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	Author	Filippov, S.K.; Sedlacek, O.; Bogomolova, A.; Vetrik, M.; Jirak, D.; Kovar, J.; Kucka, J.; Bals, S.; Turner, S.; Stepanek, P.; Hruby, M.;
	Title	Glycogen as a biodegradable construction nanomaterial for in vivo use			Type	A1 Journal article
	Year	2012	Publication	Macromolecular bioscience	Abbreviated Journal	Macromol Biosci
	Volume	12	Issue	12	Pages	1731-1738
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	It is demonstrated that glycogen as a biodegradable and inexpensive material coming from renewable resources can be used as a carrier for the construction of in vivo imaging nanoagents. The model system considered is composed of glycogen modified with gadolinium and fluorescent labels. Systematic studies of properties of these nanocarriers by a variety of physical methods and results of in vivo tests of biodegradability are reported. This represents, to the authors' best knowledge, the first such use of glycogen.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000312242600016	Publication Date	2012-11-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1616-5187;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.238	Times cited	22	Open Access
	Notes	262348 ESMI; FWO; Hercules			Approved	Most recent IF: 3.238; 2012 IF: 3.742
	Call Number	UA @ lucian @ c:irua:105286			Serial	1354
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	Author	McCalla, E.; Abakumov, A.; Rousse, G.; Reynaud, M.; Sougrati, M.T.; Budic, B.; Mahmoud, A.; Dominko, R.; Van Tendeloo, G.; Hermann, R.P.; Tarascon, J.M.;
	Title	Novel complex stacking of fully-ordered transition metal layers in Li₄FeSbO₆ materials			Type	A1 Journal article
	Year	2015	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	27	Issue	27	Pages	1699-1708
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	As part of a broad project to explore Li4MM'O-6 materials (with M and M' being selected from a wide variety of metals) as positive electrode materials for Li-ion batteries, the structures of Li4FeSbO6 materials with both stoichiometric and slightly deficient lithium contents are studied here. For lithium content varying from 3.8 to 4.0, the color changes from yellow to black and extra superstructure peaks are seen in the XRD patterns. These extra peaks appear as satellites around the four superstructure peaks affected by the stacking of the transition metal atoms. Refinements of both XRD and neutron scattering patterns show a nearly perfect ordering of Li, Fe, and Sb in the transition metal layers of all samples, although these refinements must take the stacking faults into account in order to extract information about the structure of the TM layers. The structure of the most lithium rich sample, where the satellite superstructure peaks are seen, was determined with the help of HRTEM, XRD, and neutron scattering. The satellites arise due to a new stacking sequence where not all transition metal layers are identical but instead two slightly different compositions stack in an AABB sequence giving a unit cell that is four times larger than normal for such monoclinic layered materials. The more lithium deficient samples are found to contain metal site vacancies based on elemental analysis and Mossbauer spectroscopy results. The significant changes in physical properties are attributed to the presence of these vacancies. This study illustrates the great importance of carefully determining the final compositions in these materials, as very small differences in compositions may have large impacts on structures and properties.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000350919000032	Publication Date	2015-02-12
	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	22	Open Access
	Notes				Approved	Most recent IF: 9.466; 2015 IF: 8.354
	Call Number	c:irua:125469			Serial	2373
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	Author	Aerts, A.; Follens, L.R.A.; Biermans, E.; Bals, S.; Van Tendeloo, G.; Loppinet, B.; Kirschhock, C.E.A.; Martens, J.A.
	Title	Modelling of synchrotron SAXS patterns of silicalite-1 zeolite during crystallization			Type	A1 Journal article
	Year	2011	Publication	Physical chemistry, chemical physics	Abbreviated Journal	Phys Chem Chem Phys
	Volume	13	Issue	10	Pages	4318-4325
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Synchrotron small angle X-ray scattering (SAXS) was used to characterize silicalite-1 zeolite crystallization from TEOS/TPAOH/water clear sol. SAXS patterns were recorded over a broad range of length scales, enabling the simultaneous monitoring of nanoparticles and crystals occurring at various stages of the synthesis. A simple two-population model accurately described the patterns. Nanoparticles were modeled by polydisperse coreshell spheres and crystals by monodisperse oblate ellipsoids. These models were consistent with TEM images. The SAXS results, in conjunction with in situ light scattering, showed that nucleation of crystals occurred in a short period of time. Crystals were uniform in size and shape and became increasingly anisotropic during growth. In the presence of nanoparticles, crystal growth was fast. During crystal growth, the number of nanoparticles decreased gradually but their size was constant. These observations suggested that the nanoparticles were growth units in an aggregative crystal growth mechanism. Crystals grown in the presence of nanoparticles developed a faceted habit and intergrowths. In the final stages of growth, nanoparticles were depleted. Concurrently, the crystal growth rate decreased significantly.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000287584700017	Publication Date	2011-01-24
	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	22	Open Access
	Notes	Fwo; Iap; Esteem 026019			Approved	Most recent IF: 4.123; 2011 IF: 3.573
	Call Number	UA @ lucian @ c:irua:87602			Serial	2155
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	Author	Anastasiou, I.; Van Velthoven, N.; Tomarelli, E.; Lombi, A.; Lanari, D.; Liu, P.; Bals, S.; De Vos, D.E.; Vaccaro, L.
	Title	C2-H arylation of indoles catalyzed by palladium-containing metal-organic-framework in γ-valerolactone			Type	A1 Journal article
	Year	2020	Publication	Chemsuschem	Abbreviated Journal	Chemsuschem
	Volume	13	Issue	10	Pages
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	An efficient and selective procedure was developed for the direct C2-H arylation of indoles using a Pd-loaded metal-organic framework (MOF) as a heterogeneous catalyst and the nontoxic biomass-derived solvent gamma-valerolactone (GVL) as a reaction medium. The developed method allows for excellent yields and C-2 selectivity to be achieved and tolerates various substituents on the indole scaffold. The established conditions ensure the stability of the catalyst as well as recoverability, reusability, and low metal leaching into the solution.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000520285700001	Publication Date	2020-02-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1864-5631	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.4	Times cited	22	Open Access	Not_Open_Access
	Notes	; The research leading to these results has received funding from the NMBP-01-2016 Programme of the European Union's Horizon 2020 Framework Programme H2020/2014-2020/under grant agreement no [720996]. The Universit degli Studi di Perugia and MIUR are acknowledged for financial support to the project AMIS, through the program “Dipartimenti di Eccellenza -2018-2022”. The XAS experiments were performed on beamline BM26A at the European Synchrotron Radiation Facility (ESRF), Grenoble (France). We are grateful to D. Banerjee at the ESRF for providing assistance in using beamline BM26A. Niels Van Velthoven and Dirk E. De Vos also thank FWO for funding. ;			Approved	Most recent IF: 8.4; 2020 IF: 7.226
	Call Number	UA @ admin @ c:irua:167678			Serial	6465
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	Author	Apolinario, S.W.S.; Partoens, B.; Peeters, F.M.
	Title	Structure and spectrum of anisotropically confined two-dimensional clusters with logarithmic interaction			Type	A1 Journal article
	Year	2005	Publication	Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics	Abbreviated Journal	Phys Rev E
	Volume	72	Issue		Pages	046122,1-7
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We studied the structural and spectral properties of a classical system consisting of a finite number of particles, moving in two dimensions, and interacting through a repulsive logarithmic potential and held together by an anisotropic harmonic potential. Increasing the anisotropy of the confinement potential can drive the system from a two-dimensional (2D) to a one-dimensional (1D) configuration. This change occurs through a sequence of structural transitions of first and second order which are reflected in the normal mode frequencies. Our results of the ground state configurations are compared with recent experiments and we obtained a satisfactory agreement. The transition from the 1D line structure to the 2D structure occurs through a zigzag transition which is of second order. We found analytical expressions for the eigenfrequencies before the zigzag transition, which allowed us to obtain an analytical expression for the anisotropy parameter at which the zigzag transition occurs as a function of the number of particles in the system.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000232931200034	Publication Date	2005-10-18
	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	22	Open Access
	Notes				Approved	Most recent IF: 2.366; 2005 IF: 2.418
	Call Number	UA @ lucian @ c:irua:62448			Serial	3295
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	Author	Bafekry, A.; Neek-Amal, M.; Peeters, F.M.
	Title	Two-dimensional graphitic carbon nitrides: strain-tunable ferromagnetic ordering			Type	A1 Journal article
	Year	2020	Publication	Physical Review B	Abbreviated Journal	Phys Rev B
	Volume	101	Issue	16	Pages	165407-165408
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using first-principle calculations, we systematically study strain tuning of the electronic properties of two- dimensional graphitic carbon nitride nanosheets with empirical formula CnNm. We found the following: (i) the ferromagnetic ordered state in the metal-free systems (n, m) = (4,3), (10,9), and (14,12) remains stable in the presence of strain of about 6%. However, the system (9,7) loses its ferromagnetic ordering when increasing strain. This is due to the presence of topological defects in the (9,7) system, which eliminates the asymmetry between spin up and spin down of the p(z) orbitals when strain is applied. (ii) By applying uniaxial strain, a band gap opens in systems which are initially gapless. (iii) In semiconducting systems which have an initial gap of about 1 eV, the band gap is closed with applying uniaxial strain.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000523630200012	Publication Date	2020-04-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9969; 2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.7	Times cited	22	Open Access
	Notes	; ;			Approved	Most recent IF: 3.7; 2020 IF: 3.836
	Call Number	UA @ admin @ c:irua:168560			Serial	6643
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	Author	Bal, K.M.; Neyts, E.C.
	Title	Direct observation of realistic-temperature fuel combustion mechanisms in atomistic simulations			Type	A1 Journal article
	Year	2016	Publication	Chemical science	Abbreviated Journal	Chem Sci
	Volume	7	Issue	7	Pages	5280-5286
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Atomistic simulations can in principle provide an unbiased description of all mechanisms, intermediates, and products of complex chemical processes. However, due to the severe time scale limitation of conventional simulation techniques, unrealistically high simulation temperatures are usually applied, which are a poor approximation of most practically relevant low-temperature applications. In this work, we demonstrate the direct observation at the atomic scale of the pyrolysis and oxidation of n-dodecane at temperatures as low as 700 K through the use of a novel simulation technique, collective variable-driven hyperdynamics (CVHD). A simulated timescale of up to 39 seconds is reached. Product compositions and dominant mechanisms are found to be strongly temperature-dependent, and are consistent with experiments and kinetic models. These simulations provide a first atomic-level look at the full dynamics of the complicated fuel combustion process at industrially relevant temperatures and time scales, unattainable by conventional molecular dynamics simulations.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000380893900059	Publication Date	2016-05-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2041-6520	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.668	Times cited	22	Open Access
	Notes	K. M. B. is funded as PhD fellow (aspirant) of the FWO-Flanders (Fund for Scientic Research-Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), funded by the Hercules Foundation and the Flemish Government – department EWI. The authors would also like to thank S. Banerjee for assisting with the interpretation of the experimental results.			Approved	Most recent IF: 8.668
	Call Number	c:irua:134577 c:irua:135670			Serial	4105
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	Author	Bartova, B.; Schryvers, D.; Yang, Z.; Ignacova, S.; Sittner, P.
	Title	Microstructure and precipitates in as-cast Co₃₈Ni₃₃Al₂₉ shape memory alloy			Type	A1 Journal article
	Year	2007	Publication	Scripta materialia	Abbreviated Journal	Scripta Mater
	Volume	57	Issue	1	Pages	37-40
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000246632900010	Publication Date	2007-04-13
	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	22	Open Access
	Notes				Approved	Most recent IF: 3.747; 2007 IF: 2.481
	Call Number	UA @ lucian @ c:irua:64753			Serial	2059
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	Author	Becker, T.; Nelissen, K.; Cleuren, B.; Partoens, B.; van den Broeck, C.
	Title	Diffusion of interacting particles in discrete geometries			Type	A1 Journal article
	Year	2013	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	111	Issue	11	Pages	110601
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We evaluate the self-diffusion and transport diffusion of interacting particles in a discrete geometry consisting of a linear chain of cavities, with interactions within a cavity described by a free-energy function. Exact analytical expressions are obtained in the absence of correlations, showing that the self-diffusion can exceed the transport diffusion if the free-energy function is concave. The effect of correlations is elucidated by comparison with numerical results. Quantitative agreement is obtained with recent experimental data for diffusion in a nanoporous zeolitic imidazolate framework material, ZIF-8.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000324233800001	Publication Date	2013-09-11
	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	22	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen). ;			Approved	Most recent IF: 8.462; 2013 IF: 7.728
	Call Number	UA @ lucian @ c:irua:111176			Serial	699
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	Author	Berdiyorov, G.R.; Milošević, M.V.; Savel'ev, S.; Kusmartsev, F.; Peeters, F.M.
	Title	Parametric amplification of vortex-antivortex pair generation in a Josephson junction			Type	A1 Journal article
	Year	2014	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	90	Issue	13	Pages	134505
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using advanced three-dimensional simulations, we show that an Abrikosov vortex, trapped inside a cavity perpendicular to an artificial Josephson junction, can serve as a very efficient source for generation of Josephson vortex-antivortex pairs in the presence of the applied electric current. In such a case, the nucleation rate of the pairs can be tuned in a broad range by an out-of-plane ac magnetic field in a broad range of frequencies. This parametrically amplified vortex-antivortex nucleation can be considered as a macroscopic analog of the dynamic Casimir effect, where fluxon pairs mimic the photons and the ac magnetic field plays the role of the oscillating mirrors. The emerging vortex pairs in our system can be detected by the pronounced features in the measured voltage characteristics, or through the emitted electromagnetic radiation, and exhibit resonant dynamics with respect to the frequency of the applied magnetic field. Reported tunability of the Josephson oscillations can be useful for developing high-frequency emission devices.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000344025100003	Publication Date	2014-10-06
	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	22	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-VI) and the Leverhulme Trust. G.R.B. acknowledges support from a EU-Marie Curie individual grant (Grant No. 253057) ;			Approved	Most recent IF: 3.836; 2014 IF: 3.736
	Call Number	UA @ lucian @ c:irua:121176			Serial	2553
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	Author	Bleiner, D.; Bogaerts, A.
	Title	Computer simulations of laser ablation sample introduction for plasma-source elemental microanalysis			Type	A1 Journal article
	Year	2006	Publication	Journal of analytical atomic spectrometry	Abbreviated Journal	J Anal Atom Spectrom
	Volume	21	Issue	11	Pages	1161-1174
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000241568200005	Publication Date	2006-09-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0267-9477;1364-5544;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.379	Times cited	22	Open Access
	Notes				Approved	Most recent IF: 3.379; 2006 IF: 3.630
	Call Number	UA @ lucian @ c:irua:60157			Serial	471
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	Author	Bogaerts, A.; Yusupov, M.; Van der Paal, J.; Verlackt, C.C.W.; Neyts, E.C.
	Title	Reactive molecular dynamics simulations for a better insight in plasma medicine			Type	A1 Journal article
	Year	2014	Publication	Plasma processes and polymers	Abbreviated Journal	Plasma Process Polym
	Volume	11	Issue	12	Pages	1156-1168
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	In this review paper, we present several examples of reactive molecular dynamics simulations, which contribute to a better understanding of the underlying mechanisms in plasma medicine on the atomic scale. This includes the interaction of important reactive oxygen plasma species with the outer cell wall of both gram-positive and gram-negative bacteria, and with lipids present in human skin. Moreover, as most biomolecules are surrounded by a liquid biofilm, the behavior of these plasma species in a liquid (water) layer is presented as well. Finally, a perspective for future atomic scale modeling studies is given, in the field of plasma medicine in general, and for cancer treatment in particular.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000346034700007	Publication Date	2014-09-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1612-8850;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.846	Times cited	22	Open Access
	Notes				Approved	Most recent IF: 2.846; 2014 IF: 2.453
	Call Number	UA @ lucian @ c:irua:121269			Serial	2822
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	Author	Bouvier, S.; Benmhenni, N.; Tirry, W.; Gregory, F.; Nixon, M.E.; Cazacu, O.; Rabet, L.
	Title	Hardening in relation with microstructure evolution of high purity \alpha-titanium deformed under monotonic and cyclic simple shear loadings at room temperature			Type	A1 Journal article
	Year	2012	Publication	Materials science and engineering: part A: structural materials: properties, microstructure and processing	Abbreviated Journal	Mat Sci Eng A-Struct
	Volume	535	Issue		Pages	12-21
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The aim of this paper is to gain understanding of the quasi-static, large strain deformation behavior at room-temperature of high-purity alpha-Ti with an initial split-basal texture. Simple shear tests were conducted along different directions in order to quantify the material's anisotropy and hardening evolution for different strain paths such as monotonic, Bauschinger, and cyclic loadings. The stress-strain curves indicate that the material displays strong anisotropy in the flow behavior. In order to capture the link between microstructure evolution (occurrence of twinning, grain size evolution, etc.) and the macroscopic response, a thoroughly detailed multi-scale characterization using scanning electron microscope (SEM) observations and electron backscattered diffraction (EBSD) analysis was also conducted. Specifically, EBSD analyses indicate that the twin activity and grain fragmentation are responsible for the observed difference between the macroscopic hardening rates corresponding to different directions and loading paths. (C) 2011 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lausanne	Editor
	Language		Wos	000301402400003	Publication Date	2011-12-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0921-5093;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.094	Times cited	22	Open Access
	Notes				Approved	Most recent IF: 3.094; 2012 IF: 2.108
	Call Number	UA @ lucian @ c:irua:97824			Serial	1410
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	Author	Brito, B.G.A.; Candido, L.; Hai, G.-Q.; Peeters, F.M.
	Title	Quantum effects in a free-standing graphene lattice : path-integral against classical Monte Carlo simulations			Type	A1 Journal article
	Year	2015	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	92	Issue	92	Pages	195416
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	In order to study quantum effects in a two-dimensional crystal lattice of a free-standing monolayer graphene, we have performed both path-integral Monte Carlo (PIMC) and classical Monte Carlo (MC) simulations for temperatures up to 2000 K. The REBO potential is used for the interatomic interaction. The total energy, interatomic distance, root-mean-square displacement of the atom vibrations, and the free energy of the graphene layer are calculated. The obtained lattice vibrational energy per atom from the classical MC simulation is very close to the energy of a three-dimensional harmonic oscillator 3k(B)T. The PIMC simulation shows that quantum effects due to zero-point vibrations are significant for temperatures T < 1000 K. The quantum contribution to the lattice vibrational energy becomes larger than that of the classical lattice for T < 400 K. The lattice expansion due to the zero-point motion causes an increase of 0.53% in the lattice parameter. A minimum in the lattice parameter appears at T similar or equal to 500 K. Quantum effects on the atomic vibration amplitude of the graphene lattice and its free energy are investigated.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000368095400004	Publication Date	2015-11-13
	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	22	Open Access
	Notes	; This research was supported by the Brazilian agencies FAPESP, FAPEG, and CNPq, the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ;			Approved	Most recent IF: 3.836; 2015 IF: 3.736
	Call Number	UA @ lucian @ c:irua:131144			Serial	4232
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	Author	Burriel, M.; Garcia, G.; Rossell, M.D.; Figueras, A.; Van Tendeloo, G.; Santiso, J.
	Title	Enhanced high-temperature electronic transport properties in nanostructured epitaxial thin films of the La_n+1Ni_nO_3n+1 Ruddlesden-Popper series (n = 1, 2, 3, ∞)			Type	A1 Journal article
	Year	2007	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	19	Issue	16	Pages	4056-4062
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000248439400029	Publication Date	2007-07-17
	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	22	Open Access
	Notes				Approved	Most recent IF: 9.466; 2007 IF: 4.883
	Call Number	UA @ lucian @ c:irua:65937			Serial	1050
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	Author	Çakir, D.; Sevik, C.; Peeters, F.M.
	Title	Engineering electronic properties of metal-MoSe₂ interfaces using self-assembled monolayers			Type	A1 Journal article
	Year	2014	Publication	Journal of materials chemistry C : materials for optical and electronic devices	Abbreviated Journal	J Mater Chem C
	Volume	2	Issue	46	Pages	9842-9849
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Metallic contacts are critical components of electronic devices and the presence of a large Schottky barrier is detrimental for an optimal device operation. Here, we show by using first-principles calculations that a self-assembled monolayer (SAM) of polar molecules between the metal electrode and MoSe2 monolayer is able to convert the Schottky contact into an almost Ohmic contact. We choose -CH3 and -CF3 terminated short-chain alkylthiolate (i.e. SCH3 and fluorinated alkylthiolates (SCF3)) based SAMs to test our approach. We consider both high (Au) and low (Sc) work function metals in order to thoroughly elucidate the role of the metal work function. In the case of Sc, the Fermi level even moves into the conduction band of the MoSe2 monolayer upon SAM insertion between the metal surface and the MoSe2 monolayer, and hence possibly switches the contact type from Schottky to Ohmic. The usual Fermi level pinning at the metal-transition metal dichalcogenide (TMD) contact is shown to be completely removed upon the deposition of a SAM. Systematic analysis indicates that the work function of the metal surface and the energy level alignment between the metal electrode and the TMD monolayer can be tuned significantly by using SAMs as a buffer layer. These results clearly indicate the vast potential of the proposed interface engineering to modify the physical and chemical properties of MoSe2.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000344998700007	Publication Date	2014-10-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2050-7526;2050-7534;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.256	Times cited	22	Open Access
	Notes	; Part of this work is supported by the Flemish Science Foundation (FWO-VI) and the Methusalem foundation of the Flemish Government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). D. C. is supported by a FWO Pegasus-short Marie Curie Fellowship. C. S. acknowledges the support from Scientific and Technological Research Council of Turkey (TUBITAK 113F096), Anadolu University (BAP-1306F281, -1404F158) and Turkish Academy of Science (TUBA). ;			Approved	Most recent IF: 5.256; 2014 IF: 4.696
	Call Number	UA @ lucian @ c:irua:122157			Serial	1046
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	Author	Cao, S.; Tirry, W.; van den Broek, W.; Schryvers, D.
	Title	Optimization of a FIB/SEM slice-and-view study of the 3D distribution of Ni₄Ti₃ precipitates in NiTi			Type	A1 Journal article
	Year	2009	Publication	Journal of microscopy	Abbreviated Journal	J Microsc-Oxford
	Volume	233	Issue	1	Pages	61-68
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	The 3D morphology and distribution of lenticular Ni4Ti3 precipitates in the austenitic B2 matrix of a binary Ni51Ti49 alloy has been investigated by a slice-and-view procedure in a dual-beam focused ion beam/scanning electron microscope system. Due to the weak contrast of the precipitates, proper imaging conditions need to be selected first to allow for semi-automated image treatment. Knowledgeable imaging is further needed to ensure that all variants of the precipitates are observed with equal probability, regardless of sample orientation. Finally, a volume ratio of 10.2% for the Ni4Ti3 precipitates could be calculated, summed over all variants, which yields a net composition of Ni50.27Ti49.73 for the matrix, leading to an increase of 125 degrees for the martensitic start temperature. Also, the expected relative orientation of the different variants of the precipitates could be confirmed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000262511900008	Publication Date	2009-01-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-2720;1365-2818;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.692	Times cited	22	Open Access
	Notes	Multimat Fwo; G0465.05			Approved	Most recent IF: 1.692; 2009 IF: 1.612
	Call Number	UA @ lucian @ c:irua:76026			Serial	2486
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	Author	Caretti, I.; Keulemans, M.; Verbruggen, S.W.; Lenaerts, S.; Van Doorslaer, S.
	Title	Light-induced processes in plasmonic Gold/TiO₂ photocatalysts studied by electron paramagnetic resonance			Type	A1 Journal article
	Year	2015	Publication	Topics in catalysis	Abbreviated Journal	Top Catal
	Volume	58	Issue	12	Pages	776-782
	Keywords	A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	X-band and W-band continuous-wave (CW) electron paramagnetic resonance (EPR) was used to study in situ light-induced (LI) mechanisms in commercial P90 titania (90 % anatase/10 % rutile) compared to plasmon-enhanced Au-P90 photocatalyst. These materials were excited using UV and 532 nm visible light to generate different excitation states and distinguish pure charge separation from plasmon-assisted resonance processes. Up to nine different photoinduced species of trapped electrons and holes were identified. LI CW EPR of P90 is presented for the first time, showing a UV excitation response similar to the well-known mixed-phase P25 titania. It is shown that incorporation of Au nanoparticles in Au-P90 and formation of a Schottky junction affects the charge separation state of the catalyst under UV light. Moreover, Au impregnation activated P90 through plasmon hot electron injection under visible light excitation (plasmonic sensitization effect). In general, EPR proved to be crucial to determine the different photoexciation paths and reactions that regulate plasmonic photocatalysis.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000360011200008	Publication Date	2015-08-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1022-5528	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.486	Times cited	22	Open Access
	Notes	; IC and SVD acknowledge the Research Foundation-Flanders (FWO) for financial support (Grant G.0687.13). SV thanks FWO for financial support through a postdoctoral fellowship and MK acknowledges the agency for Innovation by Science and Technology in Flanders (IWT) for financial support (Ph.D. Grant). ;			Approved	Most recent IF: 2.486; 2015 IF: 2.365
	Call Number	UA @ admin @ c:irua:127413			Serial	5968
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	Author	Cavalcante, L.S.R.; Chaves, A.; Van Duppen, B.; Peeters, F.M.; Reichman, D.R.
	Title	Electrostatics of electron-hole interactions in van der Waals heterostructures			Type	A1 Journal article
	Year	2018	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	97	Issue	12	Pages	125427
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The role of dielectric screening of electron-hole interaction in van der Waals heterostructures is theoretically investigated. A comparison between models available in the literature for describing these interactions is made and the limitations of these approaches are discussed. A simple numerical solution of Poisson's equation for a stack of dielectric slabs based on a transfer matrix method is developed, enabling the calculation of the electron-hole interaction potential at very low computational cost and with reasonable accuracy. Using different potential models, direct and indirect exciton binding energies in these systems are calculated within Wannier-Mott theory, and a comparison of theoretical results with recent experiments on excitons in two-dimensional materials is discussed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000427983700007	Publication Date	2018-03-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	22	Open Access
	Notes	Discussions with A. Chernikov and A. Raja are gratefully acknowledged. This work has been financially supported by CNPq, through the PRONEX/FUNCAP, PQ, and Science Without Borders programs, and the FWO-CNPq bilateral program between Brazil and Flanders. B.V.D. acknowledges support from the Flemish Science Foundation (FWO-Vl) through a postdoctoral fellowship. D.R.R. was supported by NSF CHE-1464802.			Approved	Most recent IF: 3.836
	Call Number	CMT @ cmt @c:irua:150835UA @ admin @ c:irua:150835			Serial	4953
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	Author	Clima, S.; Govoreanu, B.; Jurczak, M.; Pourtois, G.
	Title	HfO_x as RRAM material : first principles insights on the working principles			Type	A1 Journal article
	Year	2014	Publication	Microelectronic engineering	Abbreviated Journal	Microelectron Eng
	Volume	120	Issue		Pages	13-18
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	First-principles simulations were employed to gain atomistic insights on the working principles of amorphous HfO2 based Resistive Random Access Memory stack: the nature of the defect responsible for the switching between the High and Low Resistive States has been unambiguously identified to be the substoichiometric Hf sites (commonly called oxygen vacancy-V-O) and the kinetics of the process have been investigated through the study of O diffusion. Also the role of each material layer in the TiN/HfO2/Hf/TiN RRAM stack and the impact of the deposition techniques have been examined: metallic Hf sputtering is needed to provide an oxygen exchange layer that plays the role of defect buffer. TiN shall be a good defect barrier for O but a bad defect buffer layer. A possible scenario to explain the device degradation (switching failure) mechanism has been proposed – the relaxation of the metastable amorphous phase towards crystalline structure leads to denser, more structured cluster that can increase the defect migration barriers. (C) 2013 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000336697300004	Publication Date	2013-08-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0167-9317;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.806	Times cited	22	Open Access
	Notes				Approved	Most recent IF: 1.806; 2014 IF: 1.197
	Call Number	UA @ lucian @ c:irua:117767			Serial	3535
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	Author	da Costa, D.R.; Zarenia, M.; Chaves, A.; Farias, G.A.; Peeters, F.M.
	Title	Magnetic field dependence of energy levels in biased bilayer graphene quantum dots			Type	A1 Journal article
	Year	2016	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	93	Issue	93	Pages	085401
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using the tight-binding approach, we study the influence of a perpendicular magnetic field on the energy levels of hexagonal, triangular, and circular bilayer graphene (BLG) quantum dots (QDs) with zigzag and armchair edges. We obtain the energy levels for AB (Bernal)-stacked BLG QDs in both the absence and the presence of a perpendicular electric field (i.e., biased BLG QDs). We find different regions in the spectrum of biased QDs with respect to the crossing point between the lowest-electron and -hole Landau levels of a biased BLG sheet. Those different regions correspond to electron states that are localized at the center, edge, or corner of the BLG QD. Quantum Hall corner states are found to be absent in circular BLG QDs. The spatial symmetry of the carrier density distribution is related to the symmetry of the confinement potential, the position of zigzag edges, and the presence or absence of interlayer inversion symmetry.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000369402400008	Publication Date	2016-02-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	22	Open Access
	Notes	; This work was financially supported by CNPq, under Contract No. NanoBioEstruturas 555183/2005-0, PRONEX/FUNCAP, CAPES Foundation under the Process No. BEX 7178/13-1, the Flemish Science Foundation (FWO-Vl), the Bilateral programme between CNPq and FWO-Vl, and the Brazilian Program Science Without Borders (CsF). ;			Approved	Most recent IF: 3.836
	Call Number	c:irua:131623			Serial	4038
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	Author	da Silva, R.M.; Milošević, M.V.; Dominguez, D.; Peeters, F.M.; Albino Aguiar, J.
	Title	Distinct magnetic signatures of fractional vortex configurations in multiband superconductors			Type	A1 Journal article
	Year	2014	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	105	Issue	23	Pages	232601
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Vortices carrying fractions of a flux quantum are predicted to exist in multiband superconductors, where vortex core can split between multiple band-specific components of the superconducting condensate. Using the two-component Ginzburg-Landau model, we examine such vortex configurations in a two-band superconducting slab in parallel magnetic field. The fractional vortices appear due to the band-selective vortex penetration caused by different thresholds for vortex entry within each band-condensate, and stabilize near the edges of the sample. We show that the resulting fractional vortex configurations leave distinct fingerprints in the static measurements of the magnetization, as well as in ac dynamic measurements of the magnetic susceptibility, both of which can be readily used for the detection of these fascinating vortex states in several existing multiband superconductors. (C) 2014 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000346266000066	Publication Date	2014-12-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951;1077-3118;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	22	Open Access
	Notes	; This work was supported by the Brazilian science agencies CAPES (Grant No. PNPD 223038.003145/2011-00), CNPq (Grant Nos. 307552/2012-8, 141911/2012-3, and APV-4 02937/2013-9), and FACEPE (Grant Nos. APQ-0202-1.05/10 and BCT-0278-1.05/ 11), the Research Foundation Flanders (FWO-Vlaanderen), and by the CNPq-FWO cooperation programme (CNPq Grant No. 490297/2009-9). D.D. acknowledges support from CONICET, CNEA, and ANPCyT-PICT2011-1537. The authors thank A. A. Shanenko for extensive discussions on the topic. ;			Approved	Most recent IF: 3.411; 2014 IF: 3.302
	Call Number	UA @ lucian @ c:irua:122775			Serial	742
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	Author	den Dekker, A.J.; Van Aert, S.; van Dyck, D.; van den Bos, A.; Geuens, P.
	Title	Does a monochromator improve the precision in quantitative HRTEM?			Type	A1 Journal article
	Year	2001	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	89	Issue		Pages	275-290
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000172667000004	Publication Date	2002-07-25
	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	22	Open Access
	Notes				Approved	Most recent IF: 2.843; 2001 IF: 1.890
	Call Number	UA @ lucian @ c:irua:47518			Serial	746
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	Author	Deo, P.S.; Peeters, F.M.; Schweigert, V.A.
	Title	Mesoscopic superconducting disks			Type	A1 Journal article
	Year	1999	Publication	Superlattices and microstructures	Abbreviated Journal	Superlattice Microst
	Volume	25	Issue		Pages	1195-1211
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000082323800050	Publication Date	2002-09-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0749-6036;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.123	Times cited	22	Open Access
	Notes				Approved	Most recent IF: 2.123; 1999 IF: 0.649
	Call Number	UA @ lucian @ c:irua:26991			Serial	2001
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	Author	Deshmukh, S.; Sankaran, K.J.; Korneychuk, S.; Verbeeck, J.; Mclaughlin, J.; Haenen, K.; Roy, S.S.
	Title	Nanostructured nitrogen doped diamond for the detection of toxic metal ions			Type	A1 Journal article
	Year	2018	Publication	Electrochimica acta	Abbreviated Journal	Electrochim Acta
	Volume	283	Issue	283	Pages	1871-1878
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	This work demonstrates the applicability of one-dimensional nitrogen-doped diamond nanorods (N-DNRs) for the simultaneous electrochemical (EC) detection of Pb2+ and Cd2+ ions in an electrolyte solution. Well separated voltammetric peaks are observed for Pb2+ and Cd2+ ions using N-DNRs as a working electrode in square wave anodic stripping voltammetry measurements. Moreover, the cyclic voltammetry response of N-DNR electrodes towards the Fe(CN)(6)(/4-)/Fe(CN)(6)(/3-) redox reaction is better as compared to undoped DNR electrodes. This enhancement of EC performance in N-DNR electrodes is accounted by the increased amount of sp(2) bonded nanographitic phases, enhancing the electrical conductivity at the grain boundary (GB) regions. These findings are supported by transmission electron microscopy and electron energy loss spectroscopy studies. Consequently, the GB defect induced N-DNRs exhibit better adsorption of metal ions, which makes such samples promising candidates for next generation EC sensing devices. (C) 2018 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000441077900203	Publication Date	2018-07-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0013-4686	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.798	Times cited	22	Open Access
	Notes	Sujit Deshmukh indebted to Shiv Nadar University for providing Ph. D. scholarship. The FEI Quanta SEM and Qu-Ant-EM microscope used for the TEM experiments was partly funded by the Hercules fund from the Flemish Government. S. K. and J. V. acknowledge funding from GOA project “Solarpaint” of the University of Antwerp. Kamatchi Jothiramalingam Sankaran is a Postdoctoral Fellow of the Research Foundation-Flanders (FWO). Prof. Ken Haenen acknowledges the Methusalem “NANO” network for financial support.			Approved	Most recent IF: 4.798
	Call Number	UA @ admin @ c:irua:153072			Serial	5366
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	Author	Dong, Y.; Chen, S.-Y.; Lu, Y.; Xiao, Y.-X.; Hu, J.; Wu, S.-M.; Deng, Z.; Tian, G.; Chang, G.-G.; Li, J.; Lenaerts, S.; Janiak, C.; Yang, X.-Y.; Su, B.-L.
	Title	Hierarchical MoS₂@TiO₂ heterojunctions for enhanced photocatalytic performance and electrocatalytic hydrogen evolution			Type	A1 Journal article
	Year	2018	Publication	Chemistry: an Asian journal	Abbreviated Journal	Chem-Asian J
	Volume	13	Issue	12	Pages	1609-1615
	Keywords	A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Hierarchical MoS2@TiO2 heterojunctions were synthesized through a one-step hydrothermal method by using protonic titanate nanosheets as the precursor. The TiO2 nanosheets prevent the aggregation of MoS2 and promote the carrier transfer efficiency, and thus enhance the photocatalytic and electrocatalytic activity of the nanostructured MoS2. The obtained MoS2@TiO2 has significantly enhanced photocatalytic activity in the degradation of rhodamineB (over 5.2times compared with pure MoS2) and acetone (over 2.8times compared with pure MoS2). MoS2@TiO2 is also beneficial for electrocatalytic hydrogen evolution (26times compared with pure MoS2, based on the cathodic current density). This work offers a promising way to prevent the self-aggregation of MoS2 and provides a new insight for the design of heterojunctions for materials with lattice mismatches.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000435773300011	Publication Date	2018-04-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1861-4728; 1861-471x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.083	Times cited	22	Open Access
	Notes	; This work was supported by the National Key R&D Program of China (2017YFC1103800), PCSIRT (IRT15R52), NSFC (U1662134, U1663225, 51472190, 51611530672, 51503166, 21706199, 21711530705), ISTCP (2015DFE52870), HPNSF (2016CFA033, 2017CFB487), and SKLPPC (PPC2016007). ;			Approved	Most recent IF: 4.083
	Call Number	UA @ admin @ c:irua:151971			Serial	5956
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	Author	Egoavil, R.; Gauquelin, N.; Martinez, G.T.; Van Aert, S.; Van Tendeloo, G.; Verbeeck, J.
	Title	Atomic resolution mapping of phonon excitations in STEM-EELS experiments			Type	A1 Journal article
	Year	2014	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	147	Issue		Pages	1-7
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Atomically resolved electron energy-loss spectroscopy experiments are commonplace in modern aberration-corrected transmission electron microscopes. Energy resolution has also been increasing steadily with the continuous improvement of electron monochromators. Electronic excitations however are known to be delocalized due to the long range interaction of the charged accelerated electrons with the electrons in a sample. This has made several scientists question the value of combined high spatial and energy resolution for mapping interband transitions and possibly phonon excitation in crystals. In this paper we demonstrate experimentally that atomic resolution information is indeed available at very low energy losses around 100 meV expressed as a modulation of the broadening of the zero loss peak. Careful data analysis allows us to get a glimpse of what are likely phonon excitations with both an energy loss and gain part. These experiments confirm recent theoretical predictions on the strong localization of phonon excitations as opposed to electronic excitations and show that a combination of atomic resolution and recent developments in increased energy resolution will offer great benefit for mapping phonon modes in real space.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000343157400001	Publication Date	2014-05-29
	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	22	Open Access
	Notes	246102 IFOX; 278510 VORTEX; 246791 COUNTATOMS; Hercules; 312483 ESTEEM2; esteem2jra3 ECASJO;			Approved	Most recent IF: 2.843; 2014 IF: 2.436
	Call Number	UA @ lucian @ c:irua:118332UA @ admin @ c:irua:118332			Serial	177
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	Author	Freire, J.A.K.; Matulis, A.; Peeters, F.M.; Freire, V.N.; Farias, G.A.
	Title	Confinement of two-dimensional excitons in a non-homogeneous magnetic field			Type	A1 Journal article
	Year	2000	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	61	Issue		Pages	2895-2903
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000085348300074	Publication Date	2002-07-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0163-1829;1095-3795;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	22	Open Access
	Notes				Approved	Most recent IF: 3.836; 2000 IF: NA
	Call Number	UA @ lucian @ c:irua:28515			Serial	489
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	Author	Geurts, R.; Milošević, M.V.; Peeters, F.M.
	Title	Stabilization of vortex-antivortex configurations in mesoscopic superconductors by engineered pinning			Type	A1 Journal article
	Year	2007	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	75	Issue		Pages	184511,1-11
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000246890600093	Publication Date	2007-05-14
	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	22	Open Access
	Notes				Approved	Most recent IF: 3.836; 2007 IF: 3.172
	Call Number	UA @ lucian @ c:irua:69649			Serial	3139
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	Author	Godoi, R.H.M.; Godoi, A.F.L.; Gonçalves jr., S.J.; Paralovo, S.L.; Borillo, G.C.; Gregório Barbosa, C.G.; Arantes, M.G.; Rosário Filho, N.A.; Grassi, M.T.; Yamamoto, C.I.; Potgieter-Vermaak, S.; Rotondo, G.G.; De Wael, K.; Van Grieken, R.
	Title	Healthy environment : indoor air quality of Brazilian elementary schools nearby petrochemical industry			Type	A1 Journal article
	Year	2013	Publication	The science of the total environment	Abbreviated Journal	Sci Total Environ
	Volume	463	Issue		Pages	639-646
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	The mitigation of pollution released to the environment originating fromthe industrial sector has been the aimof all policy-makers and its importance is evident if the adverse health effects on the world population are considered. Although this concern is controversial, petroleum refinery has been linked to some adverse health effects for people living nearby. Apart from home, school is the most important indoor environment for children and there is increasing concern about the school environment and its impact on health, also in developing countries where the prevalence of pollution is higher. As most of the children spend more than 40% of their time in schools, it is critical to evaluate the pollution level in such environment. In the metropolitan region of Curitiba, South Brazil, five schools nearby industries and highways with high density traffic, were selected to characterize the aerosol and gaseous compounds indoor and outdoor of the classrooms, during 20092011. Size segregated aerosol samples were collected for analyses of bulk and single particle elemental profiles. They were analyzed by electron probe X-ray micro-analysis (EPXMA), and by energy-dispersive X-ray fluorescence (EDXRF), to investigate the elemental composition of individual particles and bulk samples. The concentrations of benzene, toluene, ethylbenzene, and xylene (BTEX); NO2; SO2; acetic acid; and formic acid were assessed indoor and outdoor using passive diffusion tubes. BTEX were analyzed by GCMS and other collected gasses by ion chromatography. Individual exposition of BTEX was assessed by personal passive diffusion tubes. Results are interpreted separately and as a whole with the specific aim of identifying compounds that could affect the health of the scholars. In view of the chemical composition and size distribution of the aerosol particles, local deposition efficiencies in the children's respiratory systems were calculated, revealing the deposition of particles at extrathoracic, tracheobronchial and pulmonary levels.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000325831200072	Publication Date	2013-07-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0048-9697	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.9	Times cited	22	Open Access
	Notes	; We would like to thank Araucaria Foundation and the National Council for Scientific and Technological Development (CNPq) who supported the funding and promoted the development of this study. ;			Approved	Most recent IF: 4.9; 2013 IF: 3.163
	Call Number	UA @ admin @ c:irua:108954			Serial	5637
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