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	Author	Barbier, M.; Papp, G.; Peeters, F.M.
	Title	Snake states and Klein tunneling in a graphene Hall bar with a pn-junction			Type	A1 Journal article
	Year	2012	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	100	Issue	16	Pages	163121-163121,3
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The Hall (R-H) and bend (R-B) resistances of a graphene Hall bar structure containing a pn-junction are calculated when in the ballistic regime. The simulations are done using the billiard model. Introducing a pn-junction-dividing the Hall bar geometry in two regions-leads to two distinct regimes exhibiting very different physics: (1) both regions are of n-type and (2) one region is n-type and the other p-type. In regime (1), a “Hall plateau”-an enhancement of the resistance-appears for R-H. On the other hand, in regime (2), we found a negative R-H, which approaches zero for large B. The bend resistance is highly asymmetric in regime (2) and the resistance increases with increasing magnetic field B in one direction while it reduces to zero in the other direction. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4704667]
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000303128500064	Publication Date	2012-04-20
	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	20	Open Access
	Notes	; This work was supported by IMEC, the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the ESF-EuroGRAPHENE project CONGRAN. ;			Approved	Most recent IF: 3.411; 2012 IF: 3.794
	Call Number	UA @ lucian @ c:irua:99129			Serial	3047
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	Author	Shakouri, K.; Szafran, B.; Esmaeilzadeh, M.; Peeters, F.M.
	Title	Effective spin-orbit interaction Hamiltonian for quasi-one-dimensional quantum rings			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	85	Issue	16	Pages	165314-165314,8
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The effective Hamiltonian for an electron in a quasi-one-dimensional quantum ring in the presence of spin-orbit interactions is derived. We demonstrate that, when both coupling types are simultaneously present, the effective Hamiltonian derived by the lowest-radial-state approximation produces energy spectra and charge densities which deviate strongly from the exact ones. For equal Rashba and Dresselhaus coupling constants the lowest-radial-state approximation opens artifactal avoided crossings in the energy spectra and deforms the circular symmetry of the confined charge densities. In this case, there does not exist a ring thin enough to justify the restriction to the lowest radially quantized energy state. We derive the effective Hamiltonian accounting for both the lowest and the first excited radial states, and show that the inclusion of the latter restores the correct features of the exact solution. Relation of this result to the states of a quantum wire is also discussed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000303068800006	Publication Date	2012-04-20
	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	32	Open Access
	Notes	; This work was partially supported by Polish Ministry of Science and Higher Education and its grants for Scientific Research. ;			Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:98258			Serial	855
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	Author	Berdiyorov, G.R.; de Romaguera, A.R.C.; Milošević, M.V.; Doria, M.M.; Covaci, L.; Peeters, F.M.
	Title	Dynamic and static phases of vortices under an applied drive in a superconducting stripe with an array of weak links			Type	A1 Journal article
	Year	2012	Publication	European physical journal : B : condensed matter and complex systems	Abbreviated Journal	Eur Phys J B
	Volume	85	Issue	4	Pages	130-130,8
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Static and dynamic properties of superconducting vortices in a superconducting stripe with a periodic array of weakly-superconducting (or normal metal) regions are studied in the presence of external magnetic and electric fields. The time-dependent Ginzburg-Landau theory is used to describe the electronic transport, where the anisotropy is included through the spatially-dependent critical temperature T-c. Superconducting vortices penetrating into the weak-superconducting region with smaller T-c are more mobile than the ones in the strong superconducting regions. We observe periodic entrance and exit of vortices which reside in the weak link for some short interval. The mobility of the weakly-pinned vortices can be reduced by increasing the uniform applied magnetic field leading to distinct features in the voltage vs. magnetic field response of the system.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Berlin	Editor
	Language		Wos	000303545400013	Publication Date	2012-04-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1434-6028;1434-6036;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.461	Times cited	32	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), the bilateral programme between Flanders and Brazil. G.R.B. and L.C. acknowledge individual support from FWO-Vl. A.R.de C.R. acknowledges CNPq and FACEPE for financial support. ;			Approved	Most recent IF: 1.461; 2012 IF: 1.282
	Call Number	UA @ lucian @ c:irua:98267			Serial	761
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	Author	Morozov, V.; Arakcheeva, A.; Redkin, B.; Sinitsyn, V.; Khasanov, S.; Kudrenko, E.; Raskina, M.; Lebedev, O.; Van Tendeloo, G.
	Title	Na_2/7Gd_4/7MoO₄ : a modulated scheelite-type structure and conductivity properties			Type	A1 Journal article
	Year	2012	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	51	Issue	9	Pages	5313-5324
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Scheelite-type compounds with the general formula (A1,A2)n[(B1,B2)O4]m (2/3 ≤ n/m ≤ 3/2) are the subject of large interest owing to their stability, relatively simple preparation, and optical properties. The creation of cation vacancies (□) in the scheelite-type framework and the ordering of A cations and vacancies can be a new factor in controlling the scheelite-type structure and properties. For a long time, cation-deficient Nd3+:M2/7Gd4/7□1/7MoO4 (M = Li, Na) compounds were considered as potential lasers with diode pumping. They have a defect scheelite-type 3D structure (space group I41/a) with a random distribution of Li+(Na+), Gd3+, and vacancies in the crystal. A Na2/7Gd4/7MoO4 single crystal with scheelite-type structure has been grown by the Czochralski method. Transmission electron microscopy revealed that Na2/7Gd4/7MoO4 has a (3 + 2)D incommensurately modulated structure. The (3 + 2)D incommensurately modulated scheelite-type cation-deficient structure of Na2/7Gd4/7MoO4 [super space group I4̅ (αβ0,βα0)00] has been solved from single-crystal diffraction data. The solution of the (3 + 2)D incommensurately modulated structure revealed the partially disordered distribution of vacancies and Na and Gd cations. High-temperature conductivity measurements performed along the [100] and [001] orientation of the single crystal revealed that the conductivity of Na2/7Gd4/7MoO4 at T = 973 K equals σ = 1.13 × 105 Ω1 cm1.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000303952900055	Publication Date	2012-04-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0020-1669;1520-510X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.857	Times cited	37	Open Access
	Notes				Approved	Most recent IF: 4.857; 2012 IF: 4.593
	Call Number	UA @ lucian @ c:irua:98385			Serial	3547
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	Author	Sliem, M.A.; Turner, S.; Heeskens, D.; Kalidindi, S.B.; Van Tendeloo, G.; Muhler, M.; Fischer, R.A.
	Title	Preparation, microstructure characterization and catalytic performance of Cu/ZnO and ZnO/Cu composite nanoparticles for liquid phase methanol synthesis			Type	A1 Journal article
	Year	2012	Publication	Physical chemistry, chemical physics	Abbreviated Journal	Phys Chem Chem Phys
	Volume	14	Issue	22	Pages	8170-8178
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Stearate@Cu/ZnO nanocomposite particles with molar ratios of ZnO ∶ Cu = 2 and 5 are synthesized by reduction of the metalorganic Cu precursor [Cu{(OCH(CH3)CH2N(CH3)2)}2] in the presence of stearate@ZnO nanoparticles. In the case of ZnO ∶ Cu = 5, high-angle annular dark field-scanning transmission electron microscopy (HAADF-STEM) combined with electron-energy-loss-spectroscopy (EELS) as well as attenuated total reflection Fourier transform infrared (ATR-IR) spectroscopy are used to localize the small amount of Cu deposited on the surface of 35 nm sized stearate@ZnO particles. For ZnO ∶ Cu = 2, the microstructure of the nanocomposites after catalytic activity testing is characterized by HAADF-STEM techniques. This reveals the construction of large Cu nanoparticles (2050 nm) decorated by small ZnO nanoparticles (35 nm). The catalytic activity of both composites for the synthesis of methanol from syn gas is evaluated.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000304102200033	Publication Date	2012-04-16
	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	16	Open Access
	Notes	Fwo			Approved	Most recent IF: 4.123; 2012 IF: 3.829
	Call Number	UA @ lucian @ c:irua:98377			Serial	2702
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	Author	Neyts, E.C.
	Title	PECVD growth of carbon nanotubes : from experiment to simulation			Type	A1 Journal article
	Year	2012	Publication	Journal of vacuum science and technology: B: micro-electronics processing and phenomena	Abbreviated Journal
	Volume	30	Issue	3	Pages	030803-030803,17
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Nanostructured carbon materials show a tremendous variety in atomic structure, morphology, properties, and applications. As all properties are ultimately determined by the structure of the material, a thorough understanding of the growth mechanisms that give rise to the particular structure is critical. On many occasions, it has been shown that plasma enhanced growth can be strongly beneficial. This review will describe the authors current understanding of plasma enhanced growth of carbon nanotubes, the prototypical example of nanostructured carbon materials, as obtained from experiments, simulations, and modeling. Specific emphasis is put on where experiments and computational approaches correspond, and where they differ. Also, the current status on simulating PECVD growth of some other carbon nanomaterials is reviewed, including amorphous carbon, graphene, and metallofullerenes. Finally, computational challenges with respect to the simulation of PECVD growth are identified.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000305042000010	Publication Date	2012-04-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2166-2746;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	42	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:97166			Serial	2570
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	Author	Van Noyen, J.; Middelkoop, V.; Buysse, C.; Kovalevsky, A.; Snijkers, F.; Buekenhoudt, A.; Mullens, S.; Luyten, J.; Kretzschmar, J.; Lenaerts, S.
	Title	Fabrication of perovskite capillary membranes for high temperature gas separation			Type	A1 Journal article
	Year	2012	Publication	Catalysis today	Abbreviated Journal	Catal Today
	Volume	193	Issue	1	Pages	172-178
	Keywords	A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Oxygen-permeable perovskites with mixed ionic-electronic conducting properties can play an important role in carbon capture and storage techniques. Their ability to separate oxygen from air is needed, more specifically, in oxy-fuel and pre-combustion technologies. In this work, the first detailed comparative analysis and new results are reported on four types of Ba0.5Sr0.5Co0.8Fe0.2O3-delta (BSCF) capillary membranes: non-coated sulphur-containing; catalyst-coated sulphur-containing; non-coated sulphur-free and catalyst-coated sulphur-free. The fabrication of BSCF capillaries by a spinning technique based on phase inversion is further discussed and their oxygen separation performances are interpreted. The comparison of the performance of these different generations of BSCF capillaries of similar dimensions demonstrates a significant impact of the sulphur contamination on both the oxygen flux through the membrane and the activation energy of the overall oxygen transport mechanism. Careful attention is paid to the effect of activation layers on both sulphur-free and sulphur-containing types of capillaries. Additional long-term testing of the sulphur-free BSCF capillaries is presented, where partial decomposition of the membrane surface was observed due to kinetic demixing. (c) 2012 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000308675900025	Publication Date	2012-04-15
	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	9	Open Access
	Notes	; The authors want to express their thanks to the VITO personnel for their continuous support, especially B. Molenberghs, W. Doyen (Separation and Conversion Technology, VITO), R. Kemps, M. Mertens, I. Thijs, M. Schoeters, W. Bouwen and J. Cooymans (Materials Department, VITO). C. Buysse thankfully acknowledges a Ph.D. scholarship provided by VITO and the University of Antwerp. This work is performed in the framework of the German Helmholtz Alliance Project “MEM-BRAIN”, aiming at the development of gas separation membranes for zero-emission fossil fuel power plants. ;			Approved	Most recent IF: 4.636; 2012 IF: 2.980
	Call Number	UA @ admin @ c:irua:101797			Serial	5951
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	Author	Schattschneider, P.; Schaffer, B.; Ennen, I.; Verbeeck, J.
	Title	Mapping spin-polarized transitions with atomic resolution			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	85	Issue	13	Pages	134422-134422,8
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The coupling of angstrom-sized electron probes with spin-polarized electronic transitions shows that the inelastically scattered probe electron is in a mixed state containing electron vortices with nonzero orbital angular momentum. These electrons create an asymmetric intensity distribution in energy filtered diffraction patterns, giving access to maps of the magnetic moments with atomic resolution. A feasibility experiment shows evidence of the predicted effect. Potential applications are column-by-column maps of magnetic ordering, and the creation of angstrom-sized free electrons with orbital angular momentum by inelastic scattering in a thin ferromagnetic foil.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000302608100004	Publication Date	2012-04-11
	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	41	Open Access
	Notes	The authors thank A. Bleloch, S. Loffler, and P. Nellist for fruitful discussions and suggestions. P.S. acknowledges financial support from the Austrian Science Fund, Project No. I543-N20. The support of the EPSRC for the SuperSTEM facility is gratefully acknowledged. J.V. acknowledges support from the European Research Council under the 7th Framework Program (FP7), ERC Grant No. 246791-COUNTATOMS and ERC Starting Grant No. 278510-VORTEX. ECASJO_;			Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:97390UA @ admin @ c:irua:97390			Serial	1945
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	Author	Clem, J.R.; Mawatari, Y.; Berdiyorov, G.R.; Peeters, F.M.
	Title	Predicted field-dependent increase of critical currents in asymmetric superconducting nanocircuits			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	85	Issue	14	Pages	144511-144511,16
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The critical current of a thin superconducting strip of width W much larger than the Ginzburg-Landau coherence length xi but much smaller than the Pearl length Lambda = 2 lambda(2)/d is maximized when the strip is straight with defect-free edges. When a perpendicular magnetic field is applied to a long straight strip, the critical current initially decreases linearly with H but then decreases more slowly with H when vortices or antivortices are forced into the strip. However, in a superconducting strip containing sharp 90 degrees or 180 degrees turns, the zero-field critical current at H = 0 is reduced because vortices or antivortices are preferentially nucleated at the inner corners of the turns, where current crowding occurs. Using both analytic London-model calculations and time-dependent Ginzburg-Landau simulations, we predict that in such asymmetric strips the resulting critical current can be increased by applying a perpendicular magnetic field that induces a current-density contribution opposing the applied current density at the inner corners. This effect should apply to all turns that bend in the same direction.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000302611100004	Publication Date	2012-04-10
	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	40	Open Access
	Notes	; This research, supported in part by the US Department of Energy, Office of Basic Energy Science, Division of Materials Sciences and Engineering, was performed in part at the Ames Laboratory, which is operated for the US Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. This work also was supported in part by the Flemish Science Foundation (FWO-Vlaanderen) and the Belgian Science Policy (IAP). G.R.B. acknowledges individual support from FWO-Vlaanderen. ;			Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:98263			Serial	2695
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	Author	De Schepper, E.; Van Passel, S.; Manca, J.; Thewys, T.
	Title	Combining photovoltaics and sound barriers : a feasibility study			Type	A1 Journal article
	Year	2012	Publication	Renewable Energy	Abbreviated Journal	Renew Energ
	Volume	46	Issue		Pages	297-303
	Keywords	A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
	Abstract	In the light of global warming, renewables such as solar photovoltaics (PV) are important to decrease greenhouse gas emissions. An important issue regarding implementation of solar panels on large scale, is the limited available area. Therefore, it can be interesting to combine PV with alternative applications, as a ways of not requiring “additional” space. One example is a photovoltaic noise barrier (PVNB), where a noise barrier located along a highway or railway is used as substructure for PV modules. Even though a PVNB is not a novel concept, the absence of economic assessments in literature can be a barrier to their wider implementation. In this paper, a feasibility study of a PVNB in Belgium is conducted, using a cost benefit analysis including a Monte Carlo sensitivity analysis. Besides purely economic aspects, also ecological benefits are monetized. The sensitivity analysis indicates that the ecological benefit of noise reduction, which is valuated using a noise sensitivity depreciation index applied to real estate prices, is of major importance in determining the net present value of the case study. On the contrary, the impact of reducing CO2 emissions seems to be negligible when expressed in monetary terms. The results suggest that the PVNB as a whole and also its separate components -.e. the PV array and the noise barrier can be profitable projects, when ecological benefits are included. (C) 2012 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000305169400036	Publication Date	2012-04-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0960-1481	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.357	Times cited	12	Open Access
	Notes	; ;			Approved	Most recent IF: 4.357; 2012 IF: 2.989
	Call Number	UA @ admin @ c:irua:127555			Serial	6170
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	Author	Simon, Q.; Barreca, D.; Gasparotto, A.; Maccato, C.; Montini, T.; Gombac, V.; Fornasiero, P.; Lebedev, O.I.; Turner, S.; Van Tendeloo, G.
	Title	Vertically oriented CuO/ZnO nanorod arrays : from plasma-assisted synthesis to photocatalytic H₂ production			Type	A1 Journal article
	Year	2012	Publication	Journal of materials chemistry	Abbreviated Journal	J Mater Chem
	Volume	22	Issue	23	Pages	11739-11747
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	1D CuO/ZnO nanocomposites were grown on Si(100) substrates by means of an original two-step synthetic strategy. ZnO nanorod (NR) arrays were initially deposited by plasma enhanced-chemical vapor deposition (PE-CVD) from an ArO2 atmosphere. Subsequently, tailored amounts of CuO were dispersed over zinc oxide matrices by radio frequency (RF)-sputtering of Cu from Ar plasmas, followed by thermal treatment in air. A thorough characterization of the obtained systems was carried out by X-ray photoelectron and X-ray excited-Auger electron spectroscopies (XPS and XE-AES), glancing incidence X-ray diffraction (GIXRD), field emission-scanning electron microscopy (FE-SEM), energy dispersive X-ray spectroscopy (EDXS), atomic force microscopy (AFM), transmission electron microscopy (TEM), electron diffraction (ED) and energy filtered-TEM (EF-TEM). Pure and highly oriented CuO/ZnO NR arrays, free from ternary ZnCuO phases and characterized by a copper(II) oxide content controllable as a function of the adopted RF-power, were successfully obtained. Interestingly, the structural relationships between the two oxides at the CuO/ZnO interface were found to depend on the overall CuO loading. The obtained nanocomposites displayed promising photocatalytic performances in H2 production by reforming of ethanolwater solutions under simulated solar illumination, paving the way to the sustainable conversion of solar light into chemical energy.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000304351400046	Publication Date	2012-04-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0959-9428;1364-5501;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	74	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:98382			Serial	3840
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	Author	Lajevardipour, A.; Neek-Amal, M.; Peeters, F.M.
	Title	Thermomechanical properties of graphene : valence force field model approach			Type	A1 Journal article
	Year	2012	Publication	Journal of physics : condensed matter	Abbreviated Journal	J Phys-Condens Mat
	Volume	24	Issue	17	Pages	175303-175303,8
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using the valence force field model of Perebeinos and Tersoff (2009 Phys. Rev. B 79 241409(R)), different energy modes of suspended graphene subjected to tensile or compressive strain are studied. By carrying out Monte Carlo simulations it is found that: (i) only for small strains (vertical bar epsilon vertical bar (sic) 0.02) is the total energy symmetrical in the strain, while it behaves completely differently beyond this threshold; (ii) the important energy contributions in stretching experiments are stretching, angle bending, an out-of-plane term, and a term that provides repulsion against pi-pi misalignment; (iii) in compressing experiments the two latter terms increase rapidly, and beyond the buckling transition stretching and bending energies are found to be constant; (iv) from stretching-compressing simulations we calculated the Young's modulus at room temperature 350 +/- 3.15 N m(-1), which is in good agreement with experimental results (340 +/- 50 N m(-1)) and with ab initio results (322-353) N m(-1); (v) molar heat capacity is estimated to be 24.64 J mol(-1) K-1 which is comparable with the Dulong-Petit value, i. e. 24.94 J mol(-1) K-1, and is almost independent of the strain; (vi) nonlinear scaling properties are obtained from height-height correlations at finite temperature; (vii) the used valence force field model results in a temperature independent bending modulus for graphene, and (viii) the Gruneisen parameter is estimated to be 0.64.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000303499700012	Publication Date	2012-04-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-8984;1361-648X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.649	Times cited	29	Open Access
	Notes	; We acknowledge helpful comments by V Perebeinos, S Costamagna, A Fasolino and J H Los. This work was supported by the Flemish science foundation (FWO-Vl) and the Belgium Science Policy (IAP). ;			Approved	Most recent IF: 2.649; 2012 IF: 2.355
	Call Number	UA @ lucian @ c:irua:99123			Serial	3639
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	Author	Chen, Y.; Shanenko, A.A.; Perali, A.; Peeters, F.M.
	Title	Superconducting nanofilms : molecule-like pairing induced by quantum confinement			Type	A1 Journal article
	Year	2012	Publication	Journal of physics : condensed matter	Abbreviated Journal	J Phys-Condens Mat
	Volume	24	Issue	18	Pages	185701-185701,8
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Quantum confinement of the perpendicular motion of electrons in single-crystalline metallic superconducting nanofilms splits the conduction band into a series of single-electron subbands. A distinctive feature of such a nanoscale multi-band superconductor is that the energetic position of each subband can vary significantly with changing nanofilm thickness, substrate material, protective cover and other details of the fabrication process. It can occur that the bottom of one of the available subbands is situated in the vicinity of the Fermi level. We demonstrate that the character of the superconducting pairing in such a subband changes dramatically and exhibits a clear molecule-like trend, which is very similar to the well-known crossover from the Bardeen-Cooper-Schrieffer regime to Bose-Einstein condensation (BCS-BEC) observed in trapped ultracold fermions. For Pb nanofilms with thicknesses of 4 and 5 monolayers (MLs) this will lead to a spectacular scenario: up to half of all the Cooper pairs nearly collapse, shrinking in the lateral size (parallel to the nanofilm) down to a few nanometers. As a result, the superconducting condensate will be a coherent mixture of almost molecule-like fermionic pairs with ordinary, extended Cooper pairs.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000303500900018	Publication Date	2012-04-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-8984;1361-648X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.649	Times cited	26	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl). AAS thanks A Bianconi, M D Croitoru and A V Vagov for useful discussions. AAS acknowledges the hospitality and fruitful interactions with G C Strinati, P Pieri and D Neilson during his visit to the University of Camerino, supported by the School of Advanced Studies of the University of Camerino. ;			Approved	Most recent IF: 2.649; 2012 IF: 2.355
	Call Number	UA @ lucian @ c:irua:98223			Serial	3357
Permanent link to this record



	Author	Mees, M.J.; Pourtois, G.; Neyts, E.C.; Thijsse, B.J.; Stesmans, A.
	Title	Uniform-acceptance force-bias Monte Carlo method with time scale to study solid-state diffusion			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	85	Issue	13	Pages	134301-134301,9
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Monte Carlo (MC) methods have a long-standing history as partners of molecular dynamics (MD) to simulate the evolution of materials at the atomic scale. Among these techniques, the uniform-acceptance force-bias Monte Carlo (UFMC) method [ G. Dereli Mol. Simul. 8 351 (1992)] has recently attracted attention [ M. Timonova et al. Phys. Rev. B 81 144107 (2010)] thanks to its apparent capacity of being able to simulate physical processes in a reduced number of iterations compared to classical MD methods. The origin of this efficiency remains, however, unclear. In this work we derive a UFMC method starting from basic thermodynamic principles, which leads to an intuitive and unambiguous formalism. The approach includes a statistically relevant time step per Monte Carlo iteration, showing a significant speed-up compared to MD simulations. This time-stamped force-bias Monte Carlo (tfMC) formalism is tested on both simple one-dimensional and three-dimensional systems. Both test-cases give excellent results in agreement with analytical solutions and literature reports. The inclusion of a time scale, the simplicity of the method, and the enhancement of the time step compared to classical MD methods make this method very appealing for studying the dynamics of many-particle systems.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000302290500001	Publication Date	2012-04-03
	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	31	Open Access
	Notes				Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:97160			Serial	3809
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	Author	Saniz, R.; Partoens, B.; Peeters, F.M.
	Title	Green function approach to superconductivity in nanowires			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	85	Issue	14	Pages	144504-144504,7
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Superconductivity in nanowires made of weak coupling superconductor materials is investigated using a Green function approach. We show that these are multigap systems in which the ratio Delta(T)/k(B)T(c) is to a large extent similar to what is observed in some high-T-c two-gap systems, such as MgB2 and some of the Fe-based superconductors. On the other hand, because of confinement, the superfluid density has a temperature behavior of the form n(s)(T) = 1 – (T/T-c)(3) near T-c, thus deviating from the BCS behavior for bulk superconductors.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000302290700006	Publication Date	2012-04-03
	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	1	Open Access
	Notes	; This work was supported by FWO-Vl and the Belgian Science Policy (IAP). ;			Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:97764			Serial	1381
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	Author	Gatto Rotondo, G.; Darchuk, L.; Swaenen, M.; Van Grieken, R.
	Title	Micro-Raman and SEM analysis of minerals from the Darhib mine, Egypt			Type	A1 Journal article
	Year	2012	Publication	Journal of analytical sciences, methods and instrumentation	Abbreviated Journal
	Volume	2	Issue	1	Pages	42-47
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	The Darhib mine is one of the several talc deposits in the Hamata area of southeastern Egypt. Several specimens of minerals coming from this mine were subjected to complementary investigation by micro-Raman spectrometry and scanning electron microscopy. The difficulty in their identification is the appearance of most of them: they are all very small and only visible under the mineral binocular microscope(×10 – ×40). They appear as small crystals in fissures and holes and a visual determination on colour and crystal gives only a guess of what kind of mineral it could be. Therefore, only after analyzing them by micro-Raman and scanning electron microscopy it was possible to identify their structure and they can be divided in three main groups: one is quite generic and several minerals of different species were identified, such as quartz, talc, mottramite and chrysocolla, very common in the talc mine (these ones are Si-based minerals); the other one is constituted by four samples which are Zn and/or Cu rich, which means minerals of the rosasite or aurichalcite groups; the last group is constituted by two samples containing mainly Pb..
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	2012-03-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2164-2745; 2164-2753	ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:102567			Serial	8232
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	Author	Napolsky, P.S.; Drozhzhin, O.A.; Istomin, S.Y.; Kazakov, S.M.; Antipov, E.V.; Galeeva, A.V.; Gippius, A.A.; Svensson, G.; Abakumov, A.M.; Van Tendeloo, G.
	Title	Structure and high-temperature properties of the (Sr,Ca,Y)(Co,Mn)O_3-y perovskites – perspective cathode materials for IT-SOFC			Type	A1 Journal article
	Year	2012	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	192	Issue		Pages	186-194
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Oxygen deficient perovskites Sr0.75Y0.25Co1-xMnxO3-y, x=0.5 and 0.75, were prepared by using the citrate route at 1373-1573 K for 48 h. The cubic Pm-3m perovskite structure for x=0.5 was confirmed by electron diffraction study and refined using neutron powder diffraction (NPD) data. For x=0.75, the superstructure corresponding to a=root 2 x a(per), b=2 x a(per), c=root 2 x a(per) (a(0)b(-)b(-) tilt system, space group Imma) was revealed by electron diffraction. The solid solution Sr0.75-xCaxY0.25Co0.25Mn0.75O3-y, 0.1 <= x <= 0.6 and compound Ca0.75Y0.25Mn0.85Co0.15O2.92 were prepared in air at 1573 K for 48 h. The crystal structure of Ca0.75Y0.25Mn0.85Co0.15O2.92 was refined using NPD data (S.G. Pnma, a=5.36595(4), b=7.5091(6), c=5.2992(4) angstrom, R-p=0.057, R-wp=0.056, chi(2)=4.26). High-temperature thermal expansion properties of the prepared compounds were studied in air using both dilatometry and high-temperature X-ray powder diffraction data (HTXRPD). They expanding non-linearly at 298-1073 K due to the loss of oxygen at high temperatures. Calculated average thermal expansion coefficients (TECs) for Sr0.75Y0.25Co1-xMnxO3-y, x=0.5, 0.75 and Ca0.75Y0.25Mn0.85Co0.15O2.92(1) are 15.5, 15.1, and 13.8 ppm K-1, respectively. Anisotropy of the thermal expansion along different unit cell axes was observed for Sr0.15Ca0.6Y0.25Co0.25Mn0.75O3-y, and Ca0.75Y0.25Mn0.85Co0.15O2.92. Conductivity of Sr0.75Y0.25Co1-xMnxO3-y, x=0.5 and 0.75 increases with the temperature reaching 110 S/cm for x=0.5 and 44 S/cm for x=0.75 at 1173 K. Samples of Sr0.75-xCaxY0.25Co0.25Mn0.75O3-y, 0.1 <= y <= 0.6 were found to be n-type conductors at room temperature with the similar temperature dependence of the conductivity and demonstrated the increase of the sigma value from similar to 1 to similar to 50 S/cm as the temperature increases from 300 to 1173 K. Their conductivity is described in terms of the small polaron charge transport with the activation energy (E-p) increasing from 340 to 430 meV with an increase of the calcium content from x=0 to x=0.6. (C) 2012 Elsevier Inc. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000307028300030	Publication Date	2012-03-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-4596;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.299	Times cited	5	Open Access
	Notes				Approved	Most recent IF: 2.299; 2012 IF: 2.040
	Call Number	UA @ lucian @ c:irua:101119			Serial	3279
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	Author	Palgrave, R.G.; Borisov, P.; Dyer, M.S.; McMitchell, S.R.C.; Darling, G.R.; Claridge, J.B.; Batuk, M.; Tan, H.; Tian, H.; Verbeeck, J.; Hadermann, J.; Rosseinsky, M.J.;
	Title	Artificial construction of the layered Ruddlesden-Popper manganite La₂Sr₂Mn₃O₁₀ by reflection high energy electron diffraction monitored pulsed laser deposition			Type	A1 Journal article
	Year	2012	Publication	Journal of the American Chemical Society	Abbreviated Journal	J Am Chem Soc
	Volume	134	Issue	18	Pages	7700-7714
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Pulsed laser deposition has been used to artificially construct the n = 3 Ruddlesden Popper structure La2Sr2Mn3O10 in epitaxial thin film form by sequentially layering La1-xSrxMnO3 and SrO unit cells aided by in situ reflection high energy electron diffraction monitoring. The interval deposition technique was used to promote two-dimensional SrO growth. X-ray diffraction and cross-sectional transmission electron microscopy indicated that the trilayer structure had been formed. A site ordering was found to differ from that expected thermodynamically, with the smaller Sr2+ predominantly on the R site due to kinetic trapping of the deposited cation sequence. A dependence of the out-of-plane lattice parameter on growth pressure was interpreted as changing the oxygen content of the films. Magnetic and transport measurements on fully oxygenated films indicated a frustrated magnetic ground state characterized as a spin glass-like magnetic phase with the glass temperature T-g approximate to 34 K. The magnetic frustration has a clear in-plane (ab) magnetic anisotropy, which is maintained up to temperatures of 150 K. Density functional theory calculations suggest competing antiferromagnetic and ferromagnetic long-range orders, which are proposed as the origin of the low-temperature glassy state.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000303696200029	Publication Date	2012-03-30
	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	27	Open Access
	Notes	Fwo; Esteem 026019			Approved	Most recent IF: 13.858; 2012 IF: 10.677
	Call Number	UA @ lucian @ c:irua:98947UA @ admin @ c:irua:98947			Serial	153
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	Author	Cagno, S.; Badano, M.B.; Mathis, F.; Strivay, D.; Janssens, K.
	Title	Study of medieval glass fragments from Savona (Italy) and their relation with the glass produced in Altare			Type	A1 Journal article
	Year	2012	Publication	Journal of archaeological science	Abbreviated Journal	J Archaeol Sci
	Volume	39	Issue	7	Pages	2191-2197
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Altare was in the medieval and post-medieval period an important glassmaking center in the Liguria region in Northern Italy. The first historical evidence of glassmaking in Altare is dated to the twelfth century. In spite of that, due to the continuity of glassmaking up to the present time and the contemporaneous intensive urbanization of the territory, no medieval glass from Altare or its immediate vicinity has been analyzed up to now. In this work, glass from archaeological excavations in the center of Savona, city with close ties with the glassmaking center, was studied. Glass fragments, dated from the tenth to the sixteenth century were selected from the collections of the Archaeological Museum in Savona and non-destructively analyzed with quantitative PIXE-PIGE. The resulting compositions, compared with known glass productions of the same time and evaluated on the basis of historical documents, offer an interesting panorama on the variety of glass circulation in Liguria. (C) 2012 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000305849400027	Publication Date	2012-03-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0305-4403	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.602	Times cited	21	Open Access
	Notes	; This research was supported by the Interuniversity Attraction Poles Programme – Belgian Science Policy (IUAP VI/16). The text also presents results of GOA “XANES meets ELNES” (Research Fund University of Antwerp, Belgium) and from FWO (Brussels, Belgium) projects no. G.0704.08 and G.01769.09. The authors gratefully acknowledge Prof. Carlo Varaldo for allowing the study of the glass preserved in the Archaeological Museum of Savona. ;			Approved	Most recent IF: 2.602; 2012 IF: 1.889
	Call Number	UA @ admin @ c:irua:100332			Serial	5849
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	Author	Lucena, D.; Tkachenko, D.V.; Nelissen, K.; Misko, V.R.; Ferreira, W.P.; Farias, G.A.; Peeters, F.M.
	Title	Transition from single-file to two-dimensional diffusion of interacting particles in a quasi-one-dimensional channel			Type	A1 Journal article
	Year	2012	Publication	Physical review : E : statistical, nonlinear, and soft matter physics	Abbreviated Journal	Phys Rev E
	Volume	85	Issue	3:1	Pages	031147-031147,12
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Diffusive properties of a monodisperse system of interacting particles confined to a quasi-one-dimensional channel are studied using molecular dynamics simulations. We calculate numerically the mean-squared displacement (MSD) and investigate the influence of the width of the channel (or the strength of the confinement potential) on diffusion in finite-size channels of different shapes (i.e., straight and circular). The transition from single-file diffusion to the two-dimensional diffusion regime is investigated. This transition [ regarding the calculation of the scaling exponent (alpha) of the MSD <Delta x(2)(t)> proportional to t(alpha)] as a function of the width of the channel is shown to change depending on the channel's confinement profile. In particular, the transition can be either smooth (i.e., for a parabolic confinement potential) or rather sharp (i.e., for a hard-wall potential), as distinct from infinite channels where this transition is abrupt. This result can be explained by qualitatively different distributions of the particle density for the different confinement potentials.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	Woodbury (NY)	Editor
	Language		Wos	000302117900003	Publication Date	2012-03-29
	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	38	Open Access
	Notes	; This work was supported by CNPq, FUNCAP (Pronex grant), the “Odysseus” program of the Flemish Government, the Flemish Science Foundation (FWO-Vl), the bilateral program between Flanders and Brazil, and the collaborative program CNPq-FWO-Vl. ;			Approved	Most recent IF: 2.366; 2012 IF: 2.313
	Call Number	UA @ lucian @ c:irua:97784			Serial	3699
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	Author	Dixon, E.; Hadermann, J.; Hayward, M.A.
	Title	Structures and magnetism of La_1-xSr_xMnO_3-(0.5+x)/2 (0.67\leq x\leq1) phases			Type	A1 Journal article
	Year	2012	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	24	Issue	8	Pages	1486-1495
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Topotactic reduction of La1-xSrxMnO3 (0.67 <= x <= 1) phases with sodium hydride yields a series of isoelectronic materials of composition La1-xSrxMnO3-(0.5+x)/2. Lanthanum rich members of the series (0.67 <= x <= 0.83) adopt anion deficient perovskite structures with a 6-layer -OTOOT'O- stacking sequence of sheets of octahedra/square-based pyramids (O) and sheets of tetrahedra (T). The strontium rich members of the series (0.83 <= x <= 1) incorporate “step defects” into this 6-layer structure in which the OTOOT'O stacking sequence is converted into either OOTOOT' or TOOT'OO at a defect plane which runs perpendicular to the [201] lattice plane. The step defects appear to provide a mechanism to relieve lattice strain and accommodate additional anion deficiency in phases with x > 0.83. Magnetization and neutron diffraction data indicate La1-xSrxMnO3-(0.5+x)/2 phases adopt antiferromagnetically ordered states at low-temperature in which the ordered arrangement of magnetic spins is incommensurate with the crystallographic lattice.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000303092300011	Publication Date	2012-03-28
	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	13	Open Access
	Notes	Esteem 026019			Approved	Most recent IF: 9.466; 2012 IF: 8.238
	Call Number	UA @ lucian @ c:irua:98253			Serial	3318
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	Author	Wang, A.; Chen, F.R.; Van Aert, S.; van Dyck, D.
	Title	Direct structure inversion from exit waves : part 2 : a practical example			Type	A1 Journal article
	Year	2012	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	116	Issue		Pages	77-85
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	This paper is the second part of a two-part paper on direct structure inversion from exit waves. In the first part, a method has been proposed to quantitatively determine structure parameters with atomic resolution such as atom column positions, surface profile and the number of atoms in the atom columns. In this part, the theory will be demonstrated by means of a Au[110] exit wave reconstructed from a set of focal-series images. The procedures to analyze the experimentally reconstructed exit wave in terms of quantitative structure information are described in detail.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000304473700011	Publication Date	2012-03-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-3991;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.843	Times cited	8	Open Access
	Notes	Fwo			Approved	Most recent IF: 2.843; 2012 IF: 2.470
	Call Number	UA @ lucian @ c:irua:96660			Serial	724
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	Author	Yang, W.; Misko, V.R.; Nelissen, K.; Kong, M.; Peeters, F.M.
	Title	Using self-driven microswimmers for particle separation			Type	A1 Journal article
	Year	2012	Publication	Soft matter	Abbreviated Journal	Soft Matter
	Volume	8	Issue	19	Pages	5175-5179
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Microscopic self-propelled swimmers capable of autonomous navigation through complex environments provide appealing opportunities for localization, pick-up and delivery of micro and nanoscopic objects. Inspired by motile cells and bacteria, man-made microswimmers have been fabricated, and their motion in patterned surroundings has been experimentally studied. We propose to use self-driven artificial microswimmers for the separation of binary mixtures of colloids. We revealed different regimes of separation, including one with a velocity inversion. Our findings could be of use for various biological and medical applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000303208700009	Publication Date	2012-03-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1744-683X;1744-6848;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.889	Times cited	45	Open Access
	Notes	; This work was supported by the “Odysseus” Program of the Flemish Government and the Flemish Science Foundation (FWO-V1) (Belgium), the National Natural Science Foundation of China (No. 11047111), the State Key Program of National Natural Science of China (No. 51135007), the Research Fund for the Doctoral Program of Higher Education of China (No. 20111415120002), and the Major State Basic Research Development Program of China (973) (No. 2009CB724201). ;			Approved	Most recent IF: 3.889; 2012 IF: 3.909
	Call Number	UA @ lucian @ c:irua:98326			Serial	3826
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	Author	Khalilov, U.; Pourtois, G.; van Duin, A.C.T.; Neyts, E.C.
	Title	Hyperthermal oxidation of Si(100)2x1 surfaces : effect of growth temperature			Type	A1 Journal article
	Year	2012	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	116	Issue	15	Pages	8649-8656
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Using reactive molecular dynamics simulations based on the ReaxFF potential, we studied the growth mechanism of ultrathin silica (SiO2) layers during hyperthermal oxidation as a function of temperature in the range 100-1300 K. Oxidation of Si(100){2 x 1} surfaces by both atomic and molecular oxygen was investigated for hyperthermal impact energies in the range of 1 to 5 eV. Two different growth mechanisms are found, corresponding to a low temperature oxidation and a high temperature one. The transition temperature between these mechanisms is estimated to be about 700 K. Also, the initial step of the Si oxidation process is analyzed in detail. Where possible, we validated our results with experimental and ab initio data, and good agreement was obtained. This study is important for the fabrication of silica-based devices in the micro- and nanoelectronics industry and, more specifically, for the fabrication of metal oxide semiconductor devices.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000302924900035	Publication Date	2012-03-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-7447;1932-7455;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.536	Times cited	32	Open Access
	Notes				Approved	Most recent IF: 4.536; 2012 IF: 4.814
	Call Number	UA @ lucian @ c:irua:98259			Serial	1542
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	Author	Clima, S.; Chen, Y.Y.; Degraeve, R.; Mees, M.; Sankaran, K.; Govoreanu, B.; Jurczak, M.; De Gendt, S.; Pourtois, G.
	Title	First-principles simulation of oxygen diffusion in HfO_x : role in the resistive switching mechanism			Type	A1 Journal article
	Year	2012	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	100	Issue	13	Pages	133102-133102,4
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Transition metal oxide-based resistor random access memory (RRAM) takes advantage of oxygen-related defects in its principle of operation. Since the change in resistivity of the material is controlled by the oxygen deficiency level, it is of major importance to quantify the kinetics of the oxygen diffusion, key factor for oxide stoichiometry. Ab initio accelerated molecular dynamics techniques are employed to investigate the oxygen diffusivity in amorphous hafnia (HfOx, x = 1.97, 1.0, 0.5). The computed kinetics is in agreement with experimental measurements. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3697690]
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000302230800060	Publication Date	2012-03-26
	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	63	Open Access
	Notes				Approved	Most recent IF: 3.411; 2012 IF: 3.794
	Call Number	UA @ lucian @ c:irua:97786			Serial	1214
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	Author	Michielsen, B.; Verlackt, C.; van der Veken, B.J.; Herrebout, W.A.
	Title	C-H\cdots X (X = S, P) hydrogen bonding : the complexes of halothane with dimethyl sulfide and trimethylphosphine			Type	A1 Journal article
	Year	2012	Publication	Journal Of Molecular Structure	Abbreviated Journal	J Mol Struct
	Volume	1023	Issue		Pages	90-95
	Keywords	A1 Journal article; Electron Microscopy for Materials Science (EMAT);
	Abstract	The formation of CH⋯S and CH⋯P hydrogen bonded complexes of halothane, CHBrClCF3, with dimethyl sulfide(-d6) and trimethylphosphine(-d9) have been studied in solutions of liquid krypton using infrared and Raman spectroscopy. In the 1:1 complexes, the halothane CH stretching mode is found to be red-shifted by 43 cm−1 in the dimethyl sulfide complex, and by 63 cm−1 in the trimethylphosphine complex. The complexation enthalpies were derived and amount to −10.7(2) and −11.2(2) kJ mol−1 for the respective complexes. The experiments were supported by ab initio calculations and Monte Carlo simulations. The obtained data for the CH⋯S and CH⋯P hydrogen bonds is compared to that of corresponding CH⋯O and CH⋯N hydrogen bonds.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000308971900017	Publication Date	2012-03-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-2860;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.753	Times cited	21	Open Access
	Notes				Approved	Most recent IF: 1.753; 2012 IF: 1.404
	Call Number	UA @ lucian @ c:irua:100917			Serial	3519
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	Author	Boschker, H.; Verbeeck, J.; Egoavil, R.; Bals, S.; Van Tendeloo, G.; Huijben, M.; Houwman, E.P.; Koster, G.; Blank, D.H.A.; Rijnders, G.
	Title	Preventing the reconstruction of the polar discontinuity at oxide heterointerfaces			Type	A1 Journal article
	Year	2012	Publication	Advanced functional materials	Abbreviated Journal	Adv Funct Mater
	Volume	22	Issue	11	Pages	2235-2240
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Perovskite oxide heteroepitaxy receives much attention because of the possibility to combine the diverse functionalities of perovskite oxide building blocks. A general boundary condition for the epitaxy is the presence of polar discontinuities at heterointerfaces. These polar discontinuities result in reconstructions, often creating new functionalities at the interface. However, for a significant number of materials these reconstructions are unwanted as they alter the intrinsic materials properties at the interface. Therefore, a strategy to eliminate this reconstruction of the polar discontinuity at the interfaces is required. We show that the use of compositional interface engineering can prevent the reconstruction at the La0.67Sr0.33MnO3/SrTiO3 (LSMO/STO) interface. The polar discontinuity at this interface can be removed by the insertion of a single La0.33Sr0.67O layer, resulting in improved interface magnetization and electrical conductivity.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000304749600002	Publication Date	2012-03-23
	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	72	Open Access
	Notes	We wish to acknowledge the financial support of the Dutch Science Foundation (NWO) and the Dutch Nanotechnology program NanoNed. S. B. acknowledges the financial support from the European Union under the Framework 6 program under a contract for an Integrated Infrastructure Initiative. Reference 026019 ESTEEM. J. V. and G. V. T. acknowledge funding from the European Research Council under the 7th Framework Program (FP7), ERC grant N246791 – COUNTATOMS. R. E. acknowledges funding by the European Union Council under the 7th Framework Program (FP7) grant NNMP3-LA-2010-246102 IFOX. We thank Sandra Van Aert for stimulating discussions.			Approved	Most recent IF: 12.124; 2012 IF: 9.765
	Call Number	UA @ lucian @ c:irua:98907UA @ admin @ c:irua:98907			Serial	2712
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	Author	Bittencourt, C.; Ke, X.; Van Tendeloo, G.; Thiess, S.; Drube, W.; Ghijsen, J.; Ewels, C.P.
	Title	Study of the interaction between copper and carbon nanotubes			Type	A1 Journal article
	Year	2012	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	535	Issue		Pages	80-83
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Copper deposited by thermal evaporation onto pristine and oxygen plasma treated carbon nanotubes (CNTs) diffuse over the CNT surface, coalescing and forming crystalline islands. The nucleation sites of the islands are preferentially defects, and more homogeneous island dispersion was observed at the CNT oxygen functionalized surface. The presence of weakly bound oxygen atoms at the CNT surface induces the formation of CuO bonds at the Cu/CNT interface, as described through density functional calculations. Exposure to air allows further oxidation to facetted crystalline Cu2O. Oxygen plasma pre-treatment represents a promising route for homogenous disperse Cu2O nanoparticle decoration of CNTs.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000303437900015	Publication Date	2012-03-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.815	Times cited	27	Open Access
	Notes				Approved	Most recent IF: 1.815; 2012 IF: 2.145
	Call Number	UA @ lucian @ c:irua:97704			Serial	3336
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	Author	Savchenko, D.V.; Serdan, A.A.; Morozov, V.A.; Van Tendeloo, G.; Ionov, S.G.
	Title	Improvement of the oxidation stability and the mechanical properties of flexible graphite foil by boron oxide impregnation			Type	A1 Journal article
	Year	2012	Publication	New carbon materials	Abbreviated Journal
	Volume	27	Issue	1	Pages	12-18
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Flexible graphite foil produced by rolling expanded graphite impregnated with boron oxide was analyzed by laser mass spectroscopy, X-ray photoelectron spectroscopy, scanning electron microscopy and thermogravimetry. It was shown that the modification of the graphite foil by boron oxide increases the onset temperature of oxidation by ∼ 150 °C. Impregnation of less than 2 mass% boron oxide also increased the tensile strength of the materials. The observed improvement was attributed to the blocking of active sites by boron oxide, which is probably chemically bonded to the edges of graphene sheets in expanded graphite particles.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000304742100002	Publication Date	2012-03-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1872-5805;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	5	Open Access
	Notes	Iap			Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:96958			Serial	1569
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	Author	Narayanan, V.; Lommens, P.; De Buysser, K.; Vanpoucke, D.E.P.; Huehne, R.; Molina, L.; Van Tendeloo, G.; van der Voort, P.; Van Driessche, I.
	Title	Aqueous CSD approach for the growth of novel, lattice-tuned La_xCe_1-xO_\delta epitaxial layers			Type	A1 Journal article
	Year	2012	Publication	Journal of materials chemistry	Abbreviated Journal	J Mater Chem
	Volume	22	Issue	17	Pages	8476-8483
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Lanthanumcerium oxide (LCO) films were deposited on Ni-5%W substrates by chemical solution deposition (CSD) from water-based precursors. LCO films containing different ratios of lanthanum and cerium ions (from CeO2 to La2Ce2O7) were prepared. The composition of the layers was optimized towards the formation of LCO buffer layers, lattice-matched with the superconducting YBa2Cu3Oy layer, useful for the development of coated conductors. Single, crack-free LCO layers with a thickness of up to 140 nm could be obtained in a single deposition step. The crystallinity and microstructure of these lattice-matched LCO layers were studied by X-ray diffraction techniques, RHEED and SEM. We find that only layers with thickness below 100 nm show a crystalline top surface although both thick and thin layers show good biaxial texture in XRD. On the most promising layers, AFM and (S)TEM were performed to further evaluate their morphology. The overall surface roughness varies between 3.9 and 7.5 nm, while the layers appear much more dense than the frequently used La2Zr2O7 (LZO) systems, showing much smaller nanovoids (12 nm) than the latter system. Their effective buffer layer action was studied using XPS. The thin LCO layers supported the growth of superconducting YBCO deposited using PLD methods.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000302367500044	Publication Date	2012-03-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0959-9428;1364-5501;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	24	Open Access
	Notes	Iap			Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:96960			Serial	148
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