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	Author	Sels, D.; Sorée, B.; Groeseneken, G.
	Title	2-D rotational invariant multi sub band Schrödinger-Poisson solver to model nanowire transistors			Type	A1 Journal article
	Year	2010	Publication		Abbreviated Journal
	Volume		Issue		Pages	85-88
	Keywords	A1 Journal article; Electron Microscopy for Materials Science (EMAT);
	Abstract
	Address
	Corporate Author				Thesis
	Publisher	Pisa University Press	Place of Publication	Pisa	Editor
	Language		Wos		Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title	14th International Workshop on Computational Electronics
	Series Volume		Series Issue		Edition
	ISSN	978-1-4244-9381-4	ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:91699			Serial	6
Permanent link to this record



	Author	Tsirlin, A.A.; Nath, R.; Abakumov, A.M.; Furukawa, Y.; Johnston, D.C.; Hemmida, M.; Krug von Nidda, H.-A.; Loidl, A.; Geibel, C.; Rosner, H.
	Title	Phase separation and frustrated square lattice magnetism of Na_1.5VOPO₄F_0.5			Type	A1 Journal article
	Year	2011	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	84	Issue	1	Pages	014429-014429,16
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Crystal structure, electronic structure, and magnetic behavior of the spin-1/2 quantum magnet Na1.5VOPO4F0.5 are reported. The disorder of Na atoms leads to a sequence of structural phase transitions revealed by synchrotron x-ray powder diffraction and electron diffraction. The high-temperature second-order α↔β transition at 500 K is of the order-disorder type, whereas the low-temperature β↔γ+γ′ transition around 250 K is of the first order and leads to a phase separation toward the polymorphs with long-range (γ) and short-range (γ′) order of Na. Despite the complex structural changes, the magnetic behavior of Na1.5VOPO4F0.5 probed by magnetic susceptibility, heat capacity, and electron spin resonance measurements is well described by the regular frustrated square lattice model of the high-temperature α-polymorph. The averaged nearest-neighbor and next-nearest-neighbor couplings are J̅ 1≃−3.7 K and J̅ 2≃6.6 K, respectively. Nuclear magnetic resonance further reveals the long-range ordering at TN=2.6 K in low magnetic fields. Although the experimental data are consistent with the simplified square-lattice description, band structure calculations suggest that the ordering of Na atoms introduces a large number of inequivalent exchange couplings that split the square lattice into plaquettes. Additionally, the direct connection between the vanadium polyhedra induces an unusually strong interlayer coupling having effect on the transition entropy and the transition anomaly in the specific heat. Peculiar features of the low-temperature crystal structure and the relation to isostructural materials suggest Na1.5VOPO4F0.5 as a parent compound for the experimental study of tetramerized square lattices as well as frustrated square lattices with different values of spin.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000293247400008	Publication Date	2011-07-28
	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	47	Open Access
	Notes				Approved	Most recent IF: 3.836; 2011 IF: 3.691
	Call Number	UA @ lucian @ c:irua:91770			Serial	2588
Permanent link to this record



	Author	de Backer, A.; Van Aert, S.; van Dyck, D.
	Title	High precision measurements of atom column positions using model-based exit wave reconstruction			Type	A1 Journal article
	Year	2011	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	111	Issue	9/10	Pages	1475-1482
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	In this paper, it has been investigated how to measure atom column positions as accurately and precisely as possible using a focal series of images. In theory, it is expected that the precision would considerably improve using a maximum likelihood estimator based on the full series of focal images. As such, the theoretical lower bound on the variances of the unknown atom column positions can be attained. However, this approach is numerically demanding. Therefore, maximum likelihood estimation has been compared with the results obtained by fitting a model to a reconstructed exit wave rather than to the full series of focal images. Hence, a real space model-based exit wave reconstruction technique based on the channelling theory is introduced. Simulations show that the reconstructed complex exit wave contains the same amount of information concerning the atom column positions as the full series of focal images. Only for thin samples, which act as weak phase objects, this information can be retrieved from the phase of the reconstructed complex exit wave.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000300461200004	Publication Date	2011-07-28
	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	8	Open Access
	Notes	Fwo			Approved	Most recent IF: 2.843; 2011 IF: 2.471
	Call Number	UA @ lucian @ c:irua:91879			Serial	1438
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	Author	Schattschneider, P.; Verbeeck, J.
	Title	Theory of free electron vortices			Type	A1 Journal article
	Year	2011	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	111	Issue	9/10	Pages	1461-1468
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The recent creation of electron vortex beams and their first practical application motivates a better understanding of their properties. Here, we develop the theory of free electron vortices with quantized angular momentum, based on solutions of the Schrödinger equation for cylindrical boundary conditions. The principle of transformation of a plane wave into vortices with quantized angular momentum, their paraxial propagation through round magnetic lenses, and the effect of partial coherence are discussed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000300461200002	Publication Date	2011-07-26
	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	57	Open Access
	Notes	Esteem 026019			Approved	Most recent IF: 2.843; 2011 IF: 2.471
	Call Number	UA @ lucian @ c:irua:91882			Serial	3617
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	Author	Kalkert, C.; Krisponeit, J.-O.; Esseling, M.; Lebedev, O.I.; Moshnyaga, V.; Damaschke, B.; Van Tendeloo, G.; Samwer, K.
	Title	Resistive switching at manganite/manganite interfaces			Type	A1 Journal article
	Year	2011	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	99	Issue	13	Pages	132512-132512,3
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We report bipolar resistive switching between the interfaces of manganite nanocolumns. La0.7Sr0.3MnO3 films were prepared on Al2O3 substrates, where the films grow in nanocolumns from the substrate to the surface. Conductive atomic force microscopy directly detects that the resistive switching is located at the boundaries of the grains. Furthermore, mesoscopic transport measurements reveal a tunnel magnetoresistance. In combination with the resistive switching, this leads to a total of four different resistive states.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000295618000052	Publication Date	2011-09-29
	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	10	Open Access
	Notes				Approved	Most recent IF: 3.411; 2011 IF: 3.844
	Call Number	UA @ lucian @ c:irua:91884			Serial	2881
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	Author	Corthals, S.; van Noyen, J.; Liang, D.; Ke, X.; Van Tendeloo, G.; Jacobs, P.; Sels, B.
	Title	A cyclic catalyst pretreatment in CO₂ for high yield production of Carbon nanofibers with narrow diameter distribution			Type	A1 Journal article
	Year	2011	Publication	Catalysis letters	Abbreviated Journal	Catal Lett
	Volume	141	Issue	11	Pages	1621-1624
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	This paper presents a cyclic catalyst pretreatment process to improve the CNF yield with narrow size distribution by sequentially feeding the CVD reactor with CH4/CO2 mixtures (carbon deposition) and CO2 (carbon removal) prior to the actual growth process. A mechanism based on a break-up of large Ni particles tentatively explains the beneficial effect of the cyclic carbon deposition/removal CVD procedure.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Basel	Editor
	Language		Wos	000296471400006	Publication Date	2011-09-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1011-372X;1572-879X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.799	Times cited	1	Open Access
	Notes	Iwt; Iap			Approved	Most recent IF: 2.799; 2011 IF: 2.242
	Call Number	UA @ lucian @ c:irua:91888			Serial	598
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	Author	Bittencourt, C.; Navio, C.; Nicolay, A.; Ruelle, B.; Godfroid, T.; Snyders, R.; Colomer, J.-F.; Lagos, M.J.; Ke, X.; Van Tendeloo, G.; Suarez-Martinez, I.; Ewels, C.P.
	Title	Atomic oxygen functionalization of vertically aligned carbon nanotubes			Type	A1 Journal article
	Year	2011	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	115	Issue	42	Pages	20412-20418
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Vertically aligned multiwalled carbon nanotubes (v-MWCNTs) are functionalized using atomic oxygen generated in a microwave plasma. X-ray photoelectron spectroscopy depth profile analysis shows that the plasma treatment effectively grafts oxygen exclusively at the v-MWCNT tips. Electron microscopy shows that neither the vertical alignment nor the structure of v-MWCNTs were affected by the plasma treatment. Density functional calculations suggest assignment of XPS C 1s peaks at 286.6 and 287.5 eV, to epoxy and carbonyl functional groups, respectively.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000296205600009	Publication Date	2011-10-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-7447;1932-7455;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.536	Times cited	31	Open Access
	Notes	Iap			Approved	Most recent IF: 4.536; 2011 IF: 4.805
	Call Number	UA @ lucian @ c:irua:91890			Serial	174
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	Author	Quintana, M.; Montellano, A.; Esau del Rio Castillo, A.; Van Tendeloo, G.; Bittencourt, C.; Prato, M.
	Title	Selective organic functionalization of graphene bulk or graphene edges			Type	A1 Journal article
	Year	2011	Publication	Chemical communications	Abbreviated Journal	Chem Commun
	Volume	47	Issue	33	Pages	9330-9332
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Graphene sheets have been functionalized with a PAMAM dendron, finding that graphene can be efficiently functionalized all over the surface, or only at the edges, depending on the reactions used in the functionalization process.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000293648200010	Publication Date	2011-07-20
	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	84	Open Access
	Notes				Approved	Most recent IF: 6.319; 2011 IF: 6.169
	Call Number	UA @ lucian @ c:irua:91892			Serial	2968
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	Author	Simon, Q.; Barreca, D.; Bekermann, D.; Gasparotto, A.; Maccato, C.; Comini, E.; Gombac, V.; Fornasiero, P.; Lebedev, O.I.; Turner, S.; Devi, A.; Fischer, R.A.; Van Tendeloo, G.
	Title	Plasma-assisted synthesis of Ag/ZnO nanocomposites : first example of photo-induced H₂ production and sensing			Type	A1 Journal article
	Year	2011	Publication	International journal of hydrogen energy	Abbreviated Journal	Int J Hydrogen Energ
	Volume	36	Issue	24	Pages	15527-15537
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Ag/ZnO nanocomposites were developed by a plasma-assisted approach. The adopted strategy exploits the advantages of Plasma Enhanced-Chemical Vapor Deposition (PE-CVD) for the growth of columnar ZnO arrays on Si(100) and Al2O3 substrates, in synergy with the infiltration power of the Radio Frequency (RF)-sputtering technique for the subsequent dispersion of different amounts of Ag nanoparticles (NPs). The resulting composites, both as-prepared and after annealing in air, were thoroughly characterized with particular attention on their morphological organization, structure and composition. For the first time, the above systems have been used as catalysts in the production of hydrogen by photo-reforming of alcoholic solutions, yielding a stable H2 evolution even by the sole use of simulated solar radiation. In addition, Ag/ZnO nanocomposites presented an excellent response in the gas-phase detection of H2, opening attractive perspectives for advanced technological applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000297089700006	Publication Date	2011-10-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0360-3199;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.582	Times cited	62	Open Access
	Notes	Esteem 026019; Fwo			Approved	Most recent IF: 3.582; 2011 IF: 4.054
	Call Number	UA @ lucian @ c:irua:91901			Serial	2627
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	Author	Orlinskii, S.B.; Bogomolov, R.S.; Kiyamova, A.M.; Yavkin, B.V.; Mamin, G.M.; Turner, S.; Van Tendeloo, G.; Shiryaev, A.A.; Vlasov, I.I.; Shenderova, O.
	Title	Identification of substitutional nitrogen and surface paramagnetic centers in nanodiamond of dynamic synthesis by electron paramagnetic resonance			Type	A1 Journal article
	Year	2011	Publication	Nanoscience and nanotechnology letters	Abbreviated Journal	Nanosci Nanotech Let
	Volume	3	Issue	1	Pages	63-67
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Production of nanodiamond particles containing substitutional nitrogen is important for a wide variety of advanced applications. In the current work nanodiamond particles synthesized from a mixture of graphite and hexogen were analyzed to determine the presence of substitutional nitrogen using pulsed electron paramagnetic resonance (EPR) spectroscopy. Nitrogen paramagnetic centers in the amount of 1.2 ppm have been identified. The spin relaxation characteristics for both nitrogen and surface defects are also reported. A new approach for efficient depletion of the strong non-nitrogen EPR signal in nanodiamond material by immersing nanodiamond particles into ice matrix is suggested. This approach allows an essential decrease of the spin relaxation time of the dominant non-nitrogen defects, while preserving the substitutional nitrogen spin relaxation time.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000293211200012	Publication Date	2011-09-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1941-4900;1941-4919;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.889	Times cited	14	Open Access
	Notes				Approved	Most recent IF: 1.889; 2011 IF: 0.528
	Call Number	UA @ lucian @ c:irua:91943			Serial	1548
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	Author	Grodzinska, D.; Pietra, F.; van Huis, M.A.; Vanmaekelbergh, D.; de Mello Donegá, C.
	Title	Thermally induced atomic reconstruction of PbSe/CdSe core/shell quantum dots into PbSe/CdSe bi-hemisphere hetero-nanocrystals			Type	A1 Journal article
	Year	2011	Publication	Journal of materials chemistry	Abbreviated Journal	J Mater Chem
	Volume	21	Issue	31	Pages	11556-11565
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The properties of hetero-nanocrystals (HNCs) depend strongly on the mutual arrangement of the nanoscale components. In this work we have investigated the structural and morphological evolution of colloidal PbSe/CdSe core/shell quantum dots upon annealing under vacuum. Prior to annealing the PbSe core has an approximately octahedral morphology with eight {111} facets, and the CdSe shell has zinc-blende crystal structure. Thermal annealing under vacuum at temperatures between 150 °C and 200 °C induces a structural and morphological reconstruction of the HNCs whereby the PbSe core and the CdSe shell are reorganized into two hemispheres joined by a common {111} Se plane. This thermally induced reconstruction leads to considerable changes in the optical properties of the colloidal PbSe/CdSe HNCs.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000293190200018	Publication Date	2011-04-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0959-9428;1364-5501;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	44	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:91945			Serial	3632
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	Author	de Clippel, F.; Harkiolakis, A.; Vosch, T.; Ke, X.; Giebeler, L.; Oswald, S.; Houthoofd, K.; Jammaer, J.; Van Tendeloo, G.; Martens, J.A.; Jacobs, P.A.; Baron, G.V.; Sels, B.F.; Denayer, J.F.M.
	Title	Graphitic nanocrystals inside the pores of mesoporous silica : synthesis, characterization and an adsorption study			Type	A1 Journal article
	Year	2011	Publication	Microporous and mesoporous materials: zeolites, clays, carbons and related materials	Abbreviated Journal	Micropor Mesopor Mat
	Volume	144	Issue	1/3	Pages	120-133
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	This work presents a new carbonsilica hybrid material, denoted as CSM, with remarkable sorption properties. It consists of intraporous graphitic nanocrystals grown in the pores of mesoporous silica. CSM is obtained by a subtle incipient wetness impregnation of Al-containing mesoporous silica with furfuryl alcohol (FA)/hemelitol solutions. Both the volume match of the impregnation solution with that of the silica template pore volume, and the presence of Al3+ in the silica, are crucial to polymerize FA selectively inside the mesopores. Carbonization of the intraporous polymer was then performed by pyrolysis under He up to 1273 K. The resulting CSMs were examined by SEM, HRTEM, 27Al MAS NMR, N2 adsorption, XRD, TGA, TPD, XPS, pycnometry and Raman spectroscopy. Mildly oxidized graphitic-like carbon nanoblocks, consisting of a few graphene-like sheets, were thus identified inside the template mesopores. Random stacking of these carbon crystallites generates microporosity resulting in biporous materials at low carbon content and microporous materials at high carbon loadings. Very narrow pore distributions were obtained when pyrolysis was carried out under slow heating rate, viz. 1 K min−1. Adsorption and shape selective properties of the carbon filled mesoporous silica were studied by performing pulse chromatography and breakthrough experiments, and by measuring adsorption isotherms of linear and branched alkanes. Whereas the parent mesoporous silica shows unselective adsorption, their CSM analogues preferentially adsorb linear alkanes. The sorption capacity and selectivity can be adjusted by changing the pore size of the template or by varying the synthesis conditions. A relation between the carbon crystallites size and the shape selective behaviour of the corresponding CSM for instance is demonstrated. Most interestingly, CSM shows separation factors for linear and branched alkanes up to values comparable to those of zeolitic molecular sieves.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000293435400016	Publication Date	2011-04-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1387-1811;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.615	Times cited	15	Open Access
	Notes				Approved	Most recent IF: 3.615; 2011 IF: 3.285
	Call Number	UA @ lucian @ c:irua:92325			Serial	1380
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	Author	Fang, C.M.; van Huis, M.A.; Jansen, J.; Zandbergen, H.W.
	Title	Role of carbon and nitrogen in Fe₂C and Fe₂N from first-principles calculations			Type	A1 Journal article
	Year	2011	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	84	Issue	9	Pages	094102-094102,10
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Although Fe2C and Fe2N are technologically important materials, the exact nature of the chemical bonding of C and N atoms and the related impact on the electronic properties are at present unclear. Here, results of first-principles electronic structure calculations for Fe2X (X = C, N) phases are presented. The electronic structure calculations show that the roles of N and C in iron nitrides and carbides are comparable, and that the X-X interactions have significant impact on electronic properties. Accurate analysis of the spatially resolved differences in electron densities reveals a subtle distinction between the chemical bonding and charge transfer of N and C ions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000294772800003	Publication Date	2011-09-09
	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	24	Open Access
	Notes				Approved	Most recent IF: 3.836; 2011 IF: 3.691
	Call Number	UA @ lucian @ c:irua:92327			Serial	2912
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	Author	Parente, A.; Gorlé, C.; van Beeck, J.; Benocci, C.
	Title	A comprehensive modelling approach for the neutral atmospheric boundary layer : consistent inflow conditions, wall function and turbulence model			Type	A1 Journal article
	Year	2011	Publication	Boundary-layer meteorology	Abbreviated Journal	Bound-Lay Meteorol
	Volume	140	Issue	3	Pages	411-428
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We report on a novel approach for the Reynolds-averaged Navier-Stokes (RANS) modelling of the neutral atmospheric boundary layer (ABL), using the standard k− turbulence model. A new inlet condition for turbulent kinetic energy is analytically derived from the solution of the k− model transport equations, resulting in a consistent set of fully developed inlet conditions for the neutral ABL. A modification of the standard k− model is also employed to ensure consistency between the inlet conditions and the turbulence model. In particular, the turbulence model constant C μ is generalized as a location-dependent parameter, and a source term is introduced in the transport equation for the turbulent dissipation rate. The application of the proposed methodology to cases involving obstacles in the flow is made possible through the implementation of an algorithm, which automatically switches the turbulence model formulation when going from the region where the ABL is undisturbed to the region directly affected by the building. Finally, the model is completed with a slightly modified version of the Richards and Hoxey rough-wall boundary condition. The methodology is implemented and tested in the commercial code Ansys Fluent 12.1. Results are presented for a neutral boundary layer over flat terrain and for the flow around a single building immersed in an ABL.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Dordrecht	Editor
	Language		Wos	000293923800004	Publication Date	2011-05-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0006-8314;1573-1472;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.573	Times cited	54	Open Access
	Notes				Approved	Most recent IF: 2.573; 2011 IF: 1.737
	Call Number	UA @ lucian @ c:irua:92341			Serial	450
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	Author	Chen, X.; Cao, S.; Ikeda, T.; Srivastava, V.; Snyder, G.J.; Schryvers, D.; James, R.D.
	Title	A weak compatibility condition for precipitation with application to the microstructure of PbTe-Sb₂Te₃ thermoelectrics			Type	A1 Journal article
	Year	2011	Publication	Acta materialia	Abbreviated Journal	Acta Mater
	Volume	59	Issue	15	Pages	6124-6132
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	We propose a weak condition of compatibility between phases applicable to cases exhibiting full or partial coherence and Widmanstätten microstructure. The condition is applied to the study of Sb2Te3 precipitates in a PbTe matrix in a thermoelectric alloy. The weak condition of compatibility predicts elongated precipitates lying on a cone determined by a transformation stretch tensor. Comparison of this cone with the long directions of precipitates determined by a slice-and-view method of scanning electron microscopy combined with focused ion beam sectioning shows good agreement between theory and experiment. A further study of the morphology of precipitates by the Eshelby method suggests that interfacial energy also plays a role and gives an approximate value of interfacial energy per unit area of 250 dyn cm−1.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000294086900026	Publication Date	2011-07-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-6454;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.301	Times cited	8	Open Access
	Notes				Approved	Most recent IF: 5.301; 2011 IF: 3.755
	Call Number	UA @ lucian @ c:irua:92388			Serial	3911
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	Author	Klimczuk, T.; Wang, C.H.; Lawrence, J.M.; Xu, Q.; Durakiewicz, T.; Ronning, F.; Llobet, A.; Trouw, F.; Kurita, N.; Tokiwa, Y.; Lee, H.o.; Booth, C.H.; Gardner, J.S.; Bauer, E.D.; Joyce, J.J.; Zandbergen, H.W.; Movshovich, R.; Cava, R.J.; Thompson, J.D.;
	Title	Crystal fields, disorder, and antiferromagnetic short-range order in Yb_0.24Sn_0.76Ru			Type	A1 Journal article
	Year	2011	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	84	Issue	7	Pages	075152-075152,8
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We report extensive measurements on a new compound (Yb0.24Sn0.76)Ru that crystallizes in the cubic CsCl structure. Valence-band photoemission (PES) and L3 x-ray absorption show no divalent component in the 4f configuration of Yb. Inelastic neutron scattering (INS) indicates that the eight-fold degenerate J-multiplet of Yb3+ is split by the crystalline electric field (CEF) into a Γ7-doublet ground state and a Γ8 quartet at an excitation energy 20 meV. The magnetic susceptibility can be fit very well by this CEF scheme under the assumption that a Γ6-excited state resides at 32 meV; however, the Γ8/Γ6 transition expected at 12 meV was not observed in the INS. The resistivity follows a Bloch-Grüneisen law shunted by a parallel resistor, as is typical of systems subject to phonon scattering with no apparent magnetic scattering. All of these properties can be understood as representing simple local moment behavior of the trivalent Yb ion. At 1 K there is a peak in specific heat that is too broad to represent a magnetic-phase transition, consistent with absence of magnetic reflections in neutron diffraction. On the other hand this peak also is too narrow to represent the Kondo effect in the Γ7-doublet ground state. On the basis of the field dependence of the specific heat, we argue that antiferromagnetic (AF) short-range order (SRO) (possibly coexisting with Kondo physics) occurs at low temperatures. The long-range magnetic order is suppressed because the Yb site occupancy is below the percolation threshold for this disordered compound.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000293830800003	Publication Date	2011-08-15
	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	8	Open Access
	Notes	Esteem 026019			Approved	Most recent IF: 3.836; 2011 IF: 3.691
	Call Number	UA @ lucian @ c:irua:92427			Serial	555
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	Author	Shestakov, M.V.; Tikhomirov, V.K.; Kirilenko, D.; Kuznetsov, A.S.; Chibotaru, L.F.; Baranov, A.N.; Van Tendeloo, G.; Moshchalkov, V.V.
	Title	Quantum cutting in Li (770 nm) and Yb (1000 nm) co-dopant emission bands by energy transfer from the ZnO nano-crystalline host			Type	A1 Journal article
	Year	2011	Publication	Optics express	Abbreviated Journal	Opt Express
	Volume	19	Issue	17	Pages	15955-15964
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Li-Yb co-doped nano-crystalline ZnO has been synthesized by a method of thermal growth from the salt mixtures. X-ray diffraction, transmission electron microscopy, atomic absorption spectroscopy and optical spectroscopy confirm the doping and indicate that the dopants may form Li-Li and Yb3+-Li based nanoclusters. When pumped into the conduction and exciton absorption bands of ZnO between 250 to 425 nm, broad emission bands of about 100 nm half-height-width are excited around 770 and 1000 nm, due to Li and Yb dopants, respectively. These emission bands are activated by energy transfer from the ZnO host mostly by quantum cutting processes, which generate pairs of quanta in Li (770 nm) and Yb (1000 nm) emission bands, respectively, out of one quantum absorbed by the ZnO host. These quantum cutting phenomena have great potential for application in the down-conversion layers coupled to the Si solar cells.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000293894900033	Publication Date	2011-08-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1094-4087;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.307	Times cited	19	Open Access
	Notes	FWO; Methusalem			Approved	Most recent IF: 3.307; 2011 IF: 3.587
	Call Number	UA @ lucian @ c:irua:92428			Serial	2776
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	Author	Leroux, O.; Leroux, F.; Bagniewska-Zadworna,.; Knox, J.P.; Claeys, M.; Bals, S.; Viane, R.L.L.
	Title	Ultrastructure and composition of cell wall appositions in the roots of Asplenium (Polypodiales)			Type	A1 Journal article
	Year	2011	Publication	Micron	Abbreviated Journal	Micron
	Volume	42	Issue	8	Pages	863-870
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Cell wall appositions (CWAs), formed by the deposition of extra wall material at the contact site with microbial organisms, are an integral part of the response of plants to microbial challenge. Detailed histological studies of CWAs in fern roots do not exist. Using light and electron microscopy we examined the (ultra)structure of CWAs in the outer layers of roots of Asplenium species. All cell walls studded with CWAs were impregnated with yellow-brown pigments. CWAs had different shapes, ranging from warts to elongated branched structures, as observed with scanning and transmission electron microscopy. Ultrastructural study further showed that infecting fungi grow intramurally and that they are immobilized by CWAs when attempting to penetrate intracellularly. Immunolabelling experiments using monoclonal antibodies indicated pectic homogalacturonan, xyloglucan, mannan and cellulose in the CWAs, but tests for lignins and callose were negative. We conclude that these appositions are defense-related structures made of a non-lignified polysaccharide matrix on which phenolic compounds are deposited in order to create a barrier protecting the root against infections.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000294942600013	Publication Date	2011-06-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0968-4328;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.98	Times cited	20	Open Access
	Notes	Fwo			Approved	Most recent IF: 1.98; 2011 IF: 1.527
	Call Number	UA @ lucian @ c:irua:92540			Serial	3798
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	Author	He, Z.; Lee, C.S.; Maurice, J.-L.; Pribat, D.; Haghi-Ashtiani, P.; Cojocaru, C.S.
	Title	Vertically oriented nickel nanorod/carbon nanofiber core/shell structures synthesized by plasma-enhanced chemical vapor deposition			Type	A1 Journal article
	Year	2011	Publication	Carbon	Abbreviated Journal	Carbon
	Volume	49	Issue	14	Pages	4710-4718
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Plasma-enhanced chemical vapor deposition, without a nickel-containing gaseous precursor, was used to synthesize continuous nickel (Ni) nanorods inside the hollow cavity of carbon nanofibers (CNFs), thus forming vertically aligned Ni/CNF core/shell structures. Scanning and transmission electron microscopic images indicate that the elongated Ni nanorods originate from the catalyst particles at the tips of the CNFs and that their formation is due to the effect of extrusion induced by the compressive force of the graphene layers during growth. Different from previous work, each vertically-aligned core/shell structure reported is totally isolated from its neighbors. Continuous Ni nanorods are found to separate into smaller ones with increasing growth time, which was ascribed to (i) the limited amount of Ni available in the tip of the CNF, (ii) the polycrystalline nature of the Ni nanorods and (iii) the combined effects of the compressive stresses on the side of the Ni nanorods and of the tensile stress along their axis.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000295308300010	Publication Date	2011-06-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0008-6223;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.337	Times cited	16	Open Access
	Notes				Approved	Most recent IF: 6.337; 2011 IF: 5.378
	Call Number	UA @ lucian @ c:irua:92782			Serial	3841
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	Author	Kazakov, S.M.; Abakumov, A.M.; Perz-Mato, J.M.; Ovchinnikov, A.V.; Roslova, M.V.; Boltalin, A.I.; Morozov, I.V.; Antipov, E.V.; Van Tendeloo, G.
	Title	Uniform patterns of Fe-vacancy ordering in the K_x(Fe,Co)_2-ySe₂ superconductors			Type	A1 Journal article
	Year	2011	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	23	Issue	19	Pages	4311-4316
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The Fe-vacancy ordering patterns in the superconducting KxFe2ySe2 and nonsuperconducting Kx(Fe,Co)2ySe2 samples have been investigated by electron diffraction and high angle annular dark field scanning transmission electron microscopy. The Fe-vacancy ordering occurs in the ab plane of the parent ThCr2Si2-type structure, demonstrating two types of patterns. Superstructure I retains the tetragonal symmetry and can be described with the aI = bI = as√5 (as is the unit cell parameter of the parent ThCr2Si2-type structure) supercell and I4/m space group. Superstructure II reduces the symmetry to orthorhombic with the aII = as√2, bII = 2as√2 supercell and the Ibam space group. This type of superstructure is observed for the first time in KxFe2ySe2. The Fe-vacancy ordering is inhomogeneous: the disordered areas interleave with the superstructures I and II in the same crystallite. The observed superstructures represent the compositionally dependent uniform ordering patterns of two species (the Fe atoms and vacancies) on a square lattice. More complex uniform ordered configurations, including compositional stripes, can be predicted for different chemical compositions of the KxFe2ySe2 (0 < y < 0.5) solid solutions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000295487800005	Publication Date	2011-09-13
	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	20	Open Access
	Notes				Approved	Most recent IF: 9.466; 2011 IF: 7.286
	Call Number	UA @ lucian @ c:irua:92805			Serial	3810
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	Author	Guda, A.A.; Smolentsev, N.; Verbeeck, J.; Kaidashev, E.M.; Zubavichus, Y.; Kravtsova, A.N.; Polozhentsev, O.E.; Soldatov, A.V.
	Title	X-ray and electron spectroscopy investigation of the coreshell nanowires of ZnO:Mn			Type	A1 Journal article
	Year	2011	Publication	Solid state communications	Abbreviated Journal	Solid State Commun
	Volume	151	Issue	19	Pages	1314-1317
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	ZnO/ZnO:Mn coreshell nanowires were studied by means of X-ray absorption spectroscopy of the Mn K- and L2,3-edges and electron energy loss spectroscopy of the O K-edge. The combination of conventional X-ray and nanofocused electron spectroscopies together with advanced theoretical analysis turned out to be fruitful for the clear identification of the Mn phase in the volume of the coreshell structures. Theoretical simulations of spectra, performed using the full-potential linear augmented plane wave approach, confirm that the shell of the nanowires, grown by the pulsed laser deposition method, is a real dilute magnetic semiconductor with Mn2+ atoms at the Zn sites, while the core is pure ZnO.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000295492200003	Publication Date	2011-06-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0038-1098;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.554	Times cited	12	Open Access
	Notes	We acknowledge the Helmholtz-Zentrum Berlin – Electron storage ring BESSY-II for provision of synchrotron radiation at the Russian-German beamline and financial support. This research was supported by the Russian Ministry to education and science (RPN 2.1.1. 5932 grant and RPN 2.1.1.6758 grant). N.S. and A.G. would like to thank the Russian Ministry of Education for providing the fellowships of President of Russian Federation to study abroad. We would like to thank the UGINFO computer center of Southern federal university for providing the computer time.			Approved	Most recent IF: 1.554; 2011 IF: 1.649
	Call Number	UA @ lucian @ c:irua:92831			Serial	3925
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	Author	Wang, W.-C.
	Title	Quantitative analysis of electron exit waves with single atom sensitivity			Type	Doctoral thesis
	Year	2011	Publication		Abbreviated Journal
	Volume		Issue		Pages
	Keywords	Doctoral thesis; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Antwerpen	Editor
	Language		Wos		Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:93201			Serial	2745
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	Author	Wang, B.
	Title	TEM study of plasticity mechanisms in metals : nanocrystalline Al Pd thin films and bulk bcc Nb			Type	Doctoral thesis
	Year	2011	Publication		Abbreviated Journal
	Volume		Issue		Pages
	Keywords	Doctoral thesis; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Antwerpen	Editor
	Language		Wos		Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:93202			Serial	3491
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	Author	Fang, C.M.; van Huis, M.A.; Zandbergen, H.W.
	Title	Stability and structures of the CFCC-TmC phases : a first-principles study			Type	A1 Journal article
	Year	2012	Publication	Computational materials science	Abbreviated Journal	Comp Mater Sci
	Volume	51	Issue	1	Pages	146-150
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The η-M6C, γ-M23C6, and π-M11C2 phases (M = Cr, Mn and Fe) have complex cubic lattices with lattice parameters of approximately 1.0 nm. They belong to the CFCC-TmC family (complex face-centered cubic transition metal carbides), display a rich variety of crystal structures, and play in important role in iron alloys and steels. Here we show that first-principles calculations predict high stability for the γ-M23C6 and η-M6C phases, and instability for the π-M11C2 phases, taking into account various compositional and structural possibilities. The calculations also show a wide variety in magnetic properties. The Cr-containing phases were found to be non-magnetic and the Fe-phases to be ferromagnetic, while the Mn-containing phases were found to be either ferrimagnetic or non-magnetic. Details of the local atomic structures, and the formation and stability of these precipitates in alloys are discussed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000296214300020	Publication Date	2011-08-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0927-0256;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.292	Times cited	18	Open Access
	Notes				Approved	Most recent IF: 2.292; 2012 IF: 1.878
	Call Number	UA @ lucian @ c:irua:93277			Serial	3119
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	Author	Sébilleau, D.; Natoli, C.; Gavaza, G.M.; Zhao, H.; da Pieve, F.; Hatada, K.
	Title	MsSpec-1.0 : a multiple scattering package for electron spectroscopies in material science			Type	A1 Journal article
	Year	2011	Publication	Computer physics communications	Abbreviated Journal	Comput Phys Commun
	Volume	182	Issue	12	Pages	2567-2579
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We present a multiple scattering package to calculate the cross-section of various spectroscopies namely photoelectron diffraction (PED), Auger electron diffraction (AED), X-ray absorption (XAS), low-energy electron diffraction (LEED) and Auger photoelectron coincidence spectroscopy (APECS). This package is composed of three main codes, computing respectively the cluster, the potential and the cross-section. In the latter case, in order to cover a range of energies as wide as possible, three different algorithms are provided to perform the multiple scattering calculation: full matrix inversion, series expansion or correlation expansion of the multiple scattering matrix. Numerous other small Fortran codes or bash/csh shell scripts are also provided to perform specific tasks. The cross-section code is built by the user from a library of subroutines using a makefile.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000295769700014	Publication Date	2011-07-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0010-4655;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.936	Times cited	6	Open Access
	Notes				Approved	Most recent IF: 3.936; 2011 IF: 3.268
	Call Number	UA @ lucian @ c:irua:93288			Serial	2208
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	Author	Talgorn, E.; Gao, Y.; Aerts, M.; Kunneman, L.T.; Schins, J.M.; Savenije, T.J.; van Huis, M.A.; van der Zant, H.S.J.; Houtepen, A.J.; Siebbeles, L.D.A.
	Title	Unity quantum yield of photogenerated charges and band-like transport in quantum-dot solids			Type	A1 Journal article
	Year	2011	Publication	Nature nanotechnology	Abbreviated Journal	Nat Nanotechnol
	Volume	6	Issue	11	Pages	733-739
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Solid films of colloidal quantum dots show promise in the manufacture of photodetectors and solar cells. These devices require high yields of photogenerated charges and high carrier mobilities, which are difficult to achieve in quantum-dot films owing to a strong electronhole interaction and quantum confinement. Here, we show that the quantum yield of photogenerated charges in strongly coupled PbSe quantum-dot films is unity over a large temperature range. At high photoexcitation density, a transition takes place from hopping between localized states to band-like transport. These strongly coupled quantum-dot films have electrical properties that approach those of crystalline bulk semiconductors, while retaining the size tunability and cheap processing properties of colloidal quantum dots.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000296737300012	Publication Date	2011-09-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1748-3387;1748-3395;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	38.986	Times cited	129	Open Access
	Notes				Approved	Most recent IF: 38.986; 2011 IF: 27.270
	Call Number	UA @ lucian @ c:irua:93296			Serial	3813
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	Author	Tirumalasetty, G.K.; van Huis, M.A.; Fang, C.M.; Xu, Q.; Tichelaar, F.D.; Hanlon, D.N.; Sietsma, J.; Zandbergen, H.W.
	Title	Characterization of NbC and (Nb, Ti)N nanoprecipitates in TRIP assisted multiphase steels			Type	A1 Journal article
	Year	2011	Publication	Acta materialia	Abbreviated Journal	Acta Mater
	Volume	59	Issue	19	Pages	7406-7415
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Multiphase steels utilising composite strengthening may be further strengthened via grain refinement or precipitation by the addition of microalloying elements. In this study a Nb microalloyed steel comprising martensite, bainite and retained austenite has been studied. By means of transmission electron microscopy (TEM) we have investigated the size distribution and the structural properties of (Nb, Ti)N and NbC precipitates, their occurrence in the various steel phases, and their relationship with the Fe matrix. (Nb, Ti)N precipitates were found in ferrite, martensite, and bainite, while NbC precipitates were found only in ferrite. All NbC precipitates were found to be small (520 nm in size) and to have a face centred cubic (fcc) crystal structure with lattice parameter a = 4.36 ± 0.05 Å. In contrast, the (Nb, Ti)N precipitates were found to have a broader size range (5150 nm) and to have a fcc crystal structure with lattice parameter a = 8.09 ± 0.05 Å. While the NbC precipitates were found to be randomly oriented, the (Nb, Ti)N precipitates have a well-defined NishiyamaWasserman orientation relationship with the ferrite matrix. An analysis of the lattice mismatch suggests that the latter precipitates have a high potential for effective strengthening. Density functional theory calculations were performed for various stoichiometries of NbCx and NbxTiyNz phases and the comparison with experimental data indicates that both the carbides and nitrides are deficient in C and N content.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000296405200026	Publication Date	2011-09-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-6454;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.301	Times cited	58	Open Access
	Notes				Approved	Most recent IF: 5.301; 2011 IF: 3.755
	Call Number	UA @ lucian @ c:irua:93297			Serial	328
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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	Esken, D.; Turner, S.; Wiktor, C.; Kalidindi, S.B.; Van Tendeloo, G.; Fischer, R.A.
	Title	GaN@ZIF-8 : selective formation of gallium nitride quantum dots inside a zinc methylimidazolate framework			Type	A1 Journal article
	Year	2011	Publication	Journal of the American Chemical Society	Abbreviated Journal	J Am Chem Soc
	Volume	133	Issue	41	Pages	16370-16373
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The microporous zeolitic imidazolate framework [Zn(MeIM)2; ZIF-8; MeIM = imidazolate-2-methyl] was quantitatively loaded with trimethylamine gallane [(CH3)3NGaH3]. The obtained inclusion compound [(CH3)3NGaH3]@ZIF-8 reveals three precursor molecules per host cavity. Treatment with ammonia selectively yields the caged cyclotrigallazane intermediate (H2GaNH2)3@ZIF-8, and further annealing gives GaN@ZIF-8. This new composite material was characterized with FT-IR spectroscopy, solid-state NMR spectroscopy, powder X-ray diffraction, elemental analysis, (scanning) transmission electron microscopy combined with electron energy-loss spectroscopy, photoluminescence (PL) spectroscopy, and N2 sorption measurements. The data give evidence for the presence of GaN nanoparticles (13 nm) embedded in the cavities of ZIF-8, including a blue-shift of the PL emission band caused by the quantum size effect.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000295997500014	Publication Date	2011-09-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0002-7863;1520-5126;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	13.858	Times cited	82	Open Access
	Notes	Hercules			Approved	Most recent IF: 13.858; 2011 IF: 9.907
	Call Number	UA @ lucian @ c:irua:93582			Serial	1315
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	Author	Amini, M.N.; Saniz, R.; Lamoen, D.; Partoens, B.
	Title	Hydrogen impurities and native defects in CdO			Type	A1 Journal article
	Year	2011	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	110	Issue	6	Pages	063521,1-063521,7
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	We have used first-principles calculations based on density functional theory to study point defects in CdO within the local density approximation and beyond (LDA+U). Hydrogen interstitials and oxygen vacancies are found to act as shallow donors and can be interpreted as the cause of conductivity in CdO. Hydrogen can also occupy an oxygen vacancy in its substitutional form and also acts as a shallow donor. Similar to what was found for ZnO and MgO, hydrogen creates a multicenter bond with its six oxygen neighbors in CdO. The charge neutrality level for native defects and hydrogen impurities has been calculated. It is shown that in the case of native defects, it is not uniquely defined. Indeed, this level depends highly on the chemical potentials of the species and one can obtain different values for different end states in the experiment. Therefore, a comparison with experiment can only be made if the chemical potentials of the species in the experiment are well defined. However, for the hydrogen interstitial defect, since this level is independent of the chemical potential of hydrogen, one can obtain a unique value for the charge neutrality level. We find that the Fermi level stabilizes at 0.43 eV above the conduction band minimum in the case of the hydrogen interstitial defect, which is in good agreement with the experimentally reported value of 0.4 eV.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000295619300041	Publication Date	2011-09-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	13	Open Access
	Notes	; The authors gratefully acknowledge financial support from the IWT-Vlaanderen through the ISIMADE project, the FWO-Vlaanderen through Project G.0191.08 and the BOF-NOI of the University of Antwerp. This work was carried out using the HPC infrastructure at the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC. ;			Approved	Most recent IF: 2.068; 2011 IF: 2.168
	Call Number	UA @ lucian @ c:irua:93613			Serial	1533
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