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	Author	Colin D. Judge, Nicolas Gauquelin, Lori Walters, Mike Wright, James I. Cole, James Madden, Gianluigi A. Botton, Malcolm Griffiths
	Title	Intergranular fracture in irradiated Inconel X-750 containing very high concentrations of helium and hydrogen			Type	A1 Journal Article
	Year	2015	Publication	Journal of Nuclear Materials	Abbreviated Journal
	Volume	457	Issue	457	Pages	165-172
	Keywords	A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
	Abstract	In recent years, it has been observed that Inconel X-750 spacers in CANDU reactors exhibits lower ductility with reduced load carrying capacity following irradiation in a reactor environment. The fracture behaviour of ex-service material was also found to be entirely intergranular at high doses. The thermalized flux spectrum in a CANDU reactor leads to transmutation of 58Ni to 59Ni. The 59Ni itself has unusually high thermal neutron reaction cross-sections of the type: (n, γ), (n, p), and (n, α). The latter two reactions, in particular, contribute to a significant enhancement of the atomic displacements in addition to creating high concentrations of hydrogen and helium within the material. Microstructural examinations by transmission electron microscopy (TEM) have confirmed the presence of helium bubbles in the matrix and aligned along grain boundaries and matrix–precipitate interfaces. Helium bubble size and density are found to be highly dependent on the irradiation temperature and material microstructure; the bubbles are larger within grain boundary precipitates. TEM specimens extracted from fracture surfaces and crack tips provide information that is consistent with crack propagation along grain boundaries due to the presence of He bubbles.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000349169100022	Publication Date	2014-11-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links
	Impact Factor		Times cited	29	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	EMAT @ emat @			Serial	4540
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	Author	Van Tendeloo, G.; Amelinckx, S.; Darriet, B.; Bontchev, R.; Darriet, J.; Weill, F.
	Title	Structural considerations and HREM on La_nTi_n-\deltaO_3n (n≥4δ)			Type	A1 Journal article
	Year	1994	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	108	Issue		Pages	314-335
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	A1994MU65200016	Publication Date	0000-00-00
	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	2.133	Times cited	29	Open Access
	Notes				Approved
	Call Number	UA @ lucian @ c:irua:10022			Serial	3227
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	Author	Ardashnikova, E.I.; Lubarsky, S.V.; Denisenko, D.I.; Shpanchenko, R.V.; Antipov, E.V.; Van Tendeloo, G.
	Title	A new way of synthesis and characterization of superconducting oxyfluoride Sr₂Cu(O,F)_4+\delta			Type	A1 Journal article
	Year	1995	Publication	Physica: C : superconductivity	Abbreviated Journal	Physica C
	Volume	253	Issue	3/4	Pages	259-265
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Superconducting Cu mixed oxyfluoride, Sr,Cu(O, F)(4+delta), was Obtained via fluorination of Sr2CuO3 by XeF2 in the 100-250 degrees C temperature range in a closed Ni container. The prepared samples exhibited a lower T-c in comparison with earlier reported values. Different samples in the Sr-Cu-O-F system were prepared by a solid-state reaction at 220-400 degrees C, but no formation of the oxyfluoride was detected even with an addition of xenon difluoride. These data allow one to draw conclusions on the metastability of the oxyfluoride under the conditions used, Electron microscopy and X-ray powder diffraction studies revealed large amounts of badly crystallized SrF2; this could be a reason for the small superconducting volume fraction as well as for the inhomogeneous distribution of the anions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	A1995TE08400007	Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0921-4534	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	0.942	Times cited	29	Open Access
	Notes				Approved	PHYSICS, APPLIED 28/145 Q1 #
	Call Number	UA @ lucian @ c:irua:13322			Serial	2337
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	Author	Frangis, N.; van Landuyt, J.; Kaltsas, G.; Travlos, A.; Nassiopoulos, A.G.
	Title	Growth of erbium-silicide films on (100) silicon as characterised by electron microscopy and diffraction			Type	A1 Journal article
	Year	1997	Publication	Journal of crystal growth	Abbreviated Journal	J Cryst Growth
	Volume	172	Issue		Pages	175-182
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	A1997WL48900024	Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-0248	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.751	Times cited	29	Open Access
	Notes				Approved	Most recent IF: 1.751; 1997 IF: 1.259
	Call Number	UA @ lucian @ c:irua:21402			Serial	1394
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	Author	Verbeeck, J.; Béché, A.; van den Broek, W.
	Title	A holographic method to measure the source size broadening in STEM			Type	A1 Journal article
	Year	2012	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	120	Issue		Pages	35-40
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Source size broadening is an important resolution limiting effect in modern STEM experiments. Here, we propose an alternative method to measure the source size broadening making use of a holographic biprism to create interference patterns in an empty Ronchigram. This allows us to measure the exact shape of the source size broadening with a much better sampling than previously possible. We find that the shape of the demagnified source deviates considerably from a Gaussian profile that is often assumed. We fit the profile with a linear combination of a Gaussian and a bivariate Cauchy distribution showing that even though the full width at half maximum is similar to previously reported measurements, the tails of the profile are considerable wider. This is of fundamental importance for quantitative comparison of STEM simulations with experiments as these tails make the image contrast dependent on the interatomic distance, an effect that cannot be reproduced by a single Gaussian profile of fixed width alone.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000308082600005	Publication Date	2012-06-01
	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	29	Open Access
	Notes	This work was supported by funding from the European Research Council under the 7th Framework Program (FP7), ERC Grant no. 246791 COUNTATOMS and ERC Starting Grant 278510 VORTEX. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. W. Van den Broek acknowledges funding from the Condor project, a project under the supervision of the Embedded Systems Institute (ESI) and FEI. This project is partially supported by the Dutch Ministry of Economic Affairs under the BSIK program. ECASJO_;			Approved	Most recent IF: 2.843; 2012 IF: 2.470
	Call Number	UA @ lucian @ c:irua:100466UA @ admin @ c:irua:100466			Serial	1483
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	Author	Schulze, A.; Hantschel, T.; Dathe, A.; Eyben, P.; Ke, X.; Vandervorst, W.
	Title	Electrical tomography using atomic force microscopy and its application towards carbon nanotube-based interconnects			Type	A1 Journal article
	Year	2012	Publication	Nanotechnology	Abbreviated Journal	Nanotechnology
	Volume	23	Issue	30	Pages	305707
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The fabrication and integration of low-resistance carbon nanotubes (CNTs) for interconnects in future integrated circuits requires characterization techniques providing structural and electrical information at the nanometer scale. In this paper we present a slice-and-view approach based on electrical atomic force microscopy. Material removal achieved by successive scanning using doped ultra-sharp full-diamond probes, manufactured in-house, enables us to acquire two-dimensional (2D) resistance maps originating from different depths (equivalently different CNT lengths) on CNT-based interconnects. Stacking and interpolating these 2D resistance maps results in a three-dimensional (3D) representation (tomogram). This allows insight from a structural (e.g. size, density, distribution, straightness) and electrical point of view simultaneously. By extracting the resistance evolution over the length of an individual CNT we derive quantitative information about the resistivity and the contact resistance between the CNT and bottom electrode.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Bristol	Editor
	Language		Wos	000306333500029	Publication Date	2012-07-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0957-4484;1361-6528;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.44	Times cited	29	Open Access
	Notes				Approved	Most recent IF: 3.44; 2012 IF: 3.842
	Call Number	UA @ lucian @ c:irua:100750			Serial	895
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	Author	Shi, H.; Pourbabak, S.; Van Humbeeck, J.; Schryvers, D.
	Title	Electron microscopy study of Nb-rich nanoprecipitates in NiTiNb and their influence on the martensitic transformation			Type	A1 Journal article
	Year	2012	Publication	Scripta materialia	Abbreviated Journal	Scripta Mater
	Volume	67	Issue	12	Pages	939-942
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Nb-rich nanoprecipitates in the matrix of an annealed commercial NiTiNb alloy are investigated by scanning and transmission electron microscopy, including slice-and-view and chemical analysis. The precipitates have a diameter of around 100 nm, are faceted and have a cube-on-cube relation with the B2 matrix. In situ TEM cooling shows that the martensitic transformation is hampered by the presence of these precipitates. The latter could explain the increase in hysteresis when compared with the binary system.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000311135000005	Publication Date	2012-08-27
	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	29	Open Access
	Notes	Fwo			Approved	Most recent IF: 3.747; 2012 IF: 2.821
	Call Number	UA @ lucian @ c:irua:101486			Serial	971
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	Author	Nowak, M.P.; Szafran, B.; Peeters, F.M.
	Title	Resonant harmonic generation and collective spin rotations in electrically driven quantum dots			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	86	Issue	12	Pages	125428
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Spin rotations induced by an ac electric field in a two-electron double quantum dot are studied by an exact numerical solution of the time-dependent Schrodinger equation in the context of recent electric-dipole spin resonance experiments on gated nanowires. We demonstrate that the splitting of the main resonance line by the spin exchange coupling is accompanied by the appearance of fractional resonances and that both these effects are triggered by interdot tunnel coupling. We find that the ac-driven system generates residual but distinct harmonics of the driving frequency, which are amplified when tuned to the main transition frequency. The mechanism is universal for electron systems in electrically driven potentials and works also in the absence of electron-electron interaction or spin-orbit coupling.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000308867300005	Publication Date	2012-09-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	29	Open Access
	Notes	; This work was supported by funds of the Ministry of Science and Higher Education (MNiSW) for 2012-2013 under Project No. IP2011038671, and by PL-Grid Infrastructure. M.P.N. gratefully acknowledges support from the Foundation for Polish Science (FNP) under START and MPD program cofinanced by the EU European Regional Development Fund. ;			Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:101839			Serial	2885
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	Author	Villani, K.; Vermandel, W.; Smets, K.; Liang, D.; Van Tendeloo, G.; Martens, J.A.
	Title	Platinum particle size and support effects in NO_x mediated carbon oxidation over platinum catalysts			Type	A1 Journal article
	Year	2006	Publication	Environmental science & technology	Abbreviated Journal	Environ Sci Technol
	Volume	40	Issue	8	Pages	2727-2733
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Platinum metal was dispersed on microporous, mesoporous, and nonporous support materials including the zeolites Na-Y, Ba-Y, Ferrierite, ZSM-22, ETS-10, and AlPO-11, alumina, and titania. The oxidation of carbon black loosely mixed with catalyst powder was monitored gravimetrically in a gas stream containing nitric oxide, oxygen, and water. The carbon oxidation activity of the catalysts was found to be uniquely related to the Pt dispersion and little influenced by support type. The optimum dispersion is around 3-4% corresponding to relatively large Pt particle sizes of 2040 nm. The carbon oxidation activity reflects the NO oxidation activity of the platinum catalyst, which reaches an optimum in the 20-40 nm Pt particle size range. The lowest carbon oxidation temperatures were achieved with platinum loaded ZSM-22 and AlPO-11 zeolite crystallites bearing platinum of optimum dispersion on their external surfaces.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000236992700038	Publication Date	2006-04-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0013-936X;1520-5851;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.198	Times cited	29	Open Access
	Notes	Comet; Goa			Approved	Most recent IF: 6.198; 2006 IF: 4.040
	Call Number	UA @ lucian @ c:irua:103628			Serial	2651
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	Author	Vodolazov, D.Y.; Baelus, B.J.; Peeters, F.M.
	Title	Stationary-phase slip state in quasi-one-dimensional rings			Type	A1 Journal article
	Year	2002	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	66	Issue	5	Pages	054531-54536
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The nonuniform superconducting state in a ring in which the order parameter vanishing at one point is studied. This state is characterized by a jump of the phase by pi at the point where the order parameter becomes zero. In uniform rings such a state is a saddle-point state and consequently unstable. However, for nonuniform rings with, e.g., variations of geometrical or physical parameters or with attached wires this state can be stabilized and may be realized experimentally.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000177873000137	Publication Date	2002-10-01
	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	29	Open Access
	Notes				Approved	Most recent IF: 3.836; 2002 IF: NA
	Call Number	UA @ lucian @ c:irua:104147			Serial	3152
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	Author	Bings, N.H.; Bogaerts, A.; Broekaert, J.A.C.
	Title	Atomic spectroscopy			Type	A1 Journal article
	Year	2013	Publication	Analytical chemistry	Abbreviated Journal	Anal Chem
	Volume	85	Issue	2	Pages	670-704
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000313668400013	Publication Date	2012-11-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-2700;1520-6882;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.32	Times cited	29	Open Access
	Notes				Approved	Most recent IF: 6.32; 2013 IF: 5.825
	Call Number	UA @ lucian @ c:irua:104719			Serial	190
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	Author	Filippousi, M.; Papadimitriou, S.A.; Bikiaris, D.N.; Pavlidou, E.; Angelakeris, M.; Zamboulis, D.; Tian, H.; Van Tendeloo, G.
	Title	Novel coreshell magnetic nanoparticles for Taxol encapsulation in biodegradable and biocompatible block copolymers : preparation, characterization and release properties			Type	A1 Journal article
	Year	2013	Publication	International journal of pharmaceutics	Abbreviated Journal	Int J Pharmaceut
	Volume	448	Issue	1	Pages	221-230
	Keywords	A1 Journal article; Pharmacology. Therapy; Electron microscopy for materials research (EMAT)
	Abstract	Theranostic polymeric nanocarriers loaded with anticancer drug Taxol and superparamagnetic iron oxide nanocrystals have been developed for possible magnetic resonance imaging (MRI) use and cancer therapy. Multifunctional nanocarriers with a coreshell structure have been prepared by coating superparamagnetic Fe3O4 nanoparticles with block copolymer of poly(ethylene glycol)-b-poly(propylene succinate) with variable molecular weights of the hydrophobic block poly(prolylene succinate). The multifunctional polymer nano-vehicles were prepared using a nanoprecipitation method. Scanning transmission electron microscopy revealed the encapsulation of magnetic nanoparticles inside the polymeric matrix. Energy dispersive X-ray spectroscopy and electron energy loss spectroscopy mapping allowed us to determine the presence of the different material ingredients in a quantitative way. The diameter of the nanoparticles is below 250 nm yielding satisfactory encapsulation efficiency. The nanoparticles exhibit a biphasic drug release pattern in vitro over 15 days depending on the molecular weight of the hydrophobic part of the polymer matrix. These new systems where anti-cancer therapeutics like Taxol and iron oxide nanoparticles (IOs) are co-encapsulated into new facile polymeric nanoparticles, could be addressed as potential multifunctional vehicles for simultaneous drug delivery and targeting imaging as well as real time monitoring of therapeutic effects.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000319052000026	Publication Date	2013-03-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0378-5173;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.649	Times cited	29	Open Access
	Notes	Countatoms			Approved	Most recent IF: 3.649; 2013 IF: 3.785
	Call Number	UA @ lucian @ c:irua:107348			Serial	2374
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	Author	Grujić, M.; Tadić, M.; Peeters, F.M.
	Title	Antiferromagnetism in hexagonal graphene structures : rings versus dots			Type	A1 Journal article
	Year	2013	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	87	Issue	8	Pages	085434-85436
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Themean-field Hubbard model is used to investigate the formation of the antiferromagnetic phase in hexagonal graphene rings with inner zigzag edges. The outer edge of the ring was taken to be either zigzag or armchair, and we found that both types of structures can have a larger antiferromagnetic interaction as compared with hexagonal dots. This difference could be partially ascribed to the larger number of zigzag edges per unit area in rings than in dots. Furthermore, edge states localized on the inner ring edge are found to hybridize differently than the edge states of dots, which results in important differences in the magnetism of graphene rings and dots. The largest staggered magnetization is found when the outer edge has a zigzag shape. However, narrow rings with armchair outer edge are found to have larger staggered magnetization than zigzag hexagons. The edge defects are shown to have the least effect on magnetization when the outer ring edge is armchair shaped. DOI: 10.1103/PhysRevB.87.085434
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000315146600005	Publication Date	2013-02-20
	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	29	Open Access
	Notes	; This work was supported by the EuroGRAPHENE programme of the ESF (project CONGRAN), the Serbian Ministry of Education, Science, and Technological Development, and the Flemish Science Foundation (FWO-VI). ;			Approved	Most recent IF: 3.836; 2013 IF: 3.664
	Call Number	UA @ lucian @ c:irua:107661			Serial	137
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	Author	Samal, D.; Tan, H.; Molegraaf, H.; Kuiper, B.; Siemons, W.; Bals, S.; Verbeeck, J.; Van Tendeloo, G.; Takamura, Y.; Arenholz, E.; Jenkins, C.A.; Rijnders, G.; Koster, G.
	Title	Experimental evidence for oxygen sublattice control in polar infinite layer SrCuO₂			Type	A1 Journal article
	Year	2013	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	111	Issue	9	Pages	096102-96105
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A recent theoretical study [ Phys. Rev. B 85 121411(R) (2012)] predicted a thickness limit below which ideal polar cuprates turn nonpolar driven by the associated electrostatic instability. Here we demonstrate this possibility by inducing a structural transformation from the bulk planar to chainlike structure upon reducing the SrCuO2 repeat thickness in SrCuO2/SrTiO3 superlattices with unit-cell precision. Our results, based on structural investigation by x-ray diffraction and high resolution scanning transmission electron microscopy, demonstrate that the oxygen sublattice can essentially be built by design. In addition, the electronic structure of the chainlike structure, as studied by x-ray absorption spectroscopy, shows the signature for preferential hole occupation in the Cu 3d3z2-r2 orbital, which is different from the planar case.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000323610800023	Publication Date	2013-08-27
	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	29	Open Access
	Notes	This work was carried out with financial support from AFOSR and EOARD project (Project No. FA8655-10-1-3077) and also supported by funding from the European Research Council under the 7th Framework Program (FP7), ERC Grant No. 246791-COUNTATOMS and ERC Starting Grant No. 278510 VORTEX. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. This work was partially funded by the European Union Council under the 7th Framework Program (FP7) Grant No. NMP3-LA-2010-246102 IFOX. The authors acknowledge financial support from the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure No. 312483-ESTEEM2. Advanced Light Source is supported by the Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy (DOE) under Contract No. DE-AC02-05CH11231. Y. T. acknowledges support from the National Science Foundation (DMR-0747896). W. S. was supported by the US DOE, Basic Energy Sciences, Materials Sciences and Engineering Division. D. S. thanks Z. Zhong from Vienna University of Technology, Austria for scientific discussion. ECASJO_;			Approved	Most recent IF: 8.462; 2013 IF: 7.728
	Call Number	UA @ lucian @ c:irua:109452UA @ admin @ c:irua:109452			Serial	1140
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	Author	Tan, H.; Tian, H.; Verbeeck, J.; Janssens, K.; Van Tendeloo, G.
	Title	Nanoscale investigation of the degradation mechanism of a historical chrome yellow paint by quantitative electron energy loss spectroscopy mapping of chromium species			Type	A1 Journal article
	Year	2013	Publication	Angewandte Chemie: international edition in English	Abbreviated Journal	Angew Chem Int Edit
	Volume	52	Issue	43	Pages	11360-11363
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Getting the picture: The investigation of 100 year old chrome yellow paint by transmission electron microscopy and spectroscopy has led to the identification of four types of coreshell particles. This nanoscale investigation has allowed a mechanism to be proposed for the darkening of some bright yellow colors in Van Gogh's paintings (e.g. in Falling leaves (Les Alyscamps), 1888).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000330735800026	Publication Date	2013-09-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1433-7851;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	11.994	Times cited	29	Open Access
	Notes	Esteem2; Vortex; Countatoms; esteem2jra3 ECASJO;			Approved	Most recent IF: 11.994; 2013 IF: 11.336
	Call Number	UA @ lucian @ c:irua:110947UA @ admin @ c:irua:110947			Serial	2266
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	Author	Zarenia, M.; Partoens, B.; Chakraborty, T.; Peeters, F.M.
	Title	Electron-electron interactions in bilayer graphene quantum dots			Type	A1 Journal article
	Year	2013	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	88	Issue	24	Pages	245432-245435
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A parabolic quantum dot (QD) as realized by biasing nanostructured gates on bilayer graphene is investigated in the presence of electron-electron interaction. The energy spectrum and the phase diagram reveal unexpected transitions as a function of a magnetic field. For example, in contrast to semiconductor QDs, we find a valley transition rather than only the usual singlet-triplet transition in the ground state of the interacting system. The origin of these features can be traced to the valley degree of freedom in bilayer graphene. These transitions have important consequences for cyclotron resonance experiments.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000328688600010	Publication Date	2014-01-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	29	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES program EuroGRAPHENE (project CONGRAN), and the Methusalem foundation of the Flemish Government. T. C. is supported by the Canada Research Chairs program of the Government of Canada. ;			Approved	Most recent IF: 3.836; 2013 IF: 3.664
	Call Number	UA @ lucian @ c:irua:113698			Serial	926
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	Author	Aerts, R.; Snoeckx, R.; Bogaerts, A.
	Title	In-situ chemical trapping of oxygen in the splitting of carbon dioxide by plasma			Type	A1 Journal article
	Year	2014	Publication	Plasma processes and polymers	Abbreviated Journal	Plasma Process Polym
	Volume	11	Issue	10	Pages	985-992
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000344180900008	Publication Date	2014-08-18
	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	29	Open Access
	Notes				Approved	Most recent IF: 2.846; 2014 IF: 2.453
	Call Number	UA @ lucian @ c:irua:118302			Serial	1575
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	Author	García-Sánchez, C.; Philips, D.A.; Gorlé, C.
	Title	Quantifying inflow uncertainties for CFD simulations of the flow in downtown Oklahoma City			Type	A1 Journal article
	Year	2014	Publication	Building and environment	Abbreviated Journal	Build Environ
	Volume	78	Issue		Pages	118-129
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Computational Fluid Dynamics (CFD) methods are widely used to investigate wind flow and dispersion in urban environments. Validation with field experiments that represent the full complexity of the problem should be performed to assess the predictive capabilities of the computations. In this context it will be necessary to quantify the effect of uncertainties in simulations of the full-scale problem. The present study aims at quantifying the uncertainty related to the variability in the inflow boundary conditions for Reynolds-averaged Navier-Stokes (RANS) simulations of the flow in downtown Oklahoma City to address validation with the Joint Urban 2003 field measurements. Three uncertain inflow parameters were defined: the wind speed and wind direction at a reference height, and the aerodynamic roughness in the logarithmic velocity inlet profile. An ensemble of 729 RANS simulations were performed to determine the polynomial chaos expansion coefficients that define the response surfaces for the velocity magnitude and direction at 13 field measurement stations, and the results are compared to the experimental data. For the velocity magnitude the mean experimental velocity magnitude is encompassed within the 95% confidence interval for the magnitudes predicted by the Uncertainty Quantification study in all stations. For the velocity direction this holds in 11 out of 13 locations. The study demonstrates the significant potential of applying advanced uncertainty quantification methods to address validation with field measurements and to develop a more realistic approach to the definition of inflow boundary conditions in atmospheric CFD simulations. (C) 2014 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000338619700013	Publication Date	2014-05-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0360-1323;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.053	Times cited	29	Open Access
	Notes				Approved	Most recent IF: 4.053; 2014 IF: 3.341
	Call Number	UA @ lucian @ c:irua:118632			Serial	2742
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	Author	de Backer, A.; Martinez, G.T.; MacArthur, K.E.; Jones, L.; Béché, A.; Nellist, P.D.; Van Aert, S.
	Title	Dose limited reliability of quantitative annular dark field scanning transmission electron microscopy for nano-particle atom-counting			Type	A1 Journal article
	Year	2015	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	151	Issue	151	Pages	56-61
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Quantitative annular dark field scanning transmission electron microscopy (ADF STEM) has become a powerful technique to characterise nano-particles on an atomic scale. Because of their limited size and beam sensitivity, the atomic structure of such particles may become extremely challenging to determine. Therefore keeping the incoming electron dose to a minimum is important. However, this may reduce the reliability of quantitative ADF STEM which will here be demonstrated for nano-particle atom-counting. Based on experimental ADF STEM images of a real industrial catalyst, we discuss the limits for counting the number of atoms in a projected atomic column with single atom sensitivity. We diagnose these limits by combining a thorough statistical method and detailed image simulations.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000351237800008	Publication Date	2014-12-03
	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	29	Open Access
	Notes	312483 Esteem2; 278510 Vortex; Fwo G039311; G006410; G037413; esteem2ta; ECASJO;			Approved	Most recent IF: 2.843; 2015 IF: 2.436
	Call Number	c:irua:123927 c:irua:123927			Serial	753
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	Author	Van Gaens, W.; Iseni, S.; Schmidt-Bleker, A.; Weltmann, K.-D.; Reuter, S.; Bogaerts, A.
	Title	Numerical analysis of the effect of nitrogen and oxygen admixtures on the chemistry of an argon plasma jet operating at atmospheric pressure			Type	A1 Journal article
	Year	2015	Publication	New journal of physics	Abbreviated Journal	New J Phys
	Volume	17	Issue	17	Pages	033003
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	In this paper we study the cold atmospheric pressure plasma jet, called kinpen, operating in Ar with different admixture fractions up to 1% pure , and + . Moreover, the device is operating with a gas curtain of dry air. The absolute net production rates of the biologically active ozone () and nitrogen dioxide () species are measured in the far effluent by quantum cascade laser absorption spectroscopy in the mid-infrared. Additionally, a zero-dimensional semi-empirical reaction kinetics model is used to calculate the net production rates of these reactive molecules, which are compared to the experimental data. The latter model is applied throughout the entire plasma jet, starting already within the device itself. Very good qualitative and even quantitative agreement between the calculated and measured data is demonstrated. The numerical model thus yields very useful information about the chemical pathways of both the and the generation. It is shown that the production of these species can be manipulated by up to one order of magnitude by varying the amount of admixture or the admixture type, since this affects the electron kinetics significantly at these low concentration levels.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Bristol	Editor
	Language		Wos	000352898500003	Publication Date	2015-03-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1367-2630;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.786	Times cited	29	Open Access
	Notes				Approved	Most recent IF: 3.786; 2015 IF: 3.558
	Call Number	c:irua:124228			Serial	2391
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	Author	Aierken, Y.; Sahin, H.; Iyikanat, F.; Horzum, S.; Suslu, A.; Chen, B.; Senger, R.T.; Tongay, S.; Peeters, F.M.
	Title	Portlandite crystal : bulk, bilayer, and monolayer structures			Type	A1 Journal article
	Year	2015	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	91	Issue	91	Pages	245413
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Ca(OH)(2) crystals, well known as portlandite, are grown in layered form, and we found that they can be exfoliated on different substrates. We performed first principles calculations to investigate the structural, electronic, vibrational, and mechanical properties of bulk, bilayer, and monolayer structures of this material. Different from other lamellar structures such as graphite and transition-metal dichalcogenides, intralayer bonding in Ca(OH)(2) is mainly ionic, while the interlayer interaction remains a weak dispersion-type force. Unlike well-known transition-metal dichalcogenides that exhibit an indirect-to-direct band gap crossover when going from bulk to a single layer, Ca(OH)(2) is a direct band gap semiconductor independent of the number layers. The in-plane Young's modulus and the in-plane shear modulus of monolayer Ca(OH)(2) are predicted to be quite low while the in-plane Poisson ratio is larger in comparison to those in the monolayer of ionic crystal BN. We measured the Raman spectrum of bulk Ca(OH)(2) and identified the high-frequency OH stretching mode A(1g) at 3620 cm(-1). In this study, bilayer and monolayer portlandite [Ca(OH)(2)] are predicted to be stable and their characteristics are analyzed in detail. Our results can guide further research on ultrathin hydroxites.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000356135600007	Publication Date	2015-06-12
	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	29	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl) 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). H.S. is supported by a FWO Pegasus Long Marie Curie Fellowship. ;			Approved	Most recent IF: 3.836; 2015 IF: 3.736
	Call Number	c:irua:126983			Serial	2675
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	Author	Jelić, Ž.L.; Milošević, M.V.; Van de Vondel, J.; Silhanek, A.V.
	Title	Stroboscopic phenomena in superconductors with dynamic pinning landscape			Type	A1 Journal article
	Year	2015	Publication	Scientific reports	Abbreviated Journal	Sci Rep-Uk
	Volume	5	Issue	5	Pages	14604
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	Introducing artificial pinning centers is a well established strategy to trap quantum vortices and increase the maximal magnetic field and applied electric current that a superconductor can sustain without dissipation. In case of spatially periodic pinning, a clear enhancement of the superconducting critical current arises when commensurability between the vortex configurations and the pinning landscape occurs. With recent achievements in (ultrafast) optics and nanoengineered plasmonics it has become possible to exploit the interaction of light with superconductivity, and create not only spatially periodic imprints on the superconducting condensate, but also temporally periodic ones. Here we show that in the latter case, temporal matching phenomena develop, caused by stroboscopic commensurability between the characteristic frequency of the vortex motion under applied current and the frequency of the dynamic pinning. The matching resonances persist in a broad parameter space, including magnetic field, driving current, or material purity, giving rise to unusual features such as externally variable resistance/impedance and Shapiro steps in current-voltage characteristics. All features are tunable by the frequency of the dynamic pinning landscape. These findings open further exploration avenues for using flashing, spatially engineered, and/or mobile excitations on superconductors, permitting us to achieve advanced functionalities.
	Address	Departement de Physique, Universite de Liege, Allee du 6-Aout 17, B-4000 Liege, Belgium
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language	English	Wos	000362082500001	Publication Date	2015-10-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2045-2322	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.259	Times cited	29	Open Access
	Notes	Acknowledgements: This work was supported by the Methusalem Funding of the Flemish Government, the Research Foundation-Flanders (FWO) and the COST Action MP1201. The work of Ž.L.J. and A.V.S. was partially supported by “Mandat d’Impulsion Scientifique” of the F.R.S.-FNRS.			Approved	Most recent IF: 4.259; 2015 IF: 5.578
	Call Number	c:irua:129807 c:irua:129807			Serial	3980
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	Author	Zanaga, D.; Altantzis, T.; Polavarapu, L.; Liz-Marzán, L.M.; Freitag, B.; Bals, S.
	Title	A New Method for Quantitative XEDS Tomography of Complex Heteronanostructures			Type	A1 Journal article
	Year	2016	Publication	Particle and particle systems characterization	Abbreviated Journal	Part Part Syst Char
	Volume	33	Issue	33	Pages	396-403
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Reliable quantification of 3D results obtained by X-ray Energy Dispersive Spectroscopy (XEDS) tomography is currently hampered by the presence of shadowing effects and poor spatial resolution. Here, we present a method that overcomes these problems by synergistically combining quantified XEDS data and High Angle Annular Dark Field – Scanning Transmission Electron Microscopy (HAADF-STEM) tomography. As a proof of principle, the approach is applied to characterize a complex Au/Ag nanorattle obtained through a galvanic replacement reaction. However, the technique we propose here is widely applicable to a broad range of nanostructures.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000379970000008	Publication Date	2016-03-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0934-0866	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.474	Times cited	29	Open Access	OpenAccess
	Notes	The authors acknowledge financial support from European Research Council (ERC Starting Grant # 335078-COLOURATOMS, ERC Advanced Grant # 291667 HierarSACol and ERC Advanced Grant 267867 – PLASMAQUO), the European Union under the FP7 (Integrated Infrastructure Initiative N. 262348 European Soft Matter Infrastructure, ESMI and N. 312483 ESTEEM2).; esteem2jra4; ECASSara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot);			Approved	Most recent IF: 4.474
	Call Number	c:irua:132643 c:irua:132643			Serial	4052
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	Author	Horzum, S.; Torun, E.; Serin, T.; Peeters, F.M.
	Title	Structural, electronic and optical properties of Cu-doped ZnO : experimental and theoretical investigation			Type	A1 Journal article
	Year	2016	Publication	Philosophical magazine	Abbreviated Journal	Philos Mag
	Volume	96	Issue	96	Pages	1743-1756
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	Experiments are supplemented with ab initio density functional theory (DFT) calculations in order to investigate how the structural, electronic and optical properties of zinc oxide (ZnO) thin films are modified upon Cu doping. Changes in characteristic properties of doped thin films, that are deposited on a glass substrate by sol-gel dip coating technique, are monitored using X-ray diffraction (XRD) and UV measurements. Our ab initio calculations show that the electronic structure of ZnO can be well described by DFT+U/G(0)W(0) method and we find that Cu atom substitutional doping in ZnO is the most favourable case. Our XRD measurements reveal that the crystallite size of the films decrease with increasing Cu doping. Moreover, we determine the optical constants such as refractive index, extinction coefficient, optical dielectric function and optical energy band gap values of the films by means of UV-Vis transmittance spectra. The optical band gap of ZnO the thin film linearly decreases from 3.25 to 3.20 eV at 5% doping. In addition, our calculations reveal that the electronic defect states that stem from Cu atoms are not optically active and the optical band gap is determined by the ZnO band edges. Experimentally observed structural and optical results are in good agreement with our theoretical results.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000376076500002	Publication Date	2016-05-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1478-6435	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.505	Times cited	29	Open Access
	Notes	; Theoretical part of this work was supported by the Flemish Science Foundation (FWO-Vl) 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), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. Experimental part of this work was supported by Ankara University BAP under Project Number [14B0443001]. ;			Approved	Most recent IF: 1.505
	Call Number	UA @ lucian @ c:irua:134161			Serial	4254
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	Author	Grujić, M.M.; Ezawa, M.; Tadic, M.Z.; Peeters, F.M.
	Title	Tunable skewed edges in puckered structures			Type	A1 Journal article
	Year	2016	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	93	Issue	93	Pages	245413
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We propose a type of edges arising due to the anisotropy inherent in the puckered structure of a honeycomb system such as in phosphorene. Skewed-zigzag and skewed-armchair nanoribbons are semiconducting and metallic, respectively, in contrast to their normal edge counterparts. Their band structures are tunable, and a metal-insulator transition is induced by an electric field. We predict a field-effect transistor based on the edge states in skewed-armchair nanoribbons, where the edge state is gapped by applying arbitrary small electric field E-z. A topological argument is presented, revealing the condition for the emergence of such edge states.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000377802700010	Publication Date	2016-06-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9950;2469-9969;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	29	Open Access
	Notes	; This work was supported by the Serbian Ministry of Education, Science and Technological Development, and the Flemish Science Foundation (FWO-Vl). M.E. is thankful for the support by the Grants-in-Aid for Scientific Research from MEXT KAKENHI (Grants No. 25400317 and No. 15H05854). ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:134599			Serial	4268
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	Author	Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D.
	Title	First-principles study of the optoelectronic properties and photovoltaic absorber layer efficiency of Cu-based chalcogenides			Type	A1 Journal article
	Year	2016	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	120	Issue	120	Pages	085707
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	Cu-based chalcogenides are promising materials for thin-film solar cells with more than 20% measured cell efficiency. Using first-principles calculations based on density functional theory, the optoelectronic properties of a group of Cu-based chalcogenides Cu2-II-IV-VI4 is studied. They are then screened with the aim of identifying potential absorber materials for photovoltaic applications. The spectroscopic limited maximum efficiency (SLME) introduced by Yu and Zunger [Phys. Rev. Lett. 108, 068701 (2012)] is used as a metric for the screening. After constructing the currentvoltage curve, the SLME is calculated from the maximum power output. The role of the nature of the band gap, direct or indirect, and also of the absorptivity of the studied materials on the maximum theoretical power conversion efficiency is studied. Our results show that Cu2II-GeSe4 with II¼ Cd and Hg, and Cu2-II-SnS4 with II ¼ Cd, Hg, and Zn have a higher theoretical efficiency compared with the materials currently used as absorber layer.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000383913400074	Publication Date	2016-08-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	29	Open Access
	Notes	We acknowledge the financial support from the FWO-Vlaanderen through project G.0150.13N and a GOA fund from the University of Antwerp. 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), bothfunded by the FWO-Vlaanderen and the Flemish Government–department EWI.			Approved	Most recent IF: 2.068
	Call Number	c:irua:135089			Serial	4113
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	Author	Michel, K.H.; Çakir, D.; Sevik, C.; Peeters, F.M.
	Title	Piezoelectricity in two-dimensional materials : comparative study between lattice dynamics and ab initio calculations			Type	A1 Journal article
	Year	2017	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	95	Issue	95	Pages	125415
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The elastic constant C-11 and piezoelectric stress constant e(1),(11) of two-dimensional (2D) dielectric materials comprising h-BN, 2H-MoS2, and other transition-metal dichalcogenides and dioxides are calculated using lattice dynamical theory. The results are compared with corresponding quantities obtained with ab initio calculations. We identify the difference between clamped-ion and relaxed-ion contributions with the dependence on inner strains which are due to the relative displacements of the ions in the unit cell. Lattice dynamics allows us to express the inner-strain contributions in terms of microscopic quantities such as effective ionic charges and optoacoustical couplings, which allows us to clarify differences in the piezoelectric behavior between h-BN and MoS2. Trends in the different microscopic quantities as functions of atomic composition are discussed.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000396013400005	Publication Date	2017-03-11
	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	3.836	Times cited	29	Open Access
	Notes	; The authors acknowledge useful discussions with L. Wirtz and A. Molina-Sanchez. This work was supported by the Methusalem program and the Fonds voor Wetenschappelijk Onderzoek-Vlaanderen. Computational resources were provided by HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:142444			Serial	4603
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	Author	Cavalcante, L.S.; Chaves, A.; da Costa, D.R.; Farias, G.A.; Peeters, F.M.
	Title	All-strain based valley filter in graphene nanoribbons using snake states			Type	A1 Journal article
	Year	2016	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	94	Issue	7	Pages	075432
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A pseudomagnetic field kink can be realized along a graphene nanoribbon using strain engineering. Electron transport along this kink is governed by snake states that are characterized by a single propagation direction. Those pseudomagnetic fields point towards opposite directions in the K and K' valleys, leading to valley polarized snake states. In a graphene nanoribbon with armchair edges this effect results in a valley filter that is based only on strain engineering. We discuss how to maximize this valley filtering by adjusting the parameters that define the stress distribution along the graphene ribbon.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000381889300002	Publication Date	2016-08-23
	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	3.836	Times cited	29	Open Access
	Notes	; Discussions with R. Grassi are gratefully acknowledged. This work was supported by the Brazilian Council for Research (CNPq), under the PRONEX/FUNCAP and Science Without Borders (SWB) programs, CAPES, the Lemann Foundation, and the Flemish Science Foundation (FWO-Vl). ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:144667			Serial	4639
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	Author	González-Rubio, G.; de Oliveira, T.M.; Altantzis, T.; La Porta, A.; Guerrero-Martínez, A.; Bals, S.; Scarabelli, L.; Liz-Marzán, L.M.
	Title	Disentangling the effect of seed size and crystal habit on gold nanoparticle seeded growth			Type	A1 Journal article
	Year	2017	Publication	Chemical communications	Abbreviated Journal	Chem Commun
	Volume	53	Issue	53	Pages	11360-11363
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Oxidative etching was used to produce gold seeds of different sizes and crystal habits. Following detailed characterization, the seeds were grown under different conditions. Our results bring new insights toward understanding the effect of size and crystallinity on the growth of anisotropic particles, whilst identifying guidelines for the optimisation of new synthetic protocols of predesigned seeds.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000412814900019	Publication Date	2017-09-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-7345	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.319	Times cited	29	Open Access	OpenAccess
	Notes	This work was funded by the Spanish MINECO (grant # MAT2013-46101-R, Ramon y Cajal fellowship to A. G.-M. and FPI fellowship to G. G.-R.). Financial support is acknowledged from the European Commission (EUSMI, 731019). S. B. acknowledges financial support from the European Research Council (ERC Starting Grant # 335078-COLOURATOMS). T. A. acknowledges a postdoctoral grant from Research Foundation Flanders (FWO, Belgium). ECAS_Sara (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot);			Approved	Most recent IF: 6.319
	Call Number	EMAT @ emat @c:irua:146101UA @ admin @ c:irua:146101			Serial	4734
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	Author	Asapu, R.; Ciocarlan, R.-G.; Claes, N.; Blommaerts, N.; Minjauw, M.; Ahmad, T.; Dendooven, J.; Cool, P.; Bals, S.; Denys, S.; Detavernier, C.; Lenaerts, S.; Verbruggen, S.W.
	Title	Plasmonic Near-Field Localization of Silver Core–Shell Nanoparticle Assemblies via Wet Chemistry Nanogap Engineering			Type	A1 Journal article
	Year	2017	Publication	ACS applied materials and interfaces	Abbreviated Journal	Acs Appl Mater Inter
	Volume	9	Issue	9	Pages	41577-41585
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Silver nanoparticles are widely used in the field of plasmonics because of their unique optical properties. The wavelength-dependent surface plasmon resonance gives rise to a strongly enhanced electromagnetic field, especially at so-called hot spots located in the nanogap in-between metal nanoparticle assemblies. Therefore, the interparticle distance is a decisive factor in plasmonic applications, such as surface-enhanced Raman spectroscopy (SERS). In this study, the aim is to engineer this interparticle distance for silver nanospheres using a convenient wet-chemical approach and to predict and quantify the corresponding enhancement factor using both theoretical and experimental tools. This was done by building a tunable ultrathin polymer shell around the nanoparticles using the layer-by-layer method, in which the polymer shell acts as the separating interparticle spacer layer. Comparison of different theoretical approaches and corroborating the results with SERS analytical experiments using silver and silver−polymer core−shell nanoparticle clusters as SERS substrates was also done. Herewith, an approach is provided to estimate the extent of plasmonic near-field enhancement both theoretically as well as experimentally.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000417005900057	Publication Date	2017-11-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1944-8244	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.504	Times cited	29	Open Access	OpenAccess
	Notes	financial support through a research fellowship. C.D. wishes to thank the Hercules foundation for the financial support (SPINAL). P.C. and R.-G.C. acknowledge financial support by FWO Vlaanderen (project no. G038215N). N.C. and S.B. acknowledge the financial support from the European Research Council (ERC starting grant #335078-COLOURATOM). (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); saraecas; ECAS_Sara;			Approved	Most recent IF: 7.504
	Call Number	EMAT @ emat @c:irua:147243			Serial	4804
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