Most recent IF: 19.791; 2013 IF: 15.409
	Call Number	UA @ lucian @ c:irua:105287UA @ admin @ c:irua:105287			Serial	1494
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	Author	Bittencourt, C.; Krüger, P.; Lagos, M.J.; Ke, X.; Van Tendeloo, G.; Ewels, C.; Umek, P.; Guttmann, P.
	Title	Towards atomic resolution in sodium titanate nanotubes using near-edge X-ray-absorption fine-structure spectromicroscopy combined with multichannel multiple-scattering calculations			Type	A1 Journal article
	Year	2012	Publication	Beilstein journal of nanotechnology	Abbreviated Journal	Beilstein J Nanotech
	Volume	3	Issue		Pages	789-797
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Recent advances in near-edge X-ray-absorption fine-structure spectroscopy coupled with transmission X-ray microscopy (NEXAFS-TXM) allow large-area mapping investigations of individual nano-objects with spectral resolution up to E/Delta E = 104 and spatial resolution approaching 10 nm. While the state-of-the-art spatial resolution of X-ray microscopy is limited by nanostructuring process constrains of the objective zone plate, we show here that it is possible to overcome this through close coupling with high-level theoretical modelling. Taking the example of isolated bundles of hydrothermally prepared sodium titanate nanotubes ((Na,H)TiNTs) we are able to unravel the complex nanoscale structure from the NEXAFS-TXM data using multichannel multiple-scattering calculations, to the extent of being able to associate specific spectral features in the O K-edge and Ti L-edge with oxygen atoms in distinct sites within the lattice. These can even be distinguished from the contribution of different hydroxyl groups to the electronic structure of the (Na,H)TiNTs.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000311482400001	Publication Date	2012-11-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2190-4286;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.127	Times cited	13	Open Access
	Notes				Approved	Most recent IF: 3.127; 2012 IF: 2.374
	Call Number	UA @ lucian @ c:irua:105140			Serial	3684
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	Author	Filippov, S.K.; Sedlacek, O.; Bogomolova, A.; Vetrik, M.; Jirak, D.; Kovar, J.; Kucka, J.; Bals, S.; Turner, S.; Stepanek, P.; Hruby, M.;
	Title	Glycogen as a biodegradable construction nanomaterial for in vivo use			Type	A1 Journal article
	Year	2012	Publication	Macromolecular bioscience	Abbreviated Journal	Macromol Biosci
	Volume	12	Issue	12	Pages	1731-1738
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	It is demonstrated that glycogen as a biodegradable and inexpensive material coming from renewable resources can be used as a carrier for the construction of in vivo imaging nanoagents. The model system considered is composed of glycogen modified with gadolinium and fluorescent labels. Systematic studies of properties of these nanocarriers by a variety of physical methods and results of in vivo tests of biodegradability are reported. This represents, to the authors' best knowledge, the first such use of glycogen.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000312242600016	Publication Date	2012-11-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1616-5187;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.238	Times cited	22	Open Access
	Notes	262348 ESMI; FWO; Hercules			Approved	Most recent IF: 3.238; 2012 IF: 3.742
	Call Number	UA @ lucian @ c:irua:105286			Serial	1354
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	Author	Drozhzhin, O.A.; Vorotyntsev, M.A.; Maduar, S.R.; Khasanova, N.R.; Abakumov, A.M.; Antipov, E.V.
	Title	Li-ion diffusion in Li_xNb₉PO₂₅			Type	A1 Journal article
	Year	2013	Publication	Electrochimica acta	Abbreviated Journal	Electrochim Acta
	Volume	89	Issue		Pages	262-269
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Wadsley-Roth phase LixNb6PO25 has been studied as a potential candidate for anode material of Li-ion batteries. Its crystal structure, which consists of ReO3-type blocks of NbO6 octahedra connected with PO4 tetrahedra, provides a good stability and performance during Li+ insertion/removal. Li-ion chemical diffusion coefficient (D-chem) in LixNb6PO25 was determined by means of potentiostatic intermittent titration technique and electrochemical impedance spectroscopy. Different data treatments (classical Warburg equation or the model of an electrode system with ohmic potential drop and/or slow kinetics of the interfacial Li+ ion transfer across the electrode/electrolyte interface) were used for calculation of D-chem of the Li ion inside this material; their applicability is discussed in the article. D-chem changes with the Li-ion doping degree, x, in LixNb3PO25 and has a sharp minimum near the two-phase region at appr. 1.7V vs. Li+/Li. These values of D-chem in LixNb9PO25 (similar to 10(-9)-10(-11) cm(2) s(-1)) were found to be in average noticeably higher than in the widely studied anode material, Li4Ti5O12. (C) 2012 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000315558200034	Publication Date	2012-11-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0013-4686;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.798	Times cited	11	Open Access
	Notes				Approved	Most recent IF: 4.798; 2013 IF: 4.086
	Call Number	UA @ lucian @ c:irua:108312			Serial	1816
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	Author	Vasiliev, R.B.; Babynina, A.V.; Maslova, O.A.; Rumyantseva, M.N.; Ryabova, L.I.; Dobrovolsky, A.A.; Drozdov, K.A.; Khokhlov, D.R.; Abakumov, A.M.; Gaskov, A.M.
	Title	Photoconductivity of nanocrystalline SnO₂ sensitized with colloidal CdSe quantum dots			Type	A1 Journal article
	Year	2013	Publication	Journal of materials chemistry C : materials for optical and electronic devices	Abbreviated Journal	J Mater Chem C
	Volume	1	Issue	5	Pages	1005-1010
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A highly reproducible photoresponse is observed in nanocrystalline SnO2 thick films sensitized with CdSe quantum dots. The effect of the SnO2 matrix microstructure on the photoconductivity kinetics and photoresponse amplitude is demonstrated. The photoresponse of the sensitized SnO2 thick films reaches more than two orders of magnitude under illumination with the wavelength of the excitonic transition of the quantum dots. Long-term photoconductivity kinetics and photoresponse dependence on illumination intensity reveal power-law behavior inherent to the disordered nature of SnO2. The photoconductivity of the samples rises with the coarsening of the granular structure of the SnO2 matrix. At the saturation region, the photoresponse amplitude remains stable under 10(4) pulses of illumination switching, demonstrating a remarkably high stability.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000314803600016	Publication Date	2012-11-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2050-7526;2050-7534;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.256	Times cited	13	Open Access
	Notes				Approved	Most recent IF: 5.256; 2013 IF: NA
	Call Number	UA @ lucian @ c:irua:107705			Serial	2610
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	Author	L. Zhang, J. Kim, J. Zhang, F. Nan, N. Gauquelin, G.A. Botton, P. He, R. Bashyam, S. Knights
	Title	Ti4O7 supported Ru@Pt core–shell catalyst for CO-tolerance in PEM fuel cell hydrogen oxidation reaction			Type	A1 Journal Article
	Year	2013	Publication	Applied Energy	Abbreviated Journal
	Volume	103	Issue	March 2013	Pages	507-513
	Keywords	A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
	Abstract	A new method is developed for synthesizing Ti4O7 supported Ru@Pt core–shell catalyst (Ru@Pt/Ti4O7) through pyrolysis followed by microwave irradiation. The purpose is to improve the Ru durability of PtRu from core–shell structure and strong bonding to Ti4O7 oxide. In this method, the first step is to co-reduce the mixture of ruthenium precursor and TiO2 in a H2 reducing atmosphere under heat-treatment to obtain a Ru core on Ti4O7 support, and the second step is to create a shell of platinum via microwave irradiation. Energy dispersive X-ray spectrometry, X-ray Diffraction, High-resolution Scanning Transmission Electron Microscopy with the high-angle annular dark-field method and Electron Energy-Loss Spectroscopy are used to demonstrate that this catalyst with larger particles has a core–shell structure with a Ru core and a Pt shell. Electrochemical measurements show Ru@Pt/Ti4O7 catalyst has a higher CO-tolerance capability than that of PtRu/C alloy catalyst.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000314669500048	Publication Date	2012-11-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links
	Impact Factor		Times cited	33	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	EMAT @ emat @			Serial	4547
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	Author	Peirs, J.; Tirry, W.; Amin-Ahmadi, B.; Coghe, F.; Verleysen, P.; Rabet, L.; Schryvers, D.; Degrieck, J.
	Title	Microstructure of adiabatic shear bands in Ti6Al4V			Type	A1 Journal article
	Year	2013	Publication	Materials characterization	Abbreviated Journal	Mater Charact
	Volume	75	Issue		Pages	79-92
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Microstructural deformation mechanisms in adiabatic shear bands in Ti6Al4V are studied using traditional TEM and selected area diffraction, and more advanced microstructural characterisation techniques such as energy dispersive X-ray spectroscopy, high angle annular dark field STEM and conical dark field TEM. The shear bands under investigation are induced in Ti6Al4V samples by high strain rate compression of cylindrical and hat-shaped specimens in a split Hopkinson pressure bar setup. Samples from experiments interrupted at different levels of deformation are used to study the evolution of the microstructure in and nearby the shear bands. From the early stages of adiabatic shear band formation, TEM revealed strongly elongated equiaxed grains in the shear band. These band-like grains become narrower towards the centre of the band and start to fraction even further along their elongated direction to finally result in a nano-crystalline region in the core. In fully developed shear bands, twins and a needle-like martensite morphology are observed near the shear band.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York	Editor
	Language		Wos	000314860900011	Publication Date	2012-11-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1044-5803;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.714	Times cited	56	Open Access
	Notes	Iuap; Fwo			Approved	Most recent IF: 2.714; 2013 IF: 1.925
	Call Number	UA @ lucian @ c:irua:105300			Serial	2065
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	Author	Altantzis, T.; Goris, B.; Sánchez-Iglesias, A.; Grzelczak, M.; Liz-Marzán, L.M.; Bals, S.
	Title	Quantitative structure determination of large three-dimensional nanoparticle assemblies			Type	A1 Journal article
	Year	2013	Publication	Particle and particle systems characterization	Abbreviated Journal	Part Part Syst Char
	Volume	30	Issue	1	Pages	84-88
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Thumbnail image of graphical abstract To investigate nanoassemblies in three dimensions, electron tomography is an important tool. For large nanoassemblies, it is not straightforward to obtain quantitative results in three dimensions. An optimized acquisition technique, incoherent bright field scanning transmission electron microscopy, is combined with an advanced 3D reconstruction algorithm. The approach is applied to quantitatively analyze large nanoassemblies in three dimensions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000310806000008	Publication Date	2012-11-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0934-0866;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.474	Times cited	23	Open Access
	Notes	Goa; Fwo; 267867 Plasmaquo; 262348 Esmi			Approved	Most recent IF: 4.474; 2013 IF: 0.537
	Call Number	UA @ lucian @ c:irua:101776			Serial	2763
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	Author	Kalidindi, S.B.; Wiktor, C.; Ramakrishnan, A.; Weßing, J.; Schneemann, A.; Van Tendeloo, G.; Fischer, R.A.
	Title	Lewis base mediated efficient synthesis and solvation-like host-guest chemistry of covalent organic framework-1			Type	A1 Journal article
	Year	2013	Publication	Chemical communications	Abbreviated Journal	Chem Commun
	Volume	49	Issue	5	Pages	463-465
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	N-Lewis base mediated room temperature synthesis of covalent organic frameworks (COFs) starting from a solution of building blocks instead of partially soluble building blocks was developed. This protocol shifts COF synthetic chemistry from sealed tubes to open beakers. Non-conventional inclusion compounds of COF-1 were obtained by vapor phase infiltration of ferrocene and azobenzene, and solvation like effects were established.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000312193100007	Publication Date	2012-11-06
	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	17	Open Access
	Notes	262348 Esmi			Approved	Most recent IF: 6.319; 2013 IF: 6.718
	Call Number	UA @ lucian @ c:irua:105953			Serial	1815
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	Author	Sánchez-Muñoz, L.; García-Guinea, J.; Zagorsky, V.Y.; Juwono, T.; Modreski, P.J.; Cremades, A.; Van Tendeloo, G.; de Moura, O.J.M.
	Title	The evolution of twin patterns in perthitic K-feldspar from garnitic pegmatites			Type	A1 Journal article
	Year	2012	Publication	Canadian mineralogist	Abbreviated Journal	Can Mineral
	Volume	50	Issue	4	Pages	989-1024
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Grains of K-feldspar are commonly seen as heterogeneous mixtures of mineral species and varieties with random microstructures. Most consider that observable features arise from incomplete re-equilibrations owing to slow kinetic and localized effects of aqueous fluids (catalyst), with geological environment and chemical impurities playing only a secondary role. Here, an alternative approach is explored by studying well-preserved regularities in the twin patterns of K-feldspars formed in the subsolidus stage from a historical perspective. Selected samples from granitic pegmatites were studied by polarized light optical microscopy (PLOM), electron-probe micro-analysis (EPMA), scanning (SEM) and transmission electron microscopy (TEM), cathodoluminescence imaging (CL), micro-Raman spectroscopy (MRS) and 31P nuclear magnetic resonance (NMR). We have found that the essential feature of this crystalline medium is the astounding capability to recrystallize in self-organized twin patterns. The mechanism involves coupling between short-range atomic motion, and long-range displacive correlations propagated as ideal and non-ideal Albite and Pericline orientations. We suggest a general evolutionary process to explain the development of macroscopic twin patterns in microcline, based on three twin generations as microtwins, macrotwins and cryptotwins. Evolutionary variants also were identified; they depend on both internal crystallochemical features and an external geological stimulus. We suggest a continuous monoclinictriclinic transformation for impure K-feldspar, whereas a discontinuous inversion occurs where the starting composition is close to the ideal chemical formula. Twin patterns can evolve by twin coarsening to single-orientation microcline if the system releases energy, or by twin fragmentation to finely twinned microcline if the system stores energy. Hence, K-feldspar is seen here as a very sensitive medium in which precious geological information is recorded in the form of twin patterns, and thus useful for general geological challenges.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Toronto	Editor
	Language		Wos	000314174400015	Publication Date	2012-10-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0008-4476;1499-1276;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	0.817	Times cited	11	Open Access
	Notes				Approved	Most recent IF: 0.817; 2012 IF: 1.180
	Call Number	UA @ lucian @ c:irua:101781			Serial	1103
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	Author	Lichtert, S.; Verbeeck, J.
	Title	Statistical consequences of applying a PCA noise filter on EELS spectrum images			Type	A1 Journal article
	Year	2013	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	125	Issue		Pages	35-42
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Principal component analysis (PCA) noise filtering is a popular method to remove noise from experimental electron energy loss (EELS) spectrum images. Here, we investigate the statistical behaviour of this method by applying it on a simulated data set with realistic noise levels. This phantom data set provides access to the true values contained in the data set as well as to many different realizations of the noise. Using least squares fitting and parameter estimation theory, we demonstrate that even though the precision on the estimated parameters can be better as the CramérRao lower bound, a significant bias is introduced which can alter the conclusions drawn from experimental data sets. The origin of this bias is in the incorrect retrieval of the principal loadings for noisy data. Using an expression for the bias and precision of the singular values from literature, we present an evaluation criterion for these singular values based on the noise level and the amount of information present in the data set. This criterion can help to judge when to avoid PCA noise filtering in practical situations. Further we show that constructing elemental maps of PCA noise filtered data using the background subtraction method, does not guarantee an increase in the signal to noise ratio due to correlation of the spectral data as a result of the filtering process.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000314679700006	Publication Date	2012-10-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-3991;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.843	Times cited	54	Open Access
	Notes	Fwo; Countatoms; Vortex; Esteem 312483; esteem2jra3 ECASJO;			Approved	Most recent IF: 2.843; 2013 IF: 2.745
	Call Number	UA @ lucian @ c:irua:105293			Serial	3153
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	Author	Retuerto, M.; Li, M.R.; Go, Y.B.; Ignatov, A.; Croft, M.; Ramanujachary, K.V.; Hadermann, J.; Hodges, J.P.; Herber, R.H.; Nowik, I.; Greenblatt, M.;
	Title	Magnetic and structural studies of the multifunctional material SrFe_0.75Mo_0.25O_{3-\text{\textgreek{d}}}			Type	A1 Journal article
	Year	2012	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	51	Issue	22	Pages	12273-12280
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	SrFe0.75Mo0.25O3-delta has been recently discovered as an extremely efficient electrode for intermediate temperature solid oxide fuel cells (IT-SOFCs). We have performed structural and magnetic studies to fully characterize this multifunctional material. We have observed by powder neutron diffraction (PND) and transmission electron microscopy (TEM) that its crystal symmetry is better explained with a tetragonal symmetry (I4/mcm space group) than with the previously reported orthorhombic symmetry (Pnma space group). The temperature dependent magnetic properties indicate an exceptionally high magnetic ordering temperature (T-N similar to 750 K), well above room temperature. The ordered magnetic structure at low temperature was determined by PND to be an antiferromagnetic coupling of the Fe cations. Mossbauer spectroscopy corroborated the PND results. A detailed study, with X-ray absorption spectroscopy (XAS), in agreement with the Mossbauer results, confirmed the formal oxidation states of the cations to be mixed valence Fe3+/4+ and Mo6+.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000311173700024	Publication Date	2012-10-26
	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	12	Open Access
	Notes				Approved	Most recent IF: 4.857; 2012 IF: 4.593
	Call Number	UA @ lucian @ c:irua:105142			Serial	1862
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	Author	Dubrovinsky, L.; Dubrovinskaia, N.; Prakapenka, V.B.; Abakumov, A.M.
	Title	Implementation of micro-ball nanodiamond anvils for high-pressure studies above 6 Mbar			Type	A1 Journal article
	Year	2012	Publication	Nature communications	Abbreviated Journal	Nat Commun
	Volume	3	Issue		Pages	1163-1167
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Since invention of the diamond anvil cell technique in the late 1950s for studying materials at extreme conditions, the maximum static pressure generated so far at room temperature was reported to be about 400 GPa. Here we show that use of micro-semi-balls made of nanodiamond as second-stage anvils in conventional diamond anvil cells drastically extends the achievable pressure range in static compression experiments to above 600 GPa. Micro-anvils (10-50 mu m in diameter) of superhard nano-diamond (with a grain size below similar to 50 nm) were synthesized in a large volume press using a newly developed technique. In our pilot experiments on rhenium and gold we have studied the equation of state of rhenium at pressures up to 640 GPa and demonstrated the feasibility and crucial necessity of the in situ ultra high-pressure measurements for accurate determination of material properties at extreme conditions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000313514100073	Publication Date	2012-10-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2041-1723;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.124	Times cited	150	Open Access
	Notes				Approved	Most recent IF: 12.124; 2012 IF: 10.015
	Call Number	UA @ lucian @ c:irua:110134			Serial	1563
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	Author	Tzedaki, G.; M.; Turner, S.; Godet, S.; De Graeve, I.; Kernig, B.; Hasenclever, J.; Terryn, H.
	Title	Structure and formation mechanism of rolled-in oxide areas on aluminum lithographic printing sheets			Type	A1 Journal article
	Year	2013	Publication	Scripta materialia	Abbreviated Journal	Scripta Mater
	Volume	68	Issue	5	Pages	233-236
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The subsurface area introduced during rolling on the 1100 aluminum alloy series alters its surface properties, which makes it more susceptible to corrosion. A combination of different transmission electron microscopy techniques is employed to observe the orientation of small grain structures and the distribution elements in the subsurface layer. This approach provided valuable insight into the formation mechanism of the layer and the phenomena taking place during rolling.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000314012000003	Publication Date	2012-10-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-6462;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.747	Times cited	6	Open Access
	Notes	Fwo			Approved	Most recent IF: 3.747; 2013 IF: 2.968
	Call Number	UA @ lucian @ c:irua:105288			Serial	3277
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	Author	Matsubara, M.; Amini, M.N.; Saniz, R.; Lamoen, D.; Partoens, B.
	Title	Attracting shallow donors : hydrogen passivation in (Al,Ga,In)-doped ZnO			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	86	Issue	16	Pages	165207
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	The hydrogen interstitial and the substitutional AlZn, GaZn, and InZn are all shallow donors in ZnO and lead to n-type conductivity. Although shallow donors are expected to repel each other, we show by first-principles calculations that in ZnO these shallow donor impurities attract and form a complex, leading to a donor level deep in the band gap. This puts a limit on the n-type conductivity of (Al,Ga,In)-doped ZnO in the presence of hydrogen.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000310131300008	Publication Date	2012-10-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	7	Open Access
	Notes	Iwt; Fwo; Bof-Noi			Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:101780			Serial	202
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	Author	Goris, B.; Bals, S.; van den Broek, W.; Carbó-Argibay, E.; Gómez-Graña, S.; Liz-Marzán, L.M.; Van Tendeloo, G.
	Title	Atomic-scale determination of surface facets in gold nanorods			Type	A1 Journal article
	Year	2012	Publication	Nature materials	Abbreviated Journal	Nat Mater
	Volume	11	Issue	11	Pages	930-935
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	It is widely accepted that the physical properties of nanostructures depend on the type of surface facets1, 2. For Au nanorods, the surface facets have a major influence on crucial effects such as reactivity and ligand adsorption and there has been controversy regarding facet indexing3, 4. Aberration-corrected electron microscopy is the ideal technique to study the atomic structure of nanomaterials5, 6. However, these images correspond to two-dimensional (2D) projections of 3D nano-objects, leading to an incomplete characterization. Recently, much progress was achieved in the field of atomic-resolution electron tomography, but it is still far from being a routinely used technique. Here we propose a methodology to measure the 3D atomic structure of free-standing nanoparticles, which we apply to characterize the surface facets of Au nanorods. This methodology is applicable to a broad range of nanocrystals, leading to unique insights concerning the connection between the structure and properties of nanostructures.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000310434600015	Publication Date	2012-10-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1476-1122;1476-4660;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	39.737	Times cited	261	Open Access
	Notes	262348 ESMI; Hercules 3; 24691 COUNTATOMS; 267867 PLASMAQUO			Approved	Most recent IF: 39.737; 2012 IF: 35.749
	Call Number	UA @ lucian @ c:irua:101778			Serial	182
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	Author	Verheyen, E.; Joos, L.; Van Havenbergh, K.; Breynaert, E.; Kasian, N.; Gobechiya, E.; Houthoofd, K.; Martineau, C.; Hinterstein, M.; Taulelle, F.; Van Speybroeck, V.; Waroquier, M.; Bals, S.; Van Tendeloo, G.; Kirschhock, C.E.A.; Martens, J.A.;
	Title	Design of zeolite by inverse sigma transformation			Type	A1 Journal article
	Year	2012	Publication	Nature materials	Abbreviated Journal	Nat Mater
	Volume	11	Issue	12	Pages	1059-1064
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Although the search for new zeolites has traditionally been based on trial and error, more rational methods are now available. The theoretical concept of inverse transformation of a zeolite framework to generate a new structure by removal of a layer of framework atoms and contraction has for the first time been achieved experimentally. The reactivity of framework germanium atoms in strong mineral acid was exploited to selectively remove germanium-containing four-ring units from an UTL type germanosilicate zeolite. Annealing of the leached framework through calcination led to the new all-silica COK-14 zeolite with intersecting 12- and 10-membered ring channel systems. An intermediate stage of this inverse transformation with dislodged germanate four-rings still residing in the pores could be demonstrated. Inverse transformation involving elimination of germanium-containing structural units opens perspectives for the synthesis of many more zeolites.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000311432600025	Publication Date	2012-10-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1476-1122;1476-4660;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	39.737	Times cited	140	Open Access
	Notes	Fwo			Approved	Most recent IF: 39.737; 2012 IF: 35.749
	Call Number	UA @ lucian @ c:irua:101783			Serial	661
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	Author	Hadermann, J.; Abakumov, A.M.; Tsirlin, A.A.; Rozova, M.G.; Sarakinou, E.; Antipov, E.V.
	Title	Expanding the Ruddlesden-Popper manganite family : the n=3 La_3.2Ba_0.8Mn₃O₁₀ Member			Type	A1 Journal article
	Year	2012	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	51	Issue	21	Pages	11487-11492
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	La3.2Ba0.8Mn3O10, a representative of the rare n = 3 members of the Ruddlesden-Popper manganites A(n+1)Mn(n)O(3n+1), was synthesized in an evacuated sealed silica tube. Its crystal structure was refined from a combination of powder X-ray diffraction (PXD) and precession electron diffraction (PED) data, with the rotations of the MnO6 octahedra described within the symmetry-adapted mode approach (space group Cccm, a = 29.068(1) angstrom, b = 5.5504(5) angstrom, c = 5.5412(5) angstrom; PXD RF = 0.053, RP = 0.026; PED RF = 0.248). The perovskite block in La3.2Ba0.8Mn3O10 features an octahedral tilting distortion with out-of-phase rotations of the Mn06 octahedra according to the (Phi,Phi,0)(Phi,Phi,0) mode, observed for the first time in the n = 3 Ruddlesden-Popper structures. The Mn06 octahedra demonstrate a noticeable deformation with the elongation of two apical Mn-O bonds due to the Jahn-Teller effect in the Mn3+ cations. The relationships between the octahedral tilting distortion, the ionic radii of the cations at the A- and B-positions, and the mismatch between the perovslcite and rock-salt blocks of the Ruddlesden-Popper structure are discussed. At low temperatures, La3.2Ba0.8Mn3O10 reveals a sizable remnant magnetization of about 1.3 mu(B)/Mn at 2K, and shows signatures of spin freezing below 150 K.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000313220200036	Publication Date	2012-10-17
	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	2	Open Access
	Notes				Approved	Most recent IF: 4.857; 2012 IF: 4.593
	Call Number	UA @ lucian @ c:irua:110121			Serial	1133
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