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	Author	Pereira, J.M.; Peeters, F.M.; Chaves, A.; Farias, G.A.
	Title	Klein tunneling in single and multiple barriers in graphene			Type	A1 Journal article
	Year	2010	Publication	Semiconductor science and technology	Abbreviated Journal	Semicond Sci Tech
	Volume	25	Issue	3	Pages	033002,1-033002,9
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We review the transmission properties of carriers interacting with potential barriers in graphene. The tunneling of electrons and holes in quantum structures in graphene is found to display features that are in marked contrast with those of other systems. In particular, the interaction between the carriers with electrostatic potential barriers can be related to the propagation of electromagnetic waves in media with negative refraction indices, also known as metamaterials. This behavior becomes evident as one calculates the time evolution of wavepackets propagating across the barrier interface. In addition, we discuss the effect of trigonal warping on the tunneling through potential barriers.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000274318300004	Publication Date	2010-02-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0268-1242;1361-6641;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.305	Times cited	83	Open Access
	Notes	; We want to acknowledge our collaborators in this work: P Vasilopoulos and M Barbier. This work was supported by the Brazilian Council for Research (CNPq), the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ;			Approved	Most recent IF: 2.305; 2010 IF: 1.333
	Call Number	UA @ lucian @ c:irua:80961			Serial	1764
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	Author	Vlasov, I.I.; Shenderova, O.; Turner, S.; Lebedev, O.I.; Basov, A.A.; Sildos, I.; Rähn, M.; Shiryaev, A.A.; Van Tendeloo, G.
	Title	Nitrogen and luminescent nitrogen-vacancy defects in detonation nanodiamond			Type	A1 Journal article
	Year	2010	Publication	Small	Abbreviated Journal	Small
	Volume	6	Issue	5	Pages	687-694
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	An efficient method to investigate the microstructure and spatial distribution of nitrogen and nitrogen-vacancy (N-V) defects in detonation nanodiamond (DND) with primary particle sizes ranging from approximately 3 to 50 nm is presented. Detailed analysis reveals atomic nitrogen concentrations as high as 3 at% in 50% of diamond primary particles with sizes smaller than 6 nm. A non-uniform distribution of nitrogen within larger primary DND particles is also presented, indicating a preference for location within the defective central part or at twin boundaries. A photoluminescence (PL) spectrum with well-pronounced zero-phonon lines related to the N-V centers is demonstrated for the first time for electron-irradiated and annealed DND particles at continuous laser excitation. Combined Raman and PL analysis of DND crystallites dispersed on a Si substrate leads to the conclusion that the observed N-V luminescence originates from primary particles with sizes exceeding 30 nm. These findings demonstrate that by manipulation of the size/nitrogen content in DND there are prospects for mass production of nanodiamond photoemitters based on bright and stable luminescence from nitrogen-related defects.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000275972400013	Publication Date	2010-01-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1613-6810;1613-6829;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.643	Times cited	84	Open Access
	Notes	Esteem 026019			Approved	Most recent IF: 8.643; 2010 IF: 7.336
	Call Number	UA @ lucian @ c:irua:82364			Serial	2341
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	Author	Barreca, D.; Gasparotto, A.; Lebedev, O.I.; Maccato, C.; Pozza, A.; Tondello, E.; Turner, S.; Van Tendeloo, G.
	Title	Controlled vapor-phase synthesis of cobalt oxide nanomaterials with tuned composition and spatial organization			Type	A1 Journal article
	Year	2010	Publication	CrystEngComm	Abbreviated Journal	Crystengcomm
	Volume	12	Issue	7	Pages	2185-2197
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000279627700040	Publication Date	2010-03-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1466-8033;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.474	Times cited	85	Open Access
	Notes				Approved	Most recent IF: 3.474; 2010 IF: 4.006
	Call Number	UA @ lucian @ c:irua:83686			Serial	503
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	Author	Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A.
	Title	Electronic properties of two-dimensional hexagonal germanium			Type	A1 Journal article
	Year	2010	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	96	Issue	8	Pages	082111,1-082111,3
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The electronic properties of two-dimensional hexagonal germanium, so called germanene, are investigated using first-principles simulations. Consistent with previous reports, the surface is predicted to have a poor metallic behavior, i.e., being metallic with a low density of states at the Fermi level. It is found that biaxial compressively strained germanene is a gapless semiconductor with linear energy dispersions near the K pointslike graphene. The calculated Fermi velocity of germanene is almost independent of the strain and is about 1.7×10<sup>6</sup> m/s, quite comparable to the value in graphene.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000275027200044	Publication Date	2010-02-25
	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	86	Open Access
	Notes				Approved	Most recent IF: 3.411; 2010 IF: 3.841
	Call Number	UA @ lucian @ c:irua:91716			Serial	1004
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	Author	Ao, Z.M.; Peeters, F.M.
	Title	Electric field: A catalyst for hydrogenation of graphene			Type	A1 Journal article
	Year	2010	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	96	Issue	25	Pages	3
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Due to the importance of hydrogenation of graphene for several applications, we present an alternative approach to hydrogenate graphene based on density functional theory calculations. We find that a negative perpendicular electric field F can act as a catalyst to reduce the energy barrier for molecular H<sub>2</sub> dissociative adsorption on graphene. Increasing -F above 0.02 a.u. (1 a.u.=5.14×10<sup>11</sup> V/m), this hydrogenation process occurs smoothly without any potential barrier.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000279168100052	Publication Date	2010-06-23
	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	88	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ;			Approved	Most recent IF: 3.411; 2010 IF: 3.841
	Call Number	UA @ lucian @ c:irua:83924			Serial	881
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	Author	Geurts, R.; Milošević, M.V.; Peeters, F.M.
	Title	Vortex matter in mesoscopic two-gap superconducting disks: influence of Josephson and magnetic coupling			Type	A1 Journal article
	Year	2010	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	81	Issue	21	Pages	15
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000278846600001	Publication Date	2010-06-21
	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	89	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen), the Belgian Science Policy (IAP), the ESF “Nanoscience and Engineering in Superconductivity” (NES) program, and the ESF “Arrays of Quantum Dots and Josephson Junctions” network. ;			Approved	Most recent IF: 3.836; 2010 IF: 3.774
	Call Number	UA @ lucian @ c:irua:83933			Serial	3872
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	Author	Neek-Amal, M.; Peeters, F.M.
	Title	Graphene nanoribbons subjected to axial stress			Type	A1 Journal article
	Year	2010	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	82	Issue	8	Pages	085432-085432,6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Atomistic simulations are used to study the bending of rectangular graphene nanoribbons subjected to axial stress both for free boundary and supported boundary conditions. The shapes of the deformations of the buckled graphene nanoribbons, for small values of the stress, are sine waves where the number of nodal lines depend on the longitudinal size of the system and the applied boundary condition. The buckling strain for the supported boundary condition is found to be independent of the longitudinal size and estimated to be 0.86%. From a calculation of the free energy at finite temperature we find that the equilibrium projected two-dimensional area of the graphene nanoribbon is less than the area of a flat sheet. At the optimum length the boundary strain for the supported boundary condition is 0.48%.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000281065100007	Publication Date	2010-08-20
	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	92	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ;			Approved	Most recent IF: 3.836; 2010 IF: 3.774
	Call Number	UA @ lucian @ c:irua:84583			Serial	1373
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	Author	Chaves, A.; Covaci, L.; Rakhimov, K.Y.; Farias, G.A.; Peeters, F.M.
	Title	Wave-packet dynamics and valley filter in strained graphene			Type	A1 Journal article
	Year	2010	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	82	Issue	20	Pages	205430
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The time evolution of a wave packet in strained graphene is studied within the tight-binding model and continuum model. The effect of an external magnetic field, as well as a strain-induced pseudomagnetic field, on the wave-packet trajectories and zitterbewegung are analyzed. Combining the effects of strain with those of an external magnetic field produces an effective magnetic field which is large in one of the Dirac cones, but can be practically zero in the other. We construct an efficient valley filter, where for a propagating incoming wave packet consisting of momenta around the K and K' Dirac points, the outgoing wave packet exhibits momenta in only one of these Dirac points while the components of the packet that belong to the other Dirac point are reflected due to the Lorentz force. We also found that the zitterbewegung is permanent in time in the presence of either external or strain-induced magnetic fields, but when both the external and strain-induced magnetic fields are present, the zitterbewegung is transient in one of the Dirac cones, whereas in the other cone the wave packet exhibits permanent spatial oscillations.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000284401600007	Publication Date	2010-11-19
	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	95	Open Access
	Notes	; This work was financially supported by CNPq under NanoBioEstruturas Contract No. 555183/2005-0, PRONEX/CNPq/FUNCAP, CAPES, the Bilateral program between Flanders and Brazil, the Belgian Science Policy (IAP), and the Flemish Science Foundation (FWO-V1) ;			Approved	Most recent IF: 3.836; 2010 IF: 3.774
	Call Number	UA @ lucian @ c:irua:95542			Serial	3905
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	Author	de Backer, J.W.; Vos, W.G.; Vinchurkar, S.C.; Claes, R.; Drollmann, A.; Wulfrank, D.; Parizel, P.M.; Germonpré, P.; de Backer, W.
	Title	Validation of computational fluid dynamics in CT-based airway models with SPECT/CT1			Type	A1 Journal article
	Year	2010	Publication	Radiology	Abbreviated Journal	Radiology
	Volume	257	Issue	3	Pages	854-862
	Keywords	A1 Journal article; Condensed Matter Theory (CMT); Vision lab; Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP)
	Abstract	Purpose: To compare the results obtained by using numerical flow simulations with the results of combined single photon emission computed tomography (SPECT) and computed tomography (CT) and to demonstrate the importance of correct boundary conditions for the numerical methods to account for the large amount of interpatient variability in airway geometry. Materials and Methods: This study was approved by all relevant institutional review boards. All patients gave their signed informed consent. In this study, six patients with mild asthma (three men; three women; overall mean age, 46 years ± 17 [standard deviation]) underwent CT at functional residual capacity and total lung capacity, as well as SPECT/CT. CT data were used for segmentation and computational fluid dynamics (CFD) simulations. A comparison was made between airflow distribution, as derived with (a) SPECT/CT through tracer concentration analysis, (b) CT through lobar expansion measurement, and (c) CFD through flow computer simulation. Also, the heterogeneity of the ventilation was examined. Results: Good agreement was found between SPECT/CT, CT, and CFD in terms of airflow distribution and hot spot detection. The average difference for the internal airflow distribution was less than 3% for CFD and CT versus SPECT/CT. Heterogeneity in ventilation patterns could be detected with SPECT/CT and CFD. Conclusion: This results of this study show that patient-specific computer simulations with appropriate boundary conditions yield information that is similar to that obtained with functional imaging tools, such as SPECT/CT.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000284469300031	Publication Date	2010-11-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0033-8419;1527-1315;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.296	Times cited	100	Open Access
	Notes	; Supported by Novartis. ;			Approved	Most recent IF: 7.296; 2010 IF: 6.069
	Call Number	UA @ lucian @ c:irua:85379			Serial	3831
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	Author	Neek-Amal, M.; Peeters, F.M.
	Title	Nanoindentation of a circular sheet of bilayer graphene			Type	A1 Journal article
	Year	2010	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	81	Issue	23	Pages	235421,1-235421,6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Nanoindentation of bilayer graphene is studied using molecular-dynamics simulations. We compared our simulation results with those from elasticity theory as based on the nonlinear Föppl-Hencky equations with rigid boundary condition. The force-deflection values of bilayer graphene are compared to those of monolayer graphene. Youngs modulus of bilayer graphene is estimated to be 0.8 TPa which is close to the value for graphite. Moreover, an almost flat bilayer membrane at low temperature under central load has a 14% smaller Youngs modulus as compared to the one at room temperature.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000278710800003	Publication Date	2010-06-11
	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	108	Open Access
	Notes	; We gratefully acknowledge comments from R. Asgari. M.N.-A. would like to thank the Universiteit of Antwerpen for its hospitality where part of this work was performed. This work was supported by the Flemish science foundation (FWO-V1) and the Belgium Science Policy (IAP). ;			Approved	Most recent IF: 3.836; 2010 IF: 3.774
	Call Number	UA @ lucian @ c:irua:83093			Serial	2259
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	Author	Ao, Z.M.; Peeters, F.M.
	Title	Electric field activated hydrogen dissociative adsorption to nitrogen-doped graphene			Type	A1 Journal article
	Year	2010	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	114	Issue	34	Pages	14503-14509
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Graphane, hydrogenated graphene, was very recently synthesized and predicted to have great potential applications. In this work, we propose a new promising approach for hydrogenation of graphene based on density functional theory (DFT) calculations through the application of a perpendicular electric field after substitutionally doping by nitrogen atoms. These DFT calculations show that the doping by nitrogen atoms into the graphene layer and applying an electrical field normal to the graphene surface induce dissociative adsorption of hydrogen. The dissociative adsorption energy barrier of an H2 molecule on a pristine graphene layer changes from 2.7 to 2.5 eV on N-doped graphene, and to 0.88 eV on N-doped graphene under an electric field of 0.005 au. When increasing the electric field above 0.01 au, the reaction barrier disappears. Therefore, N doping and applying an electric field have catalytic effects on the hydrogenation of graphene, which can be used for hydrogen storage purposes and nanoelectronic applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000281129100027	Publication Date	2010-08-09
	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	110	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-VI) and the Belgian Science Policy (IAP). ;			Approved	Most recent IF: 4.536; 2010 IF: 4.524
	Call Number	UA @ lucian @ c:irua:84588			Serial	882
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	Author	Delville, R.; Malard, B.; Pilch, J.; Schryvers, D.
	Title	Microstructure changes during non-conventional heat treatment of thin NiTi wires by pulsed electric current studied by transmission electron microscopy			Type	A1 Journal article
	Year	2010	Publication	Acta materialia	Abbreviated Journal	Acta Mater
	Volume	58	Issue	13	Pages	4503-4515
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Transmission electron microscopy, electrical resistivity measurements and mechanical testing were employed to investigate the evolution of microstructure and functional superelastic properties of 0.1 mm diameter as-drawn NiTi wires subjected to a non-conventional heat treatment by controlled electric pulse currents. This method enables a better control of the recovery and recrystallization processes taking place during the heat treatment and accordingly a better control on the final microstructure. Using a stepwise approach of millisecond pulse annealing, it is shown how the microstructure evolves from a severely deformed state with no functional properties to an optimal nanograined microstructure (2050 nm) that is partially recovered through polygonization and partially recrystallized and that has the best functional properties. Such a microstructure is highly resistant against dislocation slip upon cycling, while microstructures annealed for longer times and showing mostly recrystallized grains were prone to dislocation slip, particularly as the grain size exceeds 200 nm.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000279787100020	Publication Date	2010-06-02
	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	110	Open Access
	Notes	Multimat; FWO IAA			Approved	Most recent IF: 5.301; 2010 IF: 3.791
	Call Number	UA @ lucian @ c:irua:83279			Serial	2062
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	Author	Figuerola, A.; van Huis, M.; Zanella, M.; Genovese, A.; Marras, S.; Falqui, A.; Zandbergen, H.W.; Cingolani, R.; Manna, L.
	Title	Epitaxial CdSe-Au nanocrystal heterostructures by thermal annealing			Type	A1 Journal article
	Year	2010	Publication	Nano letters	Abbreviated Journal	Nano Lett
	Volume	10	Issue	8	Pages	3028-3036
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington	Editor
	Language		Wos	000280728900049	Publication Date	2010-07-16
	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	112	Open Access
	Notes				Approved	Most recent IF: 12.712; 2010 IF: 12.219
	Call Number	UA @ lucian @ c:irua:83995			Serial	1069
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	Author	Paulussen, S.; Verheyde, B.; Tu, X.; De Bie, C.; Martens, T.; Petrovic, D.; Bogaerts, A.; Sels, B.
	Title	Conversion of carbon dioxide to value-added chemicals in atmospheric pressure dielectric barrier discharges			Type	A1 Journal article
	Year	2010	Publication	Plasma sources science and technology	Abbreviated Journal	Plasma Sources Sci T
	Volume	19	Issue	3	Pages	034015,1-034015,6
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The aim of this work consists of the evaluation of atmospheric pressure dielectric barrier discharges for the conversion of greenhouse gases into useful compounds. Therefore, pure CO2 feed flows are administered to the discharge zone at varying discharge frequency, power input, gas temperature and feed flow rates, aiming at the formation of CO and O2. The discharge obtained in CO2 is characterized as a filamentary mode with a microdischarge zone in each half cycle of the applied voltage. It is shown that the most important parameter affecting the CO2-conversion levels is the gas flow rate. At low flow rates, both the conversion and the CO-yield are significantly higher. In addition, also an increase in the gas temperature and the power input give rise to higher conversion levels, although the effect on the CO-yield is limited. The optimum discharge frequency depends on the power input level and it cannot be unambiguously stated that higher frequencies give rise to increased conversion levels. A maximum CO2 conversion of 30% is achieved at a flow rate of 0.05 L min−1, a power density of 14.75 W cm−3 and a frequency of 60 kHz. The most energy efficient conversions are achieved at a flow rate of 0.2 L min−1, a power density of 11 W cm−3 and a discharge frequency of 30 kHz.
	Address
	Corporate Author				Thesis
	Publisher	Institute of Physics	Place of Publication	Bristol	Editor
	Language		Wos	000277982800016	Publication Date	2010-05-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0963-0252;1361-6595;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.302	Times cited	116	Open Access
	Notes				Approved	Most recent IF: 3.302; 2010 IF: 2.218
	Call Number	UA @ lucian @ c:irua:82408			Serial	512
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	Author	Efimov, K.; Xu, Q.; Feldhoff, A.
	Title	Transmission electron microscopy study of BA_0.5Sr_0.5CO_0.8Fe_0.2O_3-\delta Perovskite decomposition at intermediate temperatures			Type	A1 Journal article
	Year	2010	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	22	Issue	21	Pages	5866-5875
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The cubic perovskite Ba(0.5)Sr(0.5)Co(0.8)Fe(0.2)O(3-delta) (denoted BSCF) is the state-of-the-art ceramic membrane material used for oxygen separation technologies above 1150 K. BSCF is a mixed oxygen-ion and electron conductor (MIEC) and exhibits one of the highest oxygen permeabilities reported so far for dense oxides. Additionally, it has excellent phase stability above 1150 K. In the intermediate temperature range (750-1100 K), however, BSCF suffers from a slow decomposition of the cubic perovskite into variants with hexagonal stacking that are barriers to oxygen transport. To elucidate details of the decomposition process, both sintered BSCF ceramic and powder were annealed for 180-240 h in ambient air at temperatures below 1123 K and analyzed by different transmission electron microscopy techniques. Aside from hexagonal perovskite Ba(0.5)Sr(0.5)CoO(3-delta) , the formation of lamellar noncubic phases was observed in the quenched samples. The structure of the lamellae with the previously unknown composition Ba(1-x)Sr(x)Co(2-y)Fe(y)O(5-delta) was found to be related to the 15R hexagonal perovskite polytype. The valence and spin-state transition of cobalt leading to a considerable diminution of its ionic radius can be considered a reason for BSCF's inherent phase instability at intermediate temperatures.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000283623700010	Publication Date	2010-10-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0897-4756;1520-5002;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.466	Times cited	117	Open Access
	Notes	Esteem 026019			Approved	Most recent IF: 9.466; 2010 IF: 6.400
	Call Number	UA @ lucian @ c:irua:95546			Serial	3720
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	Author	Neyts, E.C.; Shibuta, Y.; van Duin, A.C.T.; Bogaerts, A.
	Title	Catalyzed growth of carbon nanotube with definable chirality by hybrid molecular dynamics-force biased Monte Carlo simulations			Type	A1 Journal article
	Year	2010	Publication	ACS nano	Abbreviated Journal	Acs Nano
	Volume	4	Issue	11	Pages	6665-6672
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Metal-catalyzed growth mechanisms of carbon nanotubes (CNTs) were studied by hybrid molecular dynamics−Monte Carlo simulations using a recently developed ReaxFF reactive force field. Using this novel approach, including relaxation effects, a CNT with definable chirality is obtained, and a step-by-step atomistic description of the nucleation process is presented. Both root and tip growth mechanisms are observed. The importance of the relaxation of the network is highlighted by the observed healing of defects.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000284438000043	Publication Date	2010-10-12
	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	129	Open Access
	Notes				Approved	Most recent IF: 13.942; 2010 IF: 9.865
	Call Number	UA @ lucian @ c:irua:84759			Serial	294
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	Author	Peng, L.; Philippaerts, A.; Ke, X.; van Noyen, J.; de Cleppel, F.; Van Tendeloo, G.; Jacobs, P.A.; Sels, B.F.
	Title	Preparation of sulfonated ordered mesoporous carbon and its use for the esterification of fatty acids			Type	A1 Journal article
	Year	2010	Publication	Catalysis today	Abbreviated Journal	Catal Today
	Volume	150	Issue	1/2	Pages	140-146
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Mesoporous carbon, which can be replicated from mesoporous silica and whose surface is hydrophobic, can be an ideal catalyst for the esterification of fatty acids. Here we report an easy and low cost way to prepare sulfonic acid group-functionalized mesoporous carbon. A sample of calcined mesoporous silica SBA-15 was added to an aqueous sucrose solution followed by drying and calcination at different temperatures. In contrast to existing procedures, the obtained hybrid Si/C material was then first sulfonated in H2SO4, before the final removal of the silica template in order to stabilize the porous structure towards the liquid phase sulfonation treatment. Thus the silicacarbon composites, instead of the mesoporous carbon, were successfully sulfonated to introduce SO3H groups, while keeping the ordered mesoporous structure intact. The influence of carbonization temperature was investigated, suggesting an optimum temperature of 873 K. The SO3H group-functionalized mesoporous carbon, denoted as CMK-3-873-SO3H, was characterized by means of XRD, N2 physisorption, SEM, FT-IR, elemental analysis and TEM. It followed that a uniform mesoporous carbon was obtained with an average pore size of 3.89 nm, a specific surface of 807 m2/g and a SO3H group loading of 0.39 meq/g of dry material. Compared with other solid acid catalysts, the resulting material shows enhanced activity in the acid-catalyzed esterification of oleic acid with methanol, and can be used repeatedly. The increased catalytic performance is attributed to the hydrophobic surface and larger pore size of the new catalyst. It can effectively accommodate long chain fatty acids and reject formed water, making the active sites easily accessible.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000275566700024	Publication Date	2009-09-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0920-5861;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.636	Times cited	132	Open Access
	Notes				Approved	Most recent IF: 4.636; 2010 IF: 2.993
	Call Number	UA @ lucian @ c:irua:81739			Serial	2706
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	Author	Van de Vyver, S.; Geboers, J.; Dusselier, M.; Schepers, H.; Vosch, T.; Zhang, L.; Van Tendeloo, G.; Jacobs, P.A.; Sels, B.F.
	Title	Selective bifunctional catalytic conversion of cellulose over reshaped ni particles at the tip of carbon nanofibers			Type	A1 Journal article
	Year	2010	Publication	Chemsuschem	Abbreviated Journal	Chemsuschem
	Volume	3	Issue	6	Pages	698-701
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000279753300011	Publication Date	2010-05-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1864-5631;1864-564X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.226	Times cited	136	Open Access
	Notes				Approved	Most recent IF: 7.226; 2010 IF: 6.325
	Call Number	UA @ lucian @ c:irua:95657			Serial	2962
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	Author	Cambré, S.; Schoeters, B.; Luyckx, S.; Goovaerts, E.; Wenseleers, W.
	Title	Experimental observation of single-file water filling of thin single-wall carbon nanotubes down to chiral index (5,3)			Type	A1 Journal article
	Year	2010	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	104	Issue	20	Pages	207401,1-207401,4
	Keywords	A1 Journal article; Particle Physics Group; Nanostructured and organic optical and electronic materials (NANOrOPT); Condensed Matter Theory (CMT)
	Abstract	Single-file transport of water into carbon nanotubes is experimentally demonstrated for the first time through the splitting of the radial breathing mode (RBM) vibration in Raman spectra of bile salt solubilized tubes when both empty (closed) and water-filled (open-ended) tubes are present. D2O filling is observed for a wide range of diameters, d, down to very thin tubes [e.g., (5,3) tube, d=0.548 nm] for which only a single water molecule fits in the cross section of the internal nanotube channel. The shift in RBM frequency upon filling is found to display a very complex dependence on nanotube diameter and chirality, in support of a different yet well-defined ordering and orientation of water molecules at room temperature. Large shifts of the electronic transitions are also observed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000277945900051	Publication Date	2010-05-17
	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	140	Open Access
	Notes	; Financial support from the Fund for Scientific Research Flanders, Belgium (FWO-Vlaanderen) (Project No. G.0129.07), is gratefully acknowledged. ;			Approved	Most recent IF: 8.462; 2010 IF: 7.622
	Call Number	UA @ lucian @ c:irua:83383			Serial	1141
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	Author	Avetisyan, A.A.; Partoens, B.; Peeters, F.M.
	Title	Stacking order dependent electric field tuning of the band gap in graphene multilayers			Type	A1 Journal article
	Year	2010	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	81	Issue	11	Pages	115432,1-115432,7
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The effect of different stacking order of graphene multilayers on the electric field induced band gap is investigated. We considered a positively charged top and a negatively charged back gate in order to independently tune the band gap and the Fermi energy of three and four layer graphene systems. A tight-binding approach within a self-consistent Hartree approximation is used to calculate the induced charges on the different graphene layers. We found that the gap for trilayer graphene with the ABC stacking is much larger than the corresponding gap for the ABA trilayer. Also we predict that for four layers of graphene the energy gap strongly depends on the choice of stacking, and we found that the gap for the different types of stacking is much larger as compared to the case of Bernal stacking. Trigonal warping changes the size of the induced electronic gap by approximately 30% for intermediate and large values of the induced electron density.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000276248800145	Publication Date	2010-03-19
	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	142	Open Access
	Notes	; ;			Approved	Most recent IF: 3.836; 2010 IF: 3.774
	Call Number	UA @ lucian @ c:irua:82274			Serial	3148
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	Author	Idrissi, H.; Renard, K.; Schryvers, D.; Jacques, P.J.
	Title	On the relationship between the twin internal structure and the work-hardening rate of TWIP steels			Type	A1 Journal article
	Year	2010	Publication	Scripta materialia	Abbreviated Journal	Scripta Mater
	Volume	63	Issue	10	Pages	961-964
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	FeMnC and FeMnSiAl TWIP steels deformed under the same conditions exhibit different work-hardening rates. The present study investigates the microstructure of plastically deformed FeMnC and FeMnSiAl samples, particularly the internal structure of the mechanically generated twins and their topology at the grain scale. Twins in the FeMnC steel are finer and full of sessile dislocations, rendering this material distinctly stronger with an improved work-hardening rate.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000282461800003	Publication Date	2010-07-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-6462;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.747	Times cited	145	Open Access
	Notes	Iap			Approved	Most recent IF: 3.747; 2010 IF: 2.820
	Call Number	UA @ lucian @ c:irua:84472			Serial	2452
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	Author	Verhulst, A.; Sorée, B.; Leonelli, D.; Vandenberghe, W.G.; Groeseneken, G.
	Title	Modeling the single-gate, double-gate, and gate-all-around tunnel field-effect transistor			Type	A1 Journal article
	Year	2010	Publication	Journal Of Applied Physics	Abbreviated Journal	J Appl Phys
	Volume	107	Issue	2	Pages	024518,1-024518,8
	Keywords	A1 Journal article; Electron Microscopy for Materials Science (EMAT);
	Abstract	Tunnel field-effect transistors (TFETs) are potential successors of metal-oxide-semiconductor FETs because scaling the supply voltage below 1 V is possible due to the absence of a subthreshold-swing limit of 60 mV/decade. The modeling of the TFET performance, however, is still preliminary. We have developed models allowing a direct comparison between the single-gate, double-gate, and gate-all-around configuration at high drain voltage, when the drain-voltage dependence is negligible, and we provide improved insight in the TFET physics. The dependence of the tunnel current on device parameters is analyzed, in particular, the scaling with gate-dielectric thickness, channel thickness, and dielectric constants of gate dielectric and channel material. We show that scaling the gate-dielectric thickness improves the TFET performance more than scaling the channel thickness and that improvements are often overestimated. There is qualitative agreement between our model and our experimental data.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000274180600122	Publication Date	2010-01-28
	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	150	Open Access
	Notes				Approved	Most recent IF: 2.068; 2010 IF: 2.079
	Call Number	UA @ lucian @ c:irua:89507			Serial	2146
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	Author	Esken, D.; Turner, S.; Lebedev, O.I.; Van Tendeloo, G.; Fischer, R.A.
	Title	Au@ZIFs: stabilization and encapsulation of cavity-size matching gold clusters inside functionalized Zeolite Imidazolate Frameworks, ZIFs			Type	A1 Journal article
	Year	2010	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	22	Issue	23	Pages	6393-6401
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The selective formation and stabilization of very small, naked metal particles inside the cavities of metal organic frameworks (MOFs) and the simultaneous realization of an even distribution of the particles throughout the crystalline MOF host matrix over a wide range of metal loading are challenging goals. MOFs reveal high specific surface areas, tunable pore sizes, and organic linkers, which are able to interact with guests. The chemically very robust zeolite imidazolate frameworks (ZIFs) are a subclass of MOFs. We chose the microporous sodalite-like ZIF-8 (Zn(MelM)(2); IM = imidazolate) and ZIF-90 (Zn(ICA)(2); ICA = imidazolate-2-carboxyaldehyde) as host matrices to influence the dispersion of imbedded gold nanoparticles (Au NPs). The metal loading was achieved via gas phase infiltration of [Au(CO)Cl] followed by a thermal hydrogenation step to form the Au NPs. Low-dose high-resolution transmission electron microscopy ((HR)TEM) and electron tomography reveal a homogeneous distribution of Au NPs throughout the ZIF matrix. The functional groups of ZIF-90 direct the anchoring of intermediate Au species and stabilize drastically smaller and quite monodisperse Au NPs in contrast to the parent not functionalized ZIF-8. The particles can be very small, match the cavity size and approach defined molecular clusters of magic numbers, i.e., Au(55), independently from the level of loading. Post-synthetic oxidation of the aldehyde groups to yield alkyl esters by the adjacent, catalytically active metal NPs is presented as a new concept of encapsulating nanoparticles inside MOFs and allows multiple steps of metal loadings without decomposition of the MOF.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000284975100025	Publication Date	2010-11-12
	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	194	Open Access
	Notes	Esteem 026019			Approved	Most recent IF: 9.466; 2010 IF: 6.400
	Call Number	UA @ lucian @ c:irua:95530			Serial	208
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	Author	Barbier, M.; Vasilopoulos, P.; Peeters, F.M.
	Title	Extra Dirac points in the energy spectrum for superlattices on single-layer graphene			Type	A1 Journal article
	Year	2010	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	81	Issue	7	Pages	075438,1-075438,7
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We investigate the emergence of extra Dirac points in the electronic structure of a periodically spaced barrier system, i.e., a superlattice, on single-layer graphene, using a Dirac-type Hamiltonian. Using square barriers allows us to find analytic expressions for the occurrence and location of these new Dirac points in k space and for the renormalization of the electron velocity near them in the low-energy range. In the general case of unequal barrier and well widths the new Dirac points move away from the Fermi level and for given heights of the potential barriers there is a minimum and maximum barrier width outside of which the new Dirac points disappear. The effect of these extra Dirac points on the density of states and on the conductivity is investigated.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000274998200133	Publication Date	2010-02-25
	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	211	Open Access
	Notes	; This work was supported by IMEC, the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), the Brazilian Council for Research (CNPq), and the Canadian NSERC Grant No. OGP0121756. ;			Approved	Most recent IF: 3.836; 2010 IF: 3.774
	Call Number	UA @ lucian @ c:irua:81767			Serial	1159
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	Author	Ao, Z.M.; Peeters, F.M.
	Title	High-capacity hydrogen storage in Al-adsorbed graphene			Type	A1 Journal article
	Year	2010	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	81	Issue	20	Pages	205406,1-205406,7
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A high-capacity hydrogen storage mediumAl-adsorbed grapheneis proposed based on density-functional theory calculations. We find that a graphene layer with Al adsorbed on both sides can store hydrogen up to 13.79 wt % with average adsorption energy −0.193 eV/H2. Its hydrogen storage capacity is in excess of 6 wt %, surpassing U. S. Department of Energy (DOEs) target. Based on the binding-energy criterion and molecular-dynamics calculations, we find that hydrogen storage can be recycled at near ambient conditions. This high-capacity hydrogen storage is due to the adsorbed Al atoms that act as bridges to link the electron clouds of the H2 molecules and the graphene layer. As a consequence, a two-layer arrangement of H2 molecules is formed on each side of the Al-adsorbed graphene layer. The H2 concentration in the hydrogen storage medium can be measured by the change in the conductivity of the graphene layer.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000278144500082	Publication Date	2010-05-06
	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	219	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO) and the Belgian Science Policy (IAP). ;			Approved	Most recent IF: 3.836; 2010 IF: 3.774
	Call Number	UA @ lucian @ c:irua:83386			Serial	1422
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	Author	Idrissi, H.; Renard, K.; Ryelandt, L.; Schryvers, D.; Jacques, P.J.
	Title	On the mechanism of twin formation in FeMnC TWIP steels			Type	A1 Journal article
	Year	2010	Publication	Acta materialia	Abbreviated Journal	Acta Mater
	Volume	58	Issue	7	Pages	2464-2476
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Although it is well known that FeMnC TWIP steels exhibit high work-hardening rates, the elementary twinning mechanisms controlling the plastic deformation of these steels have still not been characterized. The aim of the present study is to analyse the extended defects related to the twinning occurrence using transmission electron microscopy. Based on these observations, the very early stage of twin nucleation can be attributed to the pole mechanism with deviation proposed by Cohen and Weertman or to the model of Miura, Takamura and Narita, while the twin growth is controlled by the pole mechanism proposed by Venables. High densities of sessile Frank dislocations are observed within the twins at the early stage of deformation, which can affect the growth and the stability of the twins, but also the strength of these twins and their interactions with the gliding dislocations present in the matrix. This experimental evidence is discussed and compared to recent results in order to relate the defects analysis to the macroscopic behaviour of this category of material.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000276523200018	Publication Date	2010-01-25
	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	244	Open Access
	Notes	Iap			Approved	Most recent IF: 5.301; 2010 IF: 3.791
	Call Number	UA @ lucian @ c:irua:82270			Serial	2441
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	Author	Meilikhov, M.; Yusenko, K.; Esken, D.; Turner, S.; Van Tendeloo, G.; Fischer, R.A.
	Title	Metals@MOFs – loading MOFs with metal nanoparticles for hybrid functions			Type	A1 Journal article
	Year	2010	Publication	European journal of inorganic chemistry	Abbreviated Journal	Eur J Inorg Chem
	Volume	2010	Issue	24	Pages	3701-3714
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Metalorganic frameworks (MOFs) as well as porous coordination polymers (PCPs) are porous, organicinorganic hybrid solids with zeolite-like structures and properties. Due to their extraordinarily high surface area and well defined pore structure MOFs can be used for the stabilization of metal nanoparticles with adjustable size. The embedded metal nanoparticles are still accessible for other reagents due to the high porosity of the MOF systems. This fact makes metal@MOF systems especially interesting for heterogeneous catalysis, gas storage and chemical sensing. This review compiles the cases of metal nanoparticles supported by or embedded into MOFs reported so far and the main aspects and problems associated with these novel nanocomposite systems. The determination of the dispersion and the location of the particles at the MOF support, the control of the loading degree and its effect on the catalytic activity of the system are discussed as well as the partial degradation of the MOF structure upon particle formation. Examples of the introduction of stabilizing groups into the MOF network that direct the loading and can influence the size and shape of the embedded particles are still rare and point into the possible direction of future investigations. Finally, the formation of bimetallic nanoparticles, which are stabilized and supported by a MOF network, will also be reviewed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000281684300001	Publication Date	2010-07-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1434-1948;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.444	Times cited	366	Open Access
	Notes	Esteem 026019			Approved	Most recent IF: 2.444; 2010 IF: 2.910
	Call Number	UA @ lucian @ c:irua:85495			Serial	2014
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	Author	Leenaerts, O.; Peelaers, H.; Hernández-Nieves, A.D.; Partoens, B.; Peeters, F.M.
	Title	First-principles investigation of graphene fluoride and graphane			Type	A1 Journal article
	Year	2010	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	82	Issue	19	Pages	195436,1-195436,6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Different stoichiometric configurations of graphane and graphene fluoride are investigated within density-functional theory. Their structural and electronic properties are compared, and we indicate the similarities and differences among the various configurations. Large differences between graphane and graphene fluoride are found that are caused by the presence of charges on the fluorine atoms. A configuration that is more stable than the boat configuration is predicted for graphene fluoride. We also perform GW calculations for the electronic band gap of both graphene derivatives. These band gaps and also the calculated Youngs moduli are at variance with available experimental data. This might indicate that the experimental samples contain a large number of defects or are only partially covered with H or F.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000284399200004	Publication Date	2010-11-18
	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	367	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-V1), the NOI-BOF of the University of Antwerp, the Belgian Science Policy (IAP), and the collaborative project FWO-MINCyT (Grant No. FW/08/01). A.D.H. also acknowledges support from ANPCyT (Grant No. PICT 2008-2236). ;			Approved	Most recent IF: 3.836; 2010 IF: 3.774
	Call Number	UA @ lucian @ c:irua:86916			Serial	1212
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	Author	Verbeeck, J.; Tian, H.; Schattschneider, P.
	Title	Production and application of electron vortex beams			Type	A1 Journal article
	Year	2010	Publication	Nature	Abbreviated Journal	Nature
	Volume	467	Issue	7313	Pages	301-304
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Vortex beams (also known as beams with a phase singularity) consist of spiralling wavefronts that give rise to angular momentum around the propagation direction. Vortex photon beams are widely used in applications such as optical tweezers to manipulate micrometre-sized particles and in micro-motors to provide angular momentum1, 2, improving channel capacity in optical3 and radio-wave4 information transfer, astrophysics5 and so on6. Very recently, an experimental realization of vortex beams formed of electrons was demonstrated7. Here we describe the creation of vortex electron beams, making use of a versatile holographic reconstruction technique in a transmission electron microscope. This technique is a reproducible method of creating vortex electron beams in a conventional electron microscope. We demonstrate how they may be used in electron energy-loss spectroscopy to detect the magnetic state of materials and describe their properties. Our results show that electron vortex beams hold promise for new applications, in particular for analysing and manipulating nanomaterials, and can be easily produced.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000281824900033	Publication Date	2010-09-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0028-0836;1476-4687;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	40.137	Times cited	626	Open Access
	Notes	Esteem 026019; Fwo			Approved	Most recent IF: 40.137; 2010 IF: 36.104
	Call Number	UA @ lucian @ c:irua:84878UA @ admin @ c:irua:84878			Serial	2720
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