NANOlab Center of Excellence literature database -- Query Results

	NANOlab Center of Excellence literature database Home \| Show All \| Simple Search \| Advanced Search	Login Quick Search: Field: contains: ...
	91–120 of 381 records found matching your query (RSS \| history):

Select All Deselect All

<< 1 2 3 4 5 6 7 8 9 10 11 12 13 >>

List View

Citations

Details

	Records
	Author	Sun, M.; Rousse, G.; Abakumov, A.M.; Van Tendeloo, G.; Sougrati, M.-T.; Courty, M.; Doublet, M.-L.; Tarascon, J.-M.
	Title	An oxysulfate Fe₂O(SO₄)₂ electrode for sustainable Li-based batteries			Type	A1 Journal article
	Year	2014	Publication	Journal of the American Chemical Society	Abbreviated Journal	J Am Chem Soc
	Volume	136	Issue	36	Pages	12658-12666
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	High-performing Fe-based electrodes for Li-based batteries are eagerly pursued because of the abundance and environmental benignity of iron, with especially great interest in polyanionic compounds because of their flexibility in tuning the Fe3+/Fe2+ redox potential. We report herein the synthesis and structure of a new Fe-based oxysulfate phase, Fe2O(SO4)(2), made at low temperature from abundant elements, which electrochemically reacts with nearly 1.6 Li atoms at an average voltage of 3.0 V versus Li+/Li, leading to a sustained reversible capacity of similar to 125 mAh/g. The Li insertiondeinsertion process, the first ever reported in any oxysulfate, entails complex phase transformations associated with the position of iron within the FeO6 octahedra. This finding opens a new path worth exploring in the quest for new positive electrode materials.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000341544600029	Publication Date	2014-08-14
	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	11	Open Access
	Notes				Approved	Most recent IF: 13.858; 2014 IF: 12.113
	Call Number	UA @ lucian @ c:irua:119906			Serial	96
Permanent link to this record



	Author	Gonnissen, J.; de Backer, A.; den Dekker, A.J.; Martinez, G.T.; Rosenauer, A.; Sijbers, J.; Van Aert, S.
	Title	Optimal experimental design for the detection of light atoms from high-resolution scanning transmission electron microscopy images			Type	A1 Journal article
	Year	2014	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	105	Issue	6	Pages	063116
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	We report an innovative method to explore the optimal experimental settings to detect light atoms from scanning transmission electron microscopy (STEM) images. Since light elements play a key role in many technologically important materials, such as lithium-battery devices or hydrogen storage applications, much effort has been made to optimize the STEM technique in order to detect light elements. Therefore, classical performance criteria, such as contrast or signal-to-noise ratio, are often discussed hereby aiming at improvements of the direct visual interpretability. However, when images are interpreted quantitatively, one needs an alternative criterion, which we derive based on statistical detection theory. Using realistic simulations of technologically important materials, we demonstrate the benefits of the proposed method and compare the results with existing approaches.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000341188700073	Publication Date	2014-08-14
	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	12	Open Access
	Notes	FWO (G.0393.11; G.0064.10; and G.0374.13); European Union Seventh Framework Programme [FP7/2007-2013] under Grant Agreement No. 312483 (ESTEEM2); esteem2_jra2			Approved	Most recent IF: 3.411; 2014 IF: 3.302
	Call Number	UA @ lucian @ c:irua:118333			Serial	2482
Permanent link to this record



	Author	Bals, S.; Goris, B.; Liz-Marzan, L.M.; Van Tendeloo, G.
	Title	Three-dimensional characterization of noble-metal nanoparticles and their assemblies by electron tomography			Type	A1 Journal article
	Year	2014	Publication	Angewandte Chemie: international edition in English	Abbreviated Journal	Angew Chem Int Edit
	Volume	53	Issue	40	Pages	10600-10610
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	New developments in the field of nanomaterials drive the need for quantitative characterization techniques that yield information down to the atomic scale. In this Review, we focus on the three-dimensional investigations of metal nanoparticles and their assemblies by electron tomography. This technique has become a versatile tool to understand the connection between the properties and structure or composition of nanomaterials. The different steps of an electron tomography experiment are discussed and we show how quantitative three-dimensional information can be obtained even at the atomic scale.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000342761500006	Publication Date	2014-08-11
	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	58	Open Access	OpenAccess
	Notes	267867 Plasmaquo; 246791 Countatoms; 335078 Colouratom; 262348 Esmi; Fwo; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot);			Approved	Most recent IF: 11.994; 2014 IF: 11.261
	Call Number	UA @ lucian @ c:irua:121093			Serial	3646
Permanent link to this record



	Author	Espinoza Torres, C.; Condó, A.M.; Haberkorn, N.; Zelaya, E.; Schryvers, D.; Guimpel, J.; Lovey, F.C.
	Title	Structures in textured Cu-Al-Ni shape memory thin films grown by sputtering			Type	A1 Journal article
	Year	2014	Publication	Materials characterization	Abbreviated Journal	Mater Charact
	Volume	96	Issue		Pages	256-262
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The structure and texture formation in CuAlNi thin films of different thicknesses (1 μm to 5 μm) grown by DC magnetron sputtering without any intentional heating of the substrate are reported. The as-grown films present grains with an average size of 20 nm. The films with thickness of 1 μm have a single metastable phase with a hexagonal structure and are textured with planes (0002) parallel to the plane of the films. It was observed that thicker films present phase coexistence between metastable hexagonal and body centered cubic structures with a gradual increment of the body centered cubic phase fraction. The films with thickness of 5 μm are textured with planes (0002) and View the MathML source101¯0 in the hexagonal structure, whereas in the body centered cubic structure the films are textured with {110} planes parallel to the plane of the films. This fact can be associated with self-heating of the substrate during the growth of the films and with the relative stability of the metastable phases. Free standing films annealed in a second step (1123 K for 1 h) present austenitic phase with L21 structure and sub-micrometric grains textured with {220}L21 planes parallel to the plane of the films. The martensitic transformation temperature was determined from the analysis of resistance against temperature measurements.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York	Editor
	Language		Wos	000343346400032	Publication Date	2014-08-10
	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	9	Open Access
	Notes	(CONICET PIP 11220090100457) and MINCYT-FWO International Exchange Project FW/09/03 is also acknowledged			Approved	Most recent IF: 2.714; 2014 IF: 1.845
	Call Number	UA @ lucian @ c:irua:118931			Serial	3321
Permanent link to this record



	Author	Walter, A.L.; Sahin, H.; Jeon, K.J.; Bostwick, A.; Horzum, S.; Koch, R.; Speck, F.; Ostler, M.; Nagel, P.; Merz, M.; Schupler, S.; Moreschini, L.; Chang, Y.J.; Seyller, T.; Peeters, F.M.; Horn, K.; Rotenberg, E.;
	Title	Luminescence, patterned metallic regions, and photon-mediated electronic changes in single-sided fluorinated graphene sheets			Type	A1 Journal article
	Year	2014	Publication	ACS nano	Abbreviated Journal	Acs Nano
	Volume	8	Issue	8	Pages	7801-7808
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	Single-sided fluorination has been predicted to open an electronic band gap in graphene and to exhibit unique electronic and magnetic properties; however, this has not been substantiated by experimental reports. Our comprehensive experimental and theoretical study of this material on a SiC(0001) substrate shows that single-sided fluorographene exhibits two phases, a stable one with a band gap of similar to 6 eV and a metastable one, induced by UV irradiation, with a band gap of similar to 2.5 eV. The metastable structure, which reverts to the stable “ground-state” phase upon annealing under emission of blue light, in our view is induced by defect states, based on the observation of a nondispersive electronic state at the top of the valence band, not unlike that found in organic molecular layers. Our structural data show that the stable C2F ground state has a “boat” structure, in agreement with our X-ray magnetic circular dichroism data, which show the absence of an ordered magnetic phase. A high flux of UV or X-ray photons removes the fluorine atoms, demonstrating the possibility of lithographically patterning conducting regions into an otherwise semiconducting 2D material.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000340992300025	Publication Date	2014-08-09
	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	23	Open Access
	Notes				Approved	Most recent IF: 13.942; 2014 IF: 12.881
	Call Number	UA @ lucian @ c:irua:119263			Serial	1857
Permanent link to this record



	Author	Macke, S.; Radi, A.; Hamann-Borrero, J.E.; Verna, A.; Bluschke, M.; Brück, S.; Goering, E.; Sutarto, R.; He, F.; Cristiani, G.; Wu, M.; Benckiser, E.; Habermeier, H.-U.; Logvenov, G.; Gauquelin, N.; Botton, G.A; Kajdos, A.P.; Stemmer, S.; Sawatzky,G.A.; Haverkort, M.W.; Keimer, B.; Hinkov, V.
	Title	Element Specific Monolayer Depth Profiling			Type	A1 Journal Article
	Year	2014	Publication	Advanced Materials	Abbreviated Journal	Adv Mater
	Volume	26	Issue	38	Pages	6554-6559
	Keywords	A1 Journal Article; Electron Microscopy for Materials Science (EMAT)
	Abstract	The electronic phase behavior and functionality of interfaces and surfaces in complex materials are strongly correlated to chemical composition profiles, stoichiometry and intermixing. Here a novel analysis scheme for resonant X-ray reflectivity maps is introduced to determine such profiles, which is element specific and non-destructive, and which exhibits atomic-layer resolution and a probing depth of hundreds of nanometers.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000343763200004	Publication Date	2014-08-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1521-4095	ISBN		Additional Links
	Impact Factor	19.791	Times cited	34	Open Access
	Notes				Approved	Most recent IF: 19.791; 2014 IF: NA
	Call Number	EMAT @ emat @			Serial	4541
Permanent link to this record



	Author	Dekov, V.M.; Vanlierde, E.; Billström, K.; Gatto Rotondo, G.; van Meel, K.; Darchuk, L.; Van Grieken, R.; et al.
	Title	Ferrihydrite precipitation in groundwater-fed river systems (Nete and Demer river basins, Belgium) : insights from a combined Fe-Zn-Sr-Nd-Pb-isotope study			Type	A1 Journal article
	Year	2014	Publication	Chemical geology	Abbreviated Journal
	Volume	386	Issue		Pages	1-15
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Two groundwater-fed river systems (Nete and Demer, Belgium) carry red suspended material that settles on the river bed forming red sediments. The local aquifer that feeds these river systems is a glauconite-rich sand, which provides most of the dissolved Fe to the rivers. The solid component of these systems, i.e., the red suspended material and sediments, has a simple mineralogy (predominantly ferrihydrite), but shows a complex geochemistry pointing out the different processes contributing to the river chemistry: (1) the red sediments have higher transition metal (excluding Cu) and detrital element (e.g., Si, Al, K, Rb, etc.) concentrations than the red suspended matter because of their longer residence time in the river and higher contribution of the background (aquifer) component, respectively; (2) the red suspended material and sediments have inherited their rare earth element (REE) patterns from the aquifer; (3) the origin of Sr present in the red suspended matter and red sediments is predominantly marine (i.e., Quaternary calcareous rocks), but a small amount is geogenic (i.e., from detrital rocks); (4) Pb in both solids originates mostly from anthropogenic and geogenic sources; (5) all of the anthropogenic Pb in the red suspended material and sediments is hosted by the ferrihydrite; (6) Nd budget of the red riverine samples is controlled by the geogenic source and shows little anthropogenic component; (7) the significant Fe- and Zn-isotope fractionations are in line with the previous studies. Their fractionation patterns do not correlate, suggesting that the processes controlling the isotope geochemistry of Fe and Zn are different: oxidation/reduction most likely governs the Fe-isotope fractionation, whereas adsorption/desorption or admixing of anthropogenic sources controls the isotope fractionation of Zn.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000345441000001	Publication Date	2014-08-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2541	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:118323			Serial	7962
Permanent link to this record



	Author	Berdiyorov, G.; Harrabi, K.; Oktasendra, F.; Gasmi, K.; Mansour, A.I.; Maneval, J.P.; Peeters, F.M.
	Title	Dynamics of current-driven phase-slip centers in superconducting strips			Type	A1 Journal article
	Year	2014	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	90	Issue	5	Pages	054506
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Phase-slip centers/lines and hot spots are the main mechanisms for dissipation in current-carrying superconducting thin films. The pulsed-current method has recently been shown to be an effective tool in studying the dynamics of phase-slip centers and their evolution to hot spots. We use the time-dependent Ginzburg-Landau theory in the study of the dynamics of the superconducting condensate in superconducting strips under external current and zero external magnetic field. We show that both the flux-flow state (i.e., slow-moving vortices) and the phase-slip line state (i.e., fast-moving vortices) are dynamically stable dissipative units with temperature smaller than the critical one, whereas hot spots, which are localized normal regions where the local temperature exceeds the critical value, expand in time, resulting ultimately in a complete destruction of the condensate. The response time of the system to abrupt switching on of the overcritical current decreases with increasing both the value of the current (at all temperatures) and temperature (for a given value of the applied current). Our results are in good qualitative agreement with experiments we have conducted on Nb thin strips.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000344656700003	Publication Date	2014-08-08
	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	42	Open Access
	Notes	; This work was supported by EU Marie Curie Project No. 253057, the Flemish Science Foundation (FWO-Vl), and King Fahd University of Petroleum and Minerals, Saudi Arabia, under the IN131034 DSR project. ;			Approved	Most recent IF: 3.836; 2014 IF: 3.736
	Call Number	UA @ lucian @ c:irua:121229			Serial	775
Permanent link to this record



	Author	Adam, N.; Leroux, F.; Knapen, D.; Bals, S.; Blust, R.
	Title	The uptake of ZnO and CuO nanoparticles in the water-flea Daphnia magna under acute exposure scenarios			Type	A1 Journal article
	Year	2014	Publication	Environmental pollution	Abbreviated Journal	Environ Pollut
	Volume	194	Issue		Pages	130-137
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Veterinary physiology and biochemistry
	Abstract	In this study the uptake of ZnO and CuO nanoparticles by Daphnia magna was tested. Daphnids were exposed during 48 h to acute concentrations of the nanoparticles and corresponding metal salts. The Daphnia zinc and copper concentration was measured and the nanoparticles were localized using electron microscopy. The aggregation and dissolution in the medium was characterized. A fast dissolution of ZnO in the medium was observed, while most CuO formed large aggregates and only a small fraction dissolved. The Daphnia zinc concentration was comparable for the nanoparticles and salts. Contrarily, a much higher Daphnia copper concentration was observed in the CuO exposure, compared to the copper salt. CuO nanoparticles adsorbed onto the carapace and occurred in the gut but did not internalize in the tissues. The combined dissolution and uptake results indicate that the toxicity of both nanoparticle types was caused by metal ions dissolved from the particles in the medium.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000342530800016	Publication Date	2014-08-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0269-7491;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.099	Times cited	45	Open Access	Not_Open_Access
	Notes	; We would like to thank Valentine Mubiana and Steven Joosen (Sphere, UA) for performing the ICP-OES and ICP-MS measurements and Prof. Dr. Gustaaf Van Tendeloo for making the collaboration between the EMAT and Sphere group possible. Additional thanks go to the European Commission for funding this work through the project ENNSATOX (NMP4-SL-2009-229244). ;			Approved	Most recent IF: 5.099; 2014 IF: 4.143
	Call Number	UA @ lucian @ c:irua:118326			Serial	3823
Permanent link to this record



	Author	Mordvinova, N.; Emelin, P.; Vinokurov, A.; Dorofeev, S.; Abakumov, A.; Kuznetsova, T.
	Title	Surface processes during purification of InP quantum dots			Type	A1 Journal article
	Year	2014	Publication	Beilstein journal of nanotechnology	Abbreviated Journal	Beilstein J Nanotech
	Volume	5	Issue		Pages	1220-1225
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Recently, a new simple and fast method for the synthesis of InP quantum dots by using phosphine as phosphorous precursor and myristic acid as surface stabilizer was reported. Purification after synthesis is necessary to obtain samples with good optical properties. Two methods of purification were compared and the surface processes which occur during purification were studied. Traditional precipitation with acetone is accompanied by a small increase in photoluminescence. It occurs that during the purification the hydrolysis of the indium precursor takes place, which leads to a better surface passivation. The electrophoretic purification technique does not increase luminescence efficiency but yields very pure quantum dots in only a few minutes. Additionally, the formation of In(OH)(3) during the low temperature synthesis was explained. Purification of quantum dots is a very significant part of post-synthetical treatment that determines the properties of the material. But this subject is not sufficiently discussed in the literature. The paper is devoted to the processes that occur at the surface of quantum dots during purification. A new method of purification, electrophoresis, is investigated and described in particular.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000339912400002	Publication Date	2014-08-06
	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	5	Open Access
	Notes				Approved	Most recent IF: 3.127; 2014 IF: 2.670
	Call Number	UA @ lucian @ c:irua:118748			Serial	3397
Permanent link to this record



	Author	Neek-Amal, M.; Xu, P.; Qi, D.; Thibado, P.M.; Nyakiti, L.O.; Wheeler, V.D.; Myers-Ward, R.L.; Eddy, C.R.; Gaskill, D.K.; Peeters, F.M.
	Title	Membrane amplitude and triaxial stress in twisted bilayer graphene deciphered using first-principles directed elasticity theory and scanning tunneling microscopy			Type	A1 Journal article
	Year	2014	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	90	Issue	6	Pages	064101
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Twisted graphene layers produce a moire pattern (MP) structure with a predetermined wavelength for a given twist angle. However, predicting the membrane corrugation amplitude for any angle other than pure AB-stacked or AA-stacked graphene is impossible using first-principles density functional theory (DFT) due to the large supercell. Here, within elasticity theory, we define the MP structure as the minimum-energy configuration, thereby leaving the height amplitude as the only unknown parameter. The latter is determined from DFT calculations for AB-and AA-stacked bilayer graphene in order to eliminate all fitting parameters. Excellent agreement with scanning tunneling microscopy results across multiple substrates is reported as a function of twist angle.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000339995800001	Publication Date	2014-08-01
	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	12	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. M.N.-A. was supported by the EU-Marie Curie IIF postdoctoral Fellowship No. 299855. P.M.T. is thankful for the financial support of the Office of Naval Research under Grant No. N00014-10-1-0181 and the National Science Foundation under Grant No. DMR-0855358. L.O.N. acknowledges the support of the American Society for Engineering Education and Naval Research Laboratory Postdoctoral Fellow Program. Work at the US Naval Research Laboratory is supported by the Office of Naval Research. ;			Approved	Most recent IF: 3.836; 2014 IF: 3.736
	Call Number	UA @ lucian @ c:irua:118774			Serial	1991
Permanent link to this record



	Author	Zha, G.-Q.; Covaci, L.; Peeters, F.M.; Zhou, S.-P.
	Title	Majorana fermion states and fractional flux periodicity in mesoscopic d-wave superconducting loops with spin-orbit interaction			Type	A1 Journal article
	Year	2014	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	90	Issue	1	Pages	014522
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We numerically investigate the spin-orbit (SO) coupling effect on the magnetic flux evolution of energy and supercurrent in mesoscopic d-wave superconducting loops by solving the spin-generalized Bogoliubov-de Gennes equations self-consistently. It is found that the energy spectrum splits when the SO interaction is involved and the Majorana zero mode can be realized in the [100] edges of square systems for an appropriate SO coupling strength. Superconducting phase transitions appear when the energy gap closes, accompanied by energy jumps between different energy parabolas in the ground state, which provides a possible mechanism to support fractional flux periodicity of supercurrent. Moreover, in the case of rectangular loops with SO coupling, the jumps of the ground-state energy gradually disappear by increasing the ratio of length to height of the sample, and a paramagnetic response with opposite direction of the screening current around zero flux value can occur in such systems.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000341233800010	Publication Date	2014-07-31
	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	; This work was supported by National Natural Science Foundation of China under Grants No. 61371020 and No. 61271163, by Visiting Scholar Program of Shanghai Municipal Education Commission, by Innovation Program of Shanghai Municipal Education Commission under Grant No. 13YZ006, and by the Flemish Science Foundation (FWO-Vl). ;			Approved	Most recent IF: 3.836; 2014 IF: 3.736
	Call Number	UA @ lucian @ c:irua:119266			Serial	1938
Permanent link to this record



	Author	Duarte-Neto, P.; Stosic, T.; Stosic, B.; Lessa, R.; Milošević, M.V.
	Title	Interplay of model ingredients affecting aggregate shape plasticity in diffusion-limited aggregation			Type	A1 Journal article
	Year	2014	Publication	Physical review : E : statistical, nonlinear, and soft matter physics	Abbreviated Journal	Phys Rev E
	Volume	90	Issue	1	Pages	012312
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We analyze the combined effect of three ingredients of an aggregation model-surface tension, particle flow and particle source-representing typical characteristics of many aggregation growth processes in nature. Through extensive numerical experiments and for different underlying lattice structures we demonstrate that the location of incoming particles and their preferential direction of flow can significantly affect the resulting general shape of the aggregate, while the surface tension controls the surface roughness. Combining all three ingredients increases the aggregate shape plasticity, yielding a wider spectrum of shapes as compared to earlier works that analyzed these ingredients separately. Our results indicate that the considered combination of effects is fundamental for modeling the polymorphic growth of a wide variety of structures in confined geometries and/or in the presence of external fields, such as rocks, crystals, corals, and biominerals.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	Woodbury (NY)	Editor
	Language		Wos	000341245400009	Publication Date	2014-07-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1539-3755;1550-2376;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.366	Times cited	3	Open Access
	Notes	; This work was supported by CNPq, Brazil (Projects No. 201506/2011-4, No. 303251 /2010-7, and No. 306719/2012-6). M.V.M. acknowledges support from Flemish Science Foundation (FWO-Vlaanderen) and CAPES PVE action No. BEX1392/11-5. The crystal structure appearing in Fig. 11 was provided courtesy of L. dos Santos, UFPE, Brazil. ;			Approved	Most recent IF: 2.366; 2014 IF: 2.288
	Call Number	UA @ lucian @ c:irua:119267			Serial	1708
Permanent link to this record



	Author	Verhulst, A.S.; Verreck, D.; Pourghaderi, M.A.; Van de Put, M.; Sorée, B.; Groeseneken, G.; Collaert, N.; Thean, A.V.-Y.
	Title	Can p-channel tunnel field-effect transistors perform as good as n-channel?			Type	A1 Journal article
	Year	2014	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	105	Issue	4	Pages	043103
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We show that bulk semiconductor materials do not allow perfectly complementary p- and n-channel tunnel field-effect transistors (TFETs), due to the presence of a heavy-hole band. When tunneling in p-TFETs is oriented towards the gate-dielectric, field-induced quantum confinement results in a highest-energy subband which is heavy-hole like. In direct-bandgap IIIV materials, the most promising TFET materials, phonon-assisted tunneling to this subband degrades the subthreshold swing and leads to at least 10x smaller on-current than the desired ballistic on-current. This is demonstrated with quantum-mechanical predictions for p-TFETs with tunneling orthogonal to the gate, made out of InP, In0.53Ga0.47As, InAs, and a modified version of In0.53Ga0.47As with an artificially increased conduction-band density-of-states. We further show that even if the phonon-assisted current would be negligible, the build-up of a heavy-hole-based inversion layer prevents efficient ballistic tunneling, especially at low supply voltages. For p-TFET, a strongly confined n-i-p or n-p-i-p configuration is therefore recommended, as well as a tensily strained line-tunneling configuration. (C) 2014 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000341152600067	Publication Date	2014-07-30
	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	8	Open Access
	Notes	; This work was supported by imec's industrial application program. D. Verreck acknowledges the support of a Ph.D. stipend from the Institute for Promotion of Innovation through Science and Technology in Flanders (IWT). ;			Approved	Most recent IF: 3.411; 2014 IF: 3.302
	Call Number	UA @ lucian @ c:irua:134433			Serial	4587
Permanent link to this record



	Author	Van Duppen, B.; Vasilopoulos, P.; Peeters, F.M.
	Title	Spin and valley polarization of plasmons in silicene due to external fields			Type	A1 Journal article
	Year	2014	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	90	Issue	3	Pages	035142
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The electronic properties of the two-dimensional material silicene are strongly influenced by the application of a perpendicular electric field E-z and of an exchange field M due to adatoms positioned on the surface or a ferromagnetic substrate. Within the random phase approximation, we investigate how electron-electron interactions are affected by these fields and present analytical and numerical results for the dispersion of plasmons, their lifetime, and their oscillator strength. We find that the combination of the fields E-z and M brings a spin and valley texture to the particle-hole excitation spectrum and allows the formation of spin-and valley-polarized plasmons. When the Fermi level lies in the gap of one spin in one valley, the intraband region of the corresponding spectrum disappears. For zero E-z and finite M the spin symmetry is broken and spin polarization is possible. The lifetime and oscillator strength of the plasmons are shown to depend strongly on the number of spin and valley type electrons that form the electron-hole pairs.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000339974700001	Publication Date	2014-07-30
	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	49	Open Access
	Notes	; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN, the Flemish Science Foundation (FWO-Vl) by an aspirant grant to B.V.D., the Methusalem Foundation of the Flemish Government, and by the Canadian NSERC Grant No. OGP0121756. ;			Approved	Most recent IF: 3.836; 2014 IF: 3.736
	Call Number	UA @ lucian @ c:irua:118776			Serial	3080
Permanent link to this record



	Author	Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M.; van Duin, A.T.
	Title	Stability of CH3 molecules trapped on hydrogenated sites of graphene			Type	A1 Journal article
	Year	2014	Publication	Physica: B : condensed matter	Abbreviated Journal	Physica B
	Volume	455	Issue		Pages	60-65
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We study the effect of a hydrogen atom on the thermal stability of a trapped CH3 molecule on graphene using ReaxFF molecular dynamics simulations. Due to the hydrogen-molecule interaction, enhanced pinning of the CH3 molecule is observed when it is positioned adjacent to the graphene site with the hydrogen atom. We discuss the formation process of such a stable configuration, which originates from different adhesion and migration energies of the hydrogen atom and the CH3 molecule. We also studied the effect of the CH3-H configuration on the electronic transport properties of graphene nanoribbons using first principles density-functional calculations. We found that the formation of the CH3-H structure results in extra features in the transmission spectrum due to the formation of strongly localized states, which are absent when the CH3 molecule is trapped on pristine graphene. Our findings will be useful in exploiting gas sensing properties of graphene, especially for selective detection of individual molecules. (C) 2014 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000344239200016	Publication Date	2014-07-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0921-4526;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.386	Times cited	5	Open Access
	Notes	; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN and the Flemish Science Foundation (FWO-VI). A. van Duin acknowledges funding from the Air Force Office of Scientific Research (AFOSR) under Grant no. FA9550-10-1-0563 G. R. Berdiyorov acknowledges support from King Fahd University of Petroleum and Minerals, Saudi Arabia, under the RG1329-1 and RG1329-2 DSR projects. ;			Approved	Most recent IF: 1.386; 2014 IF: 1.319
	Call Number	UA @ lucian @ c:irua:121193			Serial	3124
Permanent link to this record



	Author	Mikhailova, D.; Reichel, P.; Tsirlin, A.A.; Abakumov, A.M.; Senyshyn, A.; Mogare, K.M.; Schmidt, M.; Kuo, C.Y.; Pao, C.W.; Pi, T.W.; Lee, J.F.; Hu, Z.; Tjeng, L.H.;
	Title	Oxygen-driven competition between low-dimensional structures of Sr₃CoMO₆ and Sr₃CoMO_7-\delta with M = Ru,Ir			Type	A1 Journal article
	Year	2014	Publication	Journal of the Chemical Society : Dalton transactions	Abbreviated Journal	Dalton T
	Volume	43	Issue	37	Pages	13883-13891
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We have realized a reversible structure transformation of one-dimensional 1D K4CdCl6-type Sr3CoMO6 with the Co2+/M4+ cation ordering into the two-dimensional 2D double layered Ruddlesden-Popper structure Sr3CoMO7-delta with a random distribution of Co and M (with M = Ru, Ir) upon increasing the partial oxygen pressure. The combined soft and hard X-ray absorption spectroscopy studies show that under transformation, Co and M cations were oxidized to Co3+ and M5+. During oxidation, high-spin Co2+ in Sr3CoMO6 first transforms into high-spin Co3+ in oxygen-deficient Sr3CoMO7-delta, and then further transforms into low-spin Co3+ in fully oxidized Sr3CoMO7 upon further increasing the partial pressure of oxygen. The 1D Sr3CoMO6 compound is magnetically ordered at low temperatures with the magnetic moments lying along the c-axis. Their alignment is parallel for Sr3CoRuO6 and antiparallel for Sr3CoIrO6. The 2D compounds reveal a spin-glass-like behavior related to the random distribution of magnetic cations in the structure.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000342074100009	Publication Date	2014-07-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1477-9226;1477-9234;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.029	Times cited	7	Open Access
	Notes				Approved	Most recent IF: 4.029; 2014 IF: 4.197
	Call Number	UA @ lucian @ c:irua:119960			Serial	2545
Permanent link to this record



	Author	Engelmann; Bogaerts, A.; Neyts, E.C.
	Title	Thermodynamics at the nanoscale: phase diagrams of nickel-carbon nanoclusters and equilibrium constants for phase transitions			Type	A1 Journal article
	Year	2014	Publication	Nanoscale	Abbreviated Journal	Nanoscale
	Volume	6	Issue	20	Pages	11981-11987
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Using reactive molecular dynamics simulations, the melting behavior of nickel-carbon nanoclusters is examined. The phase diagrams of icosahedral and Wulff polyhedron clusters are determined using both the Lindemann index and the potential energy. Formulae are derived for calculating the equilibrium constants and the solid and liquid fractions during a phase transition, allowing more rational determination of the melting temperature with respect to the arbitrary Lindemann value. These results give more insight into the properties of nickel-carbon nanoclusters in general and can specifically be very useful for a better understanding of the synthesis of carbon nanotubes using the catalytic chemical vapor deposition method.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000343000800049	Publication Date	2014-07-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2040-3364;2040-3372;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.367	Times cited	20	Open Access
	Notes				Approved	Most recent IF: 7.367; 2014 IF: 7.394
	Call Number	UA @ lucian @ c:irua:121106			Serial	3637
Permanent link to this record



	Author	Engelmann, Y.; Bogaerts, A.; Neyts, E.C.
	Title	Thermodynamics at the nanoscale : phase diagrams of nickel-carbon nanoclusters and equilibrium constants for face transitions			Type	A1 Journal article
	Year	2014	Publication	Nanoscale	Abbreviated Journal	Nanoscale
	Volume	6	Issue		Pages	11981-11987
	Keywords	A1 Journal article; PLASMANT
	Abstract	Using reactive molecular dynamics simulations, the melting behavior of nickelcarbon nanoclusters is examined. The phase diagrams of icosahedral and Wulff polyhedron clusters are determined using both the Lindemann index and the potential energy. Formulae are derived for calculating the equilibrium constants and the solid and liquid fractions during a phase transition, allowing more rational determination of the melting temperature with respect to the arbitrary Lindemann value. These results give more insight into the properties of nickelcarbon nanoclusters in general and can specifically be very useful for a better understanding of the synthesis of carbon nanotubes using the catalytic chemical vapor deposition method.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000343000800049	Publication Date	2014-07-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2040-3364;2040-3372;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.367	Times cited	20	Open Access
	Notes				Approved	Most recent IF: 7.367; 2014 IF: 7.394
	Call Number	UA @ lucian @ c:irua:119408			Serial	3636
Permanent link to this record



	Author	Compernolle, T.; Van Passel, S.; Huisman, K.; Kort, P.
	Title	The option to abandon : stimulating innovative groundwater remediation technologies characterized by technological uncertainty			Type	A1 Journal article
	Year	2014	Publication	Science Of The Total Environment	Abbreviated Journal	Sci Total Environ
	Volume	496	Issue		Pages	63-74
	Keywords	A1 Journal article; Economics
	Abstract	Many studies on technology adoption demonstrate that uncertainty leads to a postponement of investments by integrating a wait option in the economic analysis. The aim of this study however is to demonstrate how the investment in new technologies can be stimulated by integrating an option to abandon. Furthermore, this real option analysis not only considers the ex ante decision analysis of the investment in a new technology under uncertainty, but also allows for an ex post evaluation of the investment. Based on a case study regarding the adoption of an innovative groundwater remediation strategy, it is demonstrated that when the option to abandon the innovative technology is taken into account, the decision maker decides to invest in this technology, while at the same time it determines an optimal timing to abandon the technology if its operation proves to be inefficient. To reduce uncertainty about the effectiveness of groundwater remediation technologies, samples are taken. Our analysis shows that when the initial belief in an effective innovative technology is low, it is important that these samples provide correct information in order to justify the adoption of the innovative technology. (C) 2014 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000342245600009	Publication Date	2014-07-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0048-9697	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
	Impact Factor	4.9	Times cited	4	Open Access
	Notes	; ;			Approved	Most recent IF: 4.9; 2014 IF: 4.099
	Call Number	UA @ admin @ c:irua:119931			Serial	6269
Permanent link to this record



	Author	Grujić, M.M.; Tadić, M.Z.; Peeters, F.M.
	Title	Spin-valley filtering in strained graphene structures with artificially induced carrier mass and spin-orbit coupling			Type	A1 Journal article
	Year	2014	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	113	Issue	4	Pages	046601
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The interplay of massive electrons with spin-orbit coupling in bulk graphene results in a spin-valley dependent gap. Thus, a barrier with such properties can act as a filter, transmitting only opposite spins from opposite valleys. In this Letter we show that a strain induced pseudomagnetic field in such a barrier will enforce opposite cyclotron trajectories for the filtered valleys, leading to their spatial separation. Since spin is coupled to the valley in the filtered states, this also leads to spin separation, demonstrating a spin-valley filtering effect. The filtering behavior is found to be controllable by electrical gating as well as by strain.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000339620300013	Publication Date	2014-07-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9007;1079-7114;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.462	Times cited	90	Open Access
	Notes	; This work was supported by the Serbian Ministry of Education, Science, and Technological Development, the Flemish Science Foundation (FWO-V1), and the Methusalem program of the Flemish government. ;			Approved	Most recent IF: 8.462; 2014 IF: 7.512
	Call Number	UA @ lucian @ c:irua:118731			Serial	3104
Permanent link to this record



	Author	Scuracchio, P.; Costamagna; Peeters, F.M.; Dobry, A.
	Title	Role of atomic vacancies and boundary conditions on ballistic thermal transport in graphene nanoribbons			Type	A1 Journal article
	Year	2014	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	90	Issue	3	Pages	035429
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Quantum thermal transport in armchair and zigzag graphene nanoribbons is investigated in the presence of single atomic vacancies and subject to different boundary conditions. We start with a full comparison of the phonon polarizations and energy dispersions as given by a fifth-nearest-neighbor force-constant model (5NNFCM) and by elasticity theory of continuum membranes (ETCM). For free-edge ribbons, we discuss the behavior of an additional acoustic edge-localized flexural mode, known as fourth acoustic branch (4ZA), which has a small gap when it is obtained by the 5NNFCM. Then, we show that ribbons with supported edges have a sample-size dependent energy gap in the phonon spectrum which is particularly large for in-plane modes. Irrespective to the calculation method and the boundary condition, the dependence of the energy gap for the low-energy optical phonon modes against the ribbon width W is found to be proportional to 1/W for in-plane, and 1/W-2 for out-of-plane phonon modes. Using the 5NNFCM, the ballistic thermal conductance and its contributions from every single phonon mode are then obtained by the nonequilibrium Green's function technique. We found that, while edge and central localized single atomic vacancies do not affect the low-energy transmission function of in-plane phonon modes, they reduce considerably the contributions of the flexural modes. On the other hand, in-plane modes contributions are strongly dependent on the boundary conditions and at low temperatures can be highly reduced in supported-edge samples. These findings could open a route to engineer graphene based devices where it is possible to discriminate the relative contribution of polarized phonons and to tune the thermal transport on the nanoscale.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000339443800009	Publication Date	2014-07-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	20	Open Access
	Notes	; Discussions with S. D. Dalosto and K. H. Michel are gratefully acknowledged. This work was partially supported by PIP 11220090100392 of CONICET (Argentina) and the Flemish Science Foundation (FWO-VI). We acknowledge funding from the FWO (Belgium)-MINCyT (Argentina) collaborative research project. ;			Approved	Most recent IF: 3.836; 2014 IF: 3.736
	Call Number	UA @ lucian @ c:irua:118698			Serial	2911
Permanent link to this record



	Author	Yan, Y.; Liao, Z.M.; Ke, X.; Van Tendeloo, G.; Wang, Q.; Sun, D.; Yao, W.; Zhou, S.; Zhang, L.; Wu, H.C.; Yu, D.P.;
	Title	Topological surface state enhanced photothermoelectric effect in Bi₂Se₃ nanoribbons			Type	A1 Journal article
	Year	2014	Publication	Nano letters	Abbreviated Journal	Nano Lett
	Volume	14	Issue	8	Pages	4389-4394
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The photothermoelectric effect in topological insulator Bi2Se3 nanoribbons is studied. The topological surface states are excited to be spin-polarized by circularly polarized light. Because the direction of the electron spin is locked to its momentum for the spin-helical surface states, the photothermoelectric effect is significantly enhanced as the oriented motions of the polarized spins are accelerated by the temperature gradient. The results are explained based on the microscopic mechanisms of a photon induced spin transition from the surface Dirac cone to the bulk conduction band. The as-reported enhanced photothermoelectric effect is expected to have potential applications in a spin-polarized power source.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington	Editor
	Language		Wos	000340446200028	Publication Date	2014-07-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1530-6984;1530-6992;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.712	Times cited	51	Open Access
	Notes	European Research Council under the Seventh Framework Program (FP7); ERC Advanced Grant No. 246791-COUNTATOMS.			Approved	Most recent IF: 12.712; 2014 IF: 13.592
	Call Number	UA @ lucian @ c:irua:118128			Serial	3678
Permanent link to this record



	Author	Spyrou, K.; Potsi, G.; Diamanti, E.K.; Ke, X.; Serestatidou, E.; Verginadis, I.I.; Velalopoulou, A.P.; Evangelou, A.M.; Deligiannakis, Y.; Van Tendeloo, G.; Gournis, D.; Rudolf, P.;
	Title	Towards Novel Multifunctional Pillared Nanostructures: Effective Intercalation of Adamantylamine in Graphene Oxide and Smectite Clays			Type	A1 Journal article
	Year	2014	Publication	Advanced functional materials	Abbreviated Journal	Adv Funct Mater
	Volume	24	Issue	37	Pages	5841-5850
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Multifunctional pillared materials are synthesized by the intercalation of cage-shaped adamantylamine (ADMA) molecules into the interlayer space of graphite oxide (GO) and aluminosilicate clays. The physicochemical and structural properties of these hybrids, determined by X-ray diffraction (XRD), Fourier transform infrared (FTIR), Raman and X-ray photoemission (XPS) spectroscopies and transmission electron microscopy (TEM) show that they can serve as tunable hydrophobic/hydrophilic and stereospecific nanotemplates. Thus, in ADMA-pillared clay hybrids, the phyllomorphous clay provides a hydrophilic nanoenvironment where the local hydrophobicity is modulated by the presence of ADMA moieties. On the other hand, in the ADMA-GO hybrid, both the aromatic rings of GO sheets and the ADMA molecules define a hydrophobic nanoenvironment where sp(3)-oxo moieties (epoxy, hydroxyl and carboxyl groups), present on GO, modulate hydrophilicity. As test applications, these pillared nanostructures are capable of selective/stereospecific trapping of small chlorophenols or can act as cytotoxic agents.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000342794500008	Publication Date	2014-07-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1616-301X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.124	Times cited	19	Open Access
	Notes				Approved	Most recent IF: 12.124; 2014 IF: 11.805
	Call Number	UA @ lucian @ c:irua:121085			Serial	3686
Permanent link to this record



	Author	Zhou, C.; Ji, G.; Chen, Z.; Wang, M.; Addad, A.; Schryvers, D.; Wang, H.
	Title	Fabrication, interface characterization and modeling of oriented graphite flakes/Si/Al composites for thermal management applications			Type	A1 Journal article
	Year	2014	Publication	Materials and design	Abbreviated Journal	Mater Design
	Volume	63	Issue		Pages	719-728
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Highly thermally conductive graphite flakes (Gf)/Si/Al composites have been fabricated using Gf, Si powder and an AlSi7Mg0.3 alloy by an optimized pressure infiltration process for thermal management applications. In the composites, the layers of Gf were spaced apart by Si particles and oriented perpendicular to the pressing direction, which offered the opportunity to tailor the thermal conductivity (TC) and coefficient of thermal expansion (CTE) of the composites. Microstructural characterization revealed that the formation of a clean and tightly-adhered interface at the nanoscale between the side surface of the Gf and Al matrix, devoid of a detrimental Al4C3 phase and a reacted amorphous AlSiOC layer, contributed to excellent thermal performance along the alignment direction. With increasing volume fraction of Gf from 13.7 to 71.1 vol.%, the longitudinal (i.e. parallel to the graphite layers) TC of the composites increased from 179 to 526 W/m K, while the longitudinal CTE decreased from 12.1 to 7.3 ppm/K (matching the values of electronic components). Furthermore, the modified layers-in-parallel model better fitted the longitudinal TC data than the layers-in-parallel model and confirmed that the clean and tightly-adhered interface is favorable for the enhanced longitudinal TC.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Reigate	Editor
	Language		Wos	000340949300086	Publication Date	2014-07-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0261-3069;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	61	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:118124			Serial	1166
Permanent link to this record



	Author	Monico, L.; Janssens, K.; Hendriks, E.; Brunetti, B.G.; Miliani, C.
	Title	Raman study of different crystalline forms of PbCrO₄ and PbCr_1-xS_xO₄ solid solutions for the noninvasive identification of chrome yellows in paintings : a focus on works by Vincent van Gogh			Type	A1 Journal article
	Year	2014	Publication	Journal of Raman spectroscopy	Abbreviated Journal	J Raman Spectrosc
	Volume	45	Issue	11-12	Pages	1034-1045
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Chrome yellows, a class of pigments frequently used by painters of the Impressionism and Post-impressionism period, are known for their different chemical stability; the latter depends on the chemical composition (PbCrO4, PbCr1-xSxO4) and crystalline structure (monoclinic or orthorhombic) of the material. The possibility to distinguish among different forms of this pigment is therefore relevant in order to extend knowledge on the corresponding degradation process that is observed on several original paintings. For this purpose, three paintings conserved at the Van Gogh Museum (Amsterdam) were analyzed using noninvasive Raman spectroscopy, while equivalent investigations employing bench-top instrumentation were performed to obtain information from micro-samples originating from these works of art. In each painting, the chrome yellow was identified either as monoclinic PbCrO4 or in the form of monoclinic PbCr1-xSxO4 (x<0.25) or S-rich orthorhombic PbCr1-xSxO4 (x similar to 0.5). Our ability to make this fairly subtle distinction is based on a Raman study of several oil paint model samples made up of monoclinic and/or orthorhombic crystalline forms of PbCrO4 and PbCr1-xSxO4 (0.1x0.8). These paints were studied using several excitation wavelengths (namely 785.0, 532.0, 514.5, and 488nm). Because of the absence of the resonance Raman effect, which strongly enhances the chromate symmetric stretching band, and the absence of any laser-induced photodecomposition, it is advantageous to acquire data at 785.0nm. The band-shape and the position of the chromate bending modes proved to be more sensitive to the solid solution composition and crystalline structure than the stretching modes and can be used as distinctive spectral markers to discriminate among the different chrome yellow forms that are present. Copyright (c) 2014 John Wiley & Sons, Ltd.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000346912700008	Publication Date	2014-07-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0377-0486	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.969	Times cited	34	Open Access
	Notes	; This research was supported by Interuniversity Attraction Poles Programme – Belgian Science Policy (S2-ART project S4DA) and also presents results from GOA 'XANES meets ELNES' (Research Fund University of Antwerp, Belgium), FWO (Brussels, Belgium) projects no. G.0704.08 and G.01769.09. Support from the Italian projects PRIN (SICH Sustainability in Cultural Heritage: from diagnosis to the development of innovative system for consolidation, cleaning and protection) and PON (ITACHA Italian advanced technologies for cultural heritage applications) is also acknowledged. The analysis of the paintings Sunflowers gone to seed, Bank of the Seine, and Portrait of Gauguin was performed within the mobile laboratory access activity of the FP7 programme CHARISMA supported by EC (Grant Agreement 228330). LM acknowledges the Italian National Research Council (CNR) for the financial support in the framework of the Short Term Mobility Programme 2013. Thanks are expressed to Muriel Geldof, Cultural Heritage Agency of The Netherlands, for selecting and sharing the information on the cross-sections and to the staff of the Van Gogh Museum for the agreeable cooperation. ;			Approved	Most recent IF: 2.969; 2014 IF: 2.671
	Call Number	UA @ admin @ c:irua:122841			Serial	5798
Permanent link to this record



	Author	N. Gauquelin, D. G. Hawthorn, G. A. Sawatzky, R. X. Liang, D. A. Bonn, W. N. Hardy & G.A. Botton
	Title	Atomic scale real-space mapping of holes in YBa2Cu3O6+δ			Type	A1 Journal Article
	Year	2014	Publication	Nature Communications	Abbreviated Journal
	Volume	5	Issue		Pages	4275
	Keywords	A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
	Abstract	The high-temperature superconductor YBa2Cu3O6+δ consists of two main structural units—a bilayer of CuO2 planes that are central to superconductivity and a CuO2+δ chain layer. Although the functional role of the planes and chains has long been established, most probes integrate over both, which makes it difficult to distinguish the contribution of each. Here we use electron energy loss spectroscopy to directly resolve the plane and chain contributions to the electronic structure in YBa2Cu3O6 and YBa2Cu3O7. We directly probe the charge transfer of holes from the chains to the planes as a function of oxygen content, and show that the change in orbital occupation of Cu is large in the chain layer but modest in CuO2 planes, with holes in the planes doped primarily into the O 2p states. These results provide direct insight into the local electronic structure and charge transfers in this important high-temperature superconductor.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000340615100002	Publication Date	2014-07-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links
	Impact Factor		Times cited	22	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	EMAT @ emat @			Serial	4542
Permanent link to this record



	Author	da Costa, D.R.; Zarenia, M.; Chaves, A.; Farias, G.A.; Peeters, F.M.
	Title	Analytical study of the energy levels in bilayer graphene quantum dots			Type	A1 Journal article
	Year	2014	Publication	Carbon	Abbreviated Journal	Carbon
	Volume	78	Issue		Pages	392-400
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using the four-band continuum model we derive a general expression for the infinite-mass boundary condition in bilayer graphene. Applying this new boundary condition we analytically calculate the confined states and the corresponding wave functions in a bilayer graphene quantum dot in the absence and presence of a perpendicular magnetic field. Our results for the energy spectrum show an energy gap between the electron and hole states at small magnetic fields. Furthermore the electron (e) and hole (h) energy levels corresponding to the K and K' valleys exhibit the E-K(e(h)) (m) = E-K'(e(h)) (m) symmetry, where m is the angular momentum quantum number. (C) 2014 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000341463900042	Publication Date	2014-07-16
	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	35	Open Access
	Notes	; This work was financially supported by CNPq, under contract NanoBioEstruturas 555183/2005-0, PRONEX/FUNCAP, CAPES Foundation under the process number BEX 7178/13-1, the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES program Euro-GRAPHENE (project CONGRAN), the Bilateral programme between CNPq and FWO-Vl, and the Brazilian Program Science Without Borders (CsF). We thank M. Ramezani Masir and M. Grujic for helpful comments and discussions. ;			Approved	Most recent IF: 6.337; 2014 IF: 6.196
	Call Number	UA @ lucian @ c:irua:119280			Serial	109
Permanent link to this record



	Author	Nelen, D.; Manshoven, S.; Peeters, J.R.; Vanegas, P.; D'Haese, N.; Vrancken, K.
	Title	A multidimensional indicator set to assess the benefits of WEEE material recycling			Type	A1 Journal article
	Year	2014	Publication	Journal of cleaner production	Abbreviated Journal
	Volume	83	Issue		Pages	305-316
	Keywords	A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	EU strategies for waste management have long recognized the key role of recycling to move towards sustainable consumption and production. This resulted in a range of regulatory measures, among which the Waste Electrical and Electronic Equipment (WEEE) directive, which sets weight-based targets for recovery, preparation for re-use and recycling. The increasing strategic relevance of the supply of raw materials has, however, spurred a more integrated approach towards resource efficiency. In addition to the prevention of disposal, recycling practices are now also meant to contribute to sustainable materials management by pursuing (i) a higher degree of material cycle closure, (ii) an improved recovery of strategically relevant materials, and (iii) the avoidance of environmental burdens associated with the extraction and refining of primary raw materials. In response to this evolution, this paper reports about the development of an indicator set that allows to quantitatively demonstrate these recycling benefits, hence going further than the weight-based objectives employed in the WEEE directive. The indicators can be calculated for WEEE recycling processes for which information is available on both input and output fractions. It offers a comprehensive framework that aims to support decision making processes on product design, to identify opportunities for the optimization of WEEE End-of-Life scenarios, and to assess the achieved (or expected) results of implemented (or planned) recycling optimization strategies. The paper is illustrated by a case study on the recycling of LCD televisions. (C) 2014 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000343781500030	Publication Date	2014-07-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0959-6526	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:121160			Serial	7393
Permanent link to this record



	Author	Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D.; Volety, K.; Huyberechts, G.; Paul, J.
	Title	High throughput first-principles calculations of bixbyite oxides for TCO applications			Type	A1 Journal article
	Year	2014	Publication	Physical chemistry, chemical physics	Abbreviated Journal	Phys Chem Chem Phys
	Volume	16	Issue	33	Pages	17724-17733
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	We present a high-throughput computing scheme based on density functional theory (DFT) to generate a class of oxides and screen them with the aim of identifying those that might be electronically appropriate for transparent conducting oxide (TCO) applications. The screening criteria used are a minimum band gap to ensure sufficient transparency, a band edge alignment consistent with easy n- or p-type dopability, and a minimum thermodynamic phase stability to be experimentally synthesizable. Following this scheme we screened 23 binary and 1518 ternary bixbyite oxides in order to identify promising candidates, which can then be a subject of an in-depth study. The results for the known TCOs are in good agreement with the reported data in the literature. We suggest a list of several new potential TCOs, including both n- and p-type compounds.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000341064800041	Publication Date	2014-07-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1463-9076;1463-9084;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.123	Times cited	23	Open Access
	Notes	; We gratefully acknowledge financial support from the IWT-Vlaanderen through the ISIMADE project (IWT-n 080023), the FWO-Vlaanderen through project G.0150.13 and a GOA fund from the University of Antwerp. This work was carried out using the HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center VSC, which is funded by the Hercules foundation and the Flemish Government (EWI Department). ;			Approved	Most recent IF: 4.123; 2014 IF: 4.493
	Call Number	UA @ lucian @ c:irua:118263			Serial	1469
Permanent link to this record