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	Author	Felgen, N.; Naydenov, B.; Turner, S.; Jelezko, F.; Reithmaier, J.P.; Popov, C.
	Title	Incorporation and study of SiV centers in diamond nanopillars			Type	A1 Journal article
	Year	2016	Publication	Diamond and related materials	Abbreviated Journal	Diam Relat Mater
	Volume	64	Issue	64	Pages	64-69
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We report on the incorporation of SiV centers during hot filament chemical vapor deposition of diamond on top of diamond nanopillars with diameters down to 100 nm. The nanopillars themselves were prepared from nano crystalline diamond films by applying electron beam lithography and inductively coupled plasma reactive ion etching. The optical investigations revealed the presence of ensembles of SiV color centers incorporated during the overgrowth step. (C) 2016 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000374608100009	Publication Date	2016-01-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0925-9635	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.561	Times cited	14	Open Access
	Notes				Approved	Most recent IF: 2.561
	Call Number	UA @ lucian @ c:irua:133623			Serial	4193
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	Author	Heyne, M.H.; Chiappe, D.; Meersschaut, J.; Nuytten, T.; Conard, T.; Bender, H.; Huyghebaert, C.; Radu, I.P.; Caymax, M.; de Marneffe, J.F.; Neyts, E.C.; De Gendt, S.;
	Title	Multilayer MoS₂ growth by metal and metal oxide sulfurization			Type	A1 Journal article
	Year	2016	Publication	Journal of materials chemistry C : materials for optical and electronic devices	Abbreviated Journal	J Mater Chem C
	Volume	4	Issue	4	Pages	1295-1304
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	We investigated the deposition of MoS2 multilayers on large area substrates. The pre-deposition of metal or metal oxide with subsequent sulfurization is a promising technique to achieve layered films. We distinguish a different reaction behavior in metal oxide and metallic films and investigate the effect of the temperature, the H2S/H-2 gas mixture composition, and the role of the underlying substrate on the material quality. The results of the experiments suggest a MoS2 growth mechanism consisting of two subsequent process steps. At first, the reaction of the sulfur precursor with the metal or metal oxide occurs, requiring higher temperatures in the case of metallic film compared to metal oxide. At this stage, the basal planes assemble towards the diffusion direction of the reaction educts and products. After the sulfurization reaction, the material recrystallizes and the basal planes rearrange parallel to the substrate to minimize the surface energy. Therefore, substrates with low roughness show basal plane assembly parallel to the substrate. These results indicate that the substrate character has a significant impact on the assembly of low dimensional MoS2 films.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000370723300020	Publication Date	2016-01-05
	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		Open Access
	Notes				Approved	Most recent IF: 5.256
	Call Number	UA @ lucian @ c:irua:132327			Serial	4211
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	Author	Sevik, C.; Çakir, D.; Gulseren, O.; Peeters, F.M.
	Title	Peculiar piezoelectric properties of soft two-dimensional materials			Type	A1 Journal article
	Year	2016	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	120	Issue	120	Pages	13948-13953
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	Group II-VI semiconductor honeycomb monolayers have a noncentrosymmetric crystal structure and therefore are expected to be important for nano piezoelectric device applications. This motivated us to perform first principles calculations based on density functional theory to unveil the piezoelectric properties (i.e., piezoelectric stress (e(11)) and piezoelectric strain (d(11)) coefficients) of these monolayer materials with chemical formula MX (where M = Be, Mg, Ca, Sr, Ba, Zr, Cd and X = S, Se, Te). We found that these two-dimensional materials have peculiar piezoelectric properties with d(11) coefficients 1 order of magnitude larger than those of commercially utilized bulk materials. A clear trend in their piezoelectric properties emerges, which
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000379457000010	Publication Date	2016-06-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-7447; 1932-7455	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.536	Times cited	39	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl), the Methusalem foundation of the Flemish government and the Bilateral program FWO-TUBITAK between Flanders and Turkey. We acknowledge the support from the Scientific and Technological Research Council of Turkey (TUBITAK-115F024). 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 (Cal-cUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. C.S. acknowledges the support from the Scientific and Technological Research Council of Turkey (TUBITAK-113F333) and the support from Anadolu University (BAP-1407F335, -1505F200), and the Turkish Academy of Sciences (TUBA-GEBIP). ;			Approved	Most recent IF: 4.536
	Call Number	UA @ lucian @ c:irua:134948			Serial	4222
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	Author	Huybrechts, W.; Mali, G.; Kuśtrowski, P.; Willhammar, T.; Mertens, M.; Bals, S.; Van Der Voort, P.; Cool, P.
	Title	Post-synthesis bromination of benzene bridged PMO as a way to create a high potential hybrid material			Type	A1 Journal article
	Year	2016	Publication	Microporous and mesoporous materials: zeolites, clays, carbons and related materials	Abbreviated Journal	Micropor Mesopor Mat
	Volume	236	Issue	236	Pages	244-249
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
	Abstract	Periodic mesoporous organosilicas provide the best of two worlds: the strength and porosity of an inorganic framework combined with the infinite possibilities created by the organic bridging unit. In this work we focus on post-synthetical modification of benzene bridged PMO, in order to create bromobenzene PMO. In the past, this proved to be very challenging due to unwanted structural deterioration. However, now we have found a way to brominate this material whilst keeping the structure intact. In-depth structural analysis by solid state NMR and XPS shows both vast progress over previous attempts as well as potential for improvement.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000385899600028	Publication Date	2016-09-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1387-1811	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.615	Times cited	7	Open Access	OpenAccess
	Notes	; The authors would like to thank financial support from the FWO-Flanders (project no G.0068.13). The authors further acknowledge financial support of the University of Antwerp through BOF GOA funding. S.B. acknowledges financial support from European Research Council (ERC Starting Grant #335078-COLOURATOM). ; ecas_Sara			Approved	Most recent IF: 3.615
	Call Number	UA @ lucian @ c:irua:135274			Serial	4228
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	Author	Tahir, M.; Vasilopoulos, P.; Peeters, F.M.
	Title	Quantum magnetotransport properties of a MoS₂ monolayer			Type	A1 Journal article
	Year	2016	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	93	Issue	93	Pages	035406
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We study transport properties of a MoS2 monolayer in the presence of a perpendicular magnetic field B. We derive and discuss its band structure and take into account spin and valley Zeeman effects. Compared to a conventional two-dimensional electron gas, these effects lead to new quantum Hall plateaus and new peaks in the longitudinal resistivity as functions of the magnetic field. The field B leads to a significant enhancement of the spin splitting in the conduction band, to a beating of the Shubnikov-de Haas (SdH) oscillations in the low-field regime, and to their splitting in the high-field regime. The Zeeman fields suppress significantly the beating of the SdH oscillations in the low-field regime and strongly enhance their splitting at high fields. The spin and valley polarizations show a similar beating pattern at low fields and are clearly separated at high fields in which they attain a value higher than 90%.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000367663500003	Publication Date	2016-01-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121; 1550-235x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	42	Open Access
	Notes	; This work was supported by the Canadian NSERC Grant No. OGP0121756 (M.T., P.V.) and by the Flemish Science Foundation (FWO-Vl) (F.M.P.). ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:131093			Serial	4233
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	Author	Voss, A.; Wei, H.Y.; Zhang, Y.; Turner, S.; Ceccone, G.; Reithmaier, J.P.; Stengl, M.; Popov, C.
	Title	Strong attachment of circadian pacemaker neurons on modified ultrananocrystalline diamond surfaces			Type	A1 Journal article
	Year	2016	Publication	Materials science and engineering: part C: biomimetic materials	Abbreviated Journal	Mat Sci Eng C-Mater
	Volume	64	Issue	64	Pages	278-285
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Diamond is a promising material for a number of bio-applications, including the fabrication of platforms for attachment and investigation of neurons and of neuroprostheses, such as retinal implants. In the current work ultrananocrystalline diamond (UNCD) films were deposited by microwave plasma chemical vapor deposition, modified by UV/O-3 treatment or NH3 plasma, and comprehensively characterized with respect to their bulk and surface properties, such as crystallinity, topography, composition and chemical bonding nature. The interactions of insect circadian pacemaker neurons with UNCD surfaces with H-, O- and NH2-terminations were investigated with respect to cell density and viability. The fast and strong attachment achieved without application of adhesion proteins allowed for advantageous modification of dispersion protocols for the preparation of primary cell cultures. Centrifugation steps, which are employed for pelletizing dispersed cells to separate them from dispersing enzymes, easily damage neurons. Now centrifugation can be avoided since dispersed neurons quickly and strongly attach to the UNCD surfaces. Enzyme solutions can be easily washed off without losing many of the dispersed cells. No adverse effects on the cell viability and physiological responses were observed as revealed by calcium imaging. Furthermore, the enhanced attachment of the neurons, especially on the modified UNCD surfaces, was especially advantageous for the immunocytochemical procedures with the cell cultures. The cell losses during washing steps were significantly reduced by one order of magnitude in comparison to controls. In addition, the integration of a titanium grid structure under the UNCD films allowed for individual assignment of physiologically characterized neurons to immunocytochemically stained cells. Thus, employing UNCD surfaces free of foreign proteins improves cell culture protocols and immunocytochemistry with cultured cells. The fast and strong attachment of neurons was attributed to a favorable combination of topography, surface chemistry and wettability. (C) 2016 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lausanne	Editor
	Language		Wos	000376547700033	Publication Date	2016-03-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0928-4931	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.164	Times cited	7	Open Access
	Notes				Approved	Most recent IF: 4.164
	Call Number	UA @ lucian @ c:irua:134164			Serial	4251
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	Author	Cabral, L.R.E.; de Aquino, B.R.C.H.T.; de Souza Silva, C.C.; Milošević, M.V.; Peeters, F.M.
	Title	Two-shell vortex and antivortex dynamics in a Corbino superconducting disk			Type	A1 Journal article
	Year	2016	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	93	Issue	93	Pages	014515
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We examine theoretically the dynamics of two vortex shells in pinning-free superconducting thin disks in the Corbino geometry. In the first considered case, the inner shell is composed of vortices and the outer one of antivortices, corresponding to a state induced by the stray field of an off-plane magnetic dipole placed on top of the superconductor. In the second considered case, both shells comprise vortices induced by a homogeneous external field. We derive the equation of motion for each shell within the Bardeen-Stephen model and study the dynamics analytically by assuming both shells are rigid and commensurate. In both cases, two distinct regimes for vortex shell motion are identified: For low applied currents the entire configuration rotates rigidly, while above a threshold current the shells decouple from each other and rotate at different angular velocities. Analytical expressions for the decoupling current, the recombination time in the decoupled phases, as well as the voltage-current characteristics are presented. Our analytical results are in excellent agreement with numerical molecular dynamics simulations of the full many-vortex problem.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000368481600003	Publication Date	2016-01-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121; 1550-235x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	7	Open Access
	Notes	; This work was supported by the Brazilian Science Agencies CAPES, CNPq, and FACEPE under Grants No. APQ-1381-1.05/12, No. APQ 2017-1.05/12, and No. APQ-0598/1.05-08 and by EU-COST Action No. MP1201 and the Research Foundation-Flanders (FWO). ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:131541			Serial	4270
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	Author	van der Stam, W.; Gradmann, S.; Altantzis, T.; Ke, X.; Baldus, M.; Bals, S.; de Mello Donega, C.
	Title	Shape Control of Colloidal Cu2-x S Polyhedral Nanocrystals by Tuning the Nucleation Rates			Type	A1 Journal article
	Year	2016	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	28	Issue	28	Pages	6705-6715
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Synthesis protocols for colloidal nanocrystals (NCs) with narrow size and shape distributions are of particular interest for the successful implementation of these nanocrystals into devices. Moreover, the preparation of NCs with well-defined crystal phases is of key importance. In this work, we show that Sn(IV)-thiolate complexes formed in situ strongly influence the nucleation and growth rates of colloidal Cu2-x S polyhedral NCs, thereby dictating their final size, shape, and crystal structure. This allowed us to successfully synthesize hexagonal bifrustums and hexagonal bipyramid NCs with low-chalcocite crystal structure, and hexagonal nanoplatelets with various thicknesses and aspect ratios with the djurleite crystal structure, by solely varying the concentration of Sn(IV)-additives (namely, SnBr4) in the reaction medium. Solution and solid-state 119Sn NMR measurements show that SnBr4 is converted in situ to Sn(IV)-thiolate complexes, which increase the Cu2-x S nucleation barrier without affecting the precursor conversion rates. This influences both the nucleation and growth rates in a concentration-dependent fashion and leads to a better separation between nucleation and growth. Our approach of tuning the nucleation and growth rates with in situ-generated Sn-thiolate complexes might have a more general impact due to the availability of various metal-thiolate complexes, possibly resulting in polyhedral NCs of a wide variety of metal-sulfide compositions.
	Address	Condensed Matter and Interfaces, Debye Institute for Nanomaterials Science, Utrecht University , P.O. Box 80000, 3508 TA Utrecht, The Netherlands
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language	English	Wos	000384399000037	Publication Date	2016-09-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0897-4756	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.466	Times cited	27	Open Access	OpenAccess
	Notes	W.v.d.S. and C.d.M.D. acknowledge financial support from the division of Chemical Sciences (CW) of The Netherlands Organization for Scientific Research (NWO) under grant number ECHO.712.012.001. M.B. also gratefully acknowledges NWO for funding the NMR infrastructure (Middle Groot program, grant number 700.58.102). S.B. acknowledges financial support from the European Research Council (ERC Starting Grant # 335078-COLOURATOMS).; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot);			Approved	Most recent IF: 9.466
	Call Number	EMAT @ emat @ c:irua:135928			Serial	4285
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	Author	Perez, A.J.; Batuk, D.; Saubanère, M.; Rousse, G.; Foix, D.; Mc Calla, E.; J. Berg, E.; Dugas, R.; van den Bos, K. H. W.; Doublet, M.-L.; Gonbeau, D.; Abakumov, A.M.; Van Tendeloo, G.; Tarascon, J.-M.
	Title	Strong oxygen participation in the redox governing the structural and electrochemical properties of Na-rich layered oxide Na₂IrO₃			Type	A1 Journal article
	Year	2016	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	28	Issue	28	Pages	8278-8288
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The recent revival of the Na-ion battery concept has prompted intense activities in the search for new Na-based layered oxide positive electrodes. The largest capacity to date was obtained for a Na-deficient layered oxide that relies on cationic redox processes only. To go beyond this limit, we decided to chemically manipulate these Na-based layered compounds in a way to trigger the participation of the anionic network. We herein report the electrochemical properties of a Na-rich phase Na2IrO3, which can reversibly cycle 1.5 Na+ per formula unit while not suffering from oxygen release nor cationic migrations. Such large capacities, as deduced by complementary XPS, X-ray/neutron diffraction and transmission electron microscopy measurements, arise from cumulative cationic and anionic redox processes occurring simultaneously at potentials as low as 3.0 V. The inability to remove more than 1.5 Na+ is rooted in the formation of an O1-type phase having highly stabilized Na sites as confirmed by DFT calculations, which could rationalize as well the competing metal/oxygen redox processes in Na2IrO3. This work will help to define the most fertile directions in the search for novel high energy Na-rich materials based on more sustainable elements than Ir.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000388914500021	Publication Date	2016-10-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0897-4756	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.466	Times cited	45	Open Access
	Notes	The authors thank Montse Casas-Cabanas and Marine Reynaud for discussions about the FAULTS program, Sandra Van Aert for her great help in guiding us towards the use of the statistical parameter estimation method for establishing the O-O histogram, and Thomas Hansen and Vladimir Pomjakushin for their precious help in neutron diffraction experiments. This work is based on experiments performed at the Swiss spallation neutron source SINQ, Paul Scherrer Institute, Villigen, Switzerland, and at Institut Laue Langevin, Grenoble, France. Use of the 11-BM mail service of the APS at Argonne National Laboratory was supported by the U.S. department of Energy under contract No. DE-AC02-06CH11357 and is greatly acknowledged.			Approved	Most recent IF: 9.466
	Call Number	EMAT @ emat @ c:irua:135994			Serial	4287
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	Author	Geuchies, J.J.; van Overbeek, C.; Evers, W.H.; Goris, B.; de Backer, A.; Gantapara, A.P.; Rabouw, F.T.; Hilhorst, J.; Peters, J.L.; Konovalov, O.; Petukhov, A.V.; Dijkstra, M.; Siebbeles, L.D.A.; van Aert, S.; Bals, S.; Vanmaekelbergh, D.
	Title	In situ study of the formation mechanism of two-dimensional superlattices from PbSe nanocrystals			Type	A1 Journal article
	Year	2016	Publication	Nature materials	Abbreviated Journal	Nat Mater
	Volume	15	Issue	15	Pages	1248-1254
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Oriented attachment of PbSe nanocubes can result in the formation of two-dimensional (2D) superstructures with long-range nanoscale and atomic order. This questions the applicability of classic models in which the superlattice grows by first forming a nucleus, followed by sequential irreversible attachment of nanocrystals, as one misaligned attachment would disrupt the 2D order beyond repair. Here, we demonstrate the formation mechanism of 2D PbSe superstructures with square geometry by using in situ grazing-incidence X-ray scattering (small angle and wide angle), ex situ electron microscopy, and Monte Carlo simulations. We observed nanocrystal adsorption at the liquid/gas interface, followed by the formation of a hexagonal nanocrystal monolayer. The hexagonal geometry transforms gradually through a pseudo-hexagonal phase into a phase with square order, driven by attractive interactions between the {100} planes perpendicular to the liquid substrate, which maximize facet-to-facet overlap. The nanocrystals then attach atomically via a necking process, resulting in 2D square superlattices.
	Address	Condensed Matter and Interfaces, Debye Institute for Nanomaterials Science, Utrecht University, 3584 CC Utrecht, The Netherlands
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language	English	Wos	000389104400011	Publication Date	2016-09-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1476-1122	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	39.737	Times cited	182	Open Access	OpenAccess
	Notes	This research is part of the programme ‘Designing Dirac Carriers in semiconductor honeycomb superlattices (DDC13),’ which is supported by the Foundation for Fundamental Research on Matter (FOM), which is part of the Dutch Research Council (NWO). J.J.G. acknowledges funding from the Debye and ESRF Graduate Programs. The authors gratefully acknowledge funding from the Research Foundation Flanders (G.036915 G.037413 and funding of postdoctoral grants to B.G. and A.d.B). S.B. acknowledges the European Research Council, ERC grant No 335078—Colouratom. The authors gratefully acknowledge I. Swart and M. van Huis for fruitful discussions. We acknowledge funding from NWO-CW TOPPUNT ‘Superficial Superstructures’. The X-ray scattering measurements were performed at the ID10 beamline at ESRF under proposal numbers SC-4125 and SC-3786. The authors thank G. L. Destri and F. Zontone for their support during the experiments.; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot);			Approved	Most recent IF: 39.737
	Call Number	EMAT @ emat @ c:irua:136165			Serial	4289
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	Author	Huygh, S.; Bogaerts, A.; Neyts, E.C.
	Title	How Oxygen Vacancies Activate CO₂ Dissociation on TiO₂ Anatase (001)			Type	A1 Journal article
	Year	2016	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	120	Issue	120	Pages	21659-21669
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The adsorption, dissociation, and diffusion of CO2 on the anatase (001) surface was studied using DFT by means of the generalized gradient approximation using the Perdew−Burcke−Ernzerhof (PBE)-functional and applying corrections for long-range dispersion interactions. Different stable adsorption configurations were identified for the fully oxidized surface. The most stable adsorption configuration is the monodentated carbonate-like structure. Small energy barriers were identified for the conversion of a physisorbed to a chemisorbed configuration. CO2 dissociation is found to be unfeasible on the stoichiometric surface. The introduction of oxygen vacancy defects gives rise to new highly stable adsorption configurations with a stronger activation of the C−O bonds. This leads to the possibility of exothermic dissociation of CO2 with barriers up to 22.2 kcal/mol, corresponding to chemical lifetimes of less than 4 s at 300 K. These reactions cause a CO molecule to be formed, which will easily desorb, and the reduced surface to become oxidized. It is clear that oxygen vacancy defects play a key role in the catalytic activity of an anatase (001) surface. Oxygen vacancies play an important role in the dissociation of CO2 on the anatase (001) surface, and will play a significant role in complex problems, such as the catalytic conversion of CO2 to value-added chemicals.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000384626800055	Publication Date	2016-09-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-7447	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.536	Times cited	49	Open Access
	Notes	Stijn Huygh is funded as an aspirant of the Research Foundation Flanders (FWO, project number 11C0115N). This work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the UAntwerpen.			Approved	Most recent IF: 4.536
	Call Number	PLASMANT @ plasmant @ c:irua:136164			Serial	4291
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	Author	Callini, E.; Aguey-Zinsou, K.F.; Ahuja, R.; Ares, J.R.; Bals, S.; Biliškov, N.; Chakraborty, S.; Charalambopoulou, G.; Chaudhary, A.L.; Cuevas, F.; Dam, B.; de Jongh, P.; Dornheim, M.; Filinchuk, Y.; Grbović Novaković, J.; Hirscher, M.; Jensen, T.R.; Jensen, P.B.; Novaković, N.; Lai, Q.; Leardini, F.; Gattia, D.M.; Pasquini, L.; Steriotis, T.; Turner, S.; Vegge, T.; Züttel, A.; Montone, A.
	Title	Nanostructured materials for solid-state hydrogen storage : a review of the achievement of COST Action MP1103			Type	A1 Journal article
	Year	2016	Publication	International journal of hydrogen energy T2 – E-MRS Fall Meeting / Symposium C on Hydrogen Storage in Solids -, Materials, Systems and Aplication Trends, SEP 15-18, 2015, Warsaw, POLAND	Abbreviated Journal	Int J Hydrogen Energ
	Volume	41	Issue	41	Pages	14404-14428
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	In the framework of the European Cooperation in Science and Technology (COST) Action MP1103 Nanostructured Materials for Solid-State Hydrogen Storage were synthesized, characterized and modeled. This Action dealt with the state of the art of energy storage and set up a competitive and coordinated network capable to define new and unexplored ways for Solid State Hydrogen Storage by innovative and interdisciplinary research within the European Research Area. An important number of new compounds have been synthesized: metal hydrides, complex hydrides, metal halide ammines and amidoboranes. Tuning the structure from bulk to thin film, nanoparticles and nanoconfined composites improved the hydrogen sorption properties and opened the perspective to new technological applications. Direct imaging of the hydrogenation reactions and in situ measurements under operando conditions have been carried out in these studies. Computational screening methods allowed the prediction of suitable compounds for hydrogen storage and the modeling of the hydrogen sorption reactions on mono-, bi-, and three-dimensional systems. This manuscript presents a review of the main achievements of this Action. (C) 2016 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher	Pergamon-elsevier science ltd	Place of Publication	Oxford	Editor
	Language		Wos	000381950800051	Publication Date	2016-05-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0360-3199	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.582	Times cited	89	Open Access	Not_Open_Access
	Notes	All the authors greatly thank the COST Action MP1103 for financial support.			Approved	Most recent IF: 3.582
	Call Number	UA @ lucian @ c:irua:135723			Serial	4307
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	Author	Zhang, F.; Inokoshi, M.; Batuk, M.; Hadermann, J.; Naert, I.; Van Meerbeek, B.; Vleugels, J.
	Title	Strength, toughness and aging stability of highly-translucent Y-TZP ceramics for dental restorations			Type	A1 Journal article
	Year	2016	Publication	Dental Materials	Abbreviated Journal	Dent Mater
	Volume	32	Issue	32	Pages	e327-e337
	Keywords	A1 Journal article; Electron Microscopy for Materials Science (EMAT);
	Abstract	OBJECTIVE: The aim was to evaluate the optical properties, mechanical properties and aging stability of yttria-stabilized zirconia with different compositions, highlighting the influence of the alumina addition, Y2O3 content and La2O3 doping on the translucency. METHODS: Five different Y-TZP zirconia powders (3 commercially available and 2 experimentally modified) were sintered under the same conditions and characterized by X-ray diffraction with Rietveld analysis and scanning electron microscopy (SEM). Translucency (n=6/group) was measured with a color meter, allowing to calculate the translucency parameter (TP) and the contrast ratio (CR). Mechanical properties were appraised with four-point bending strength (n=10), single edge V-notched beam (SEVNB) fracture toughness (n=8) and Vickers hardness (n=10). The aging stability was evaluated by measuring the tetragonal to monoclinic transformation (n=3) after accelerated hydrothermal aging in steam at 134 degrees C, and the transformation curves were fitted by the Mehl-Avrami-Johnson (MAJ) equation. Data were analyzed by one-way ANOVA, followed by Tukey's HSD test (alpha=0.05). RESULTS: Lowering the alumina content below 0.25wt.% avoided the formation of alumina particles and therefore increased the translucency of 3Y-TZP ceramics, but the hydrothermal aging stability was reduced. A higher yttria content (5mol%) introduced about 50% cubic zirconia phase and gave rise to the most translucent and aging-resistant Y-TZP ceramics, but the fracture toughness and strength were considerably sacrificed. 0.2mol% La2O3 doping of 3Y-TZP tailored the grain boundary chemistry and significantly improved the aging resistance and translucency. Although the translucency improvement by La2O3 doping was less effective than for introducing a substantial amount of cubic zirconia, this strategy was able to maintain the mechanical properties of typical 3Y-TZP ceramics. SIGNIFICANCE: Three different approaches were compared to improve the translucency of 3Y-TZP ceramics.
	Address	KU Leuven, Department of Materials Engineering, Kasteelpark Arenberg 44, Belgium
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language	English	Wos	000389516400003	Publication Date	2016-10-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0109-5641	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.07	Times cited		Open Access
	Notes	The authors acknowledge the Research Fund of KU Leu- ven under project 0T/10/052 and the Fund for Scientific Research Flanders (FWO-Vlaanderen) under grant G.0431.10N. F. Zhang thanks the Research Fund of KU Leuven for her post- doctoral fellowship (PDM/15/153). We thank M. Peumans for the translucency measurements.			Approved	Most recent IF: 4.07
	Call Number	EMAT @ emat @ c:irua:136821			Serial	4313
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	Author	Conings, B.; Babayigit, A.; Klug, M. T.; Bai, S.; Gauquelin, N.; Sakai, N.; Wang, J. T.-W.; Verbeeck, J.; Boyen, H.-G.
	Title	A Universal Deposition Protocol for Planar Heterojunction Solar Cells with High Efficiency Based on Hybrid Lead Halide Perovskite Families			Type	A1 Journal article
	Year	2016	Publication	Advanced materials	Abbreviated Journal	Adv Mater
	Volume	28	Issue	28	Pages	10701-10709
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	A robust and expedient gas quenching method is developed for the solution deposition of hybrid perovskite thin films. The method offers a reliable standard practice for the fabrication of a non-exhaustive variety of perovskites exhibiting excellent film morphology and commensurate high performance in both regular and inverted structured solar cell architectures.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000392728200014	Publication Date	2016-10-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1521-4095	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	19.791	Times cited	95	Open Access
	Notes	This work was financially supported by BOF (Hasselt University) and the Research Fund Flanders (FWO). B.C. is a postdoctoral research fellow of the FWO. A.B. is financially supported by Imec and FWO. M.T.K. acknowledges funding from the EPSRC project EP/M024881/1 “Organic-inorganic Perovskite Hybrid Tandem Solar Cells”. S.B. is a VINNMER Fellow and Marie Skłodowska-Curie Fellow. J.V. and N.G. acknowledge funding from GOA project “Solarpaint” of the University of Antwerp and FWO project G.0044.13N “Charge ordering”. The Qu-Ant-EM microscope used for this study was partly funded by the Hercules fund from the Flemish Government. N.G. acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant 278510 VORTEX. The authors thank Johnny Baccus and Jan Mertens for technical support.; ECASJO_;			Approved	Most recent IF: 19.791; 2016 IF: NA
	Call Number	EMAT @ emat @ c:irua:138597			Serial	4318
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	Author	Zhang, Y.-R.; Neyts, E.C.; Bogaerts, A.
	Title	Influence of the Material Dielectric Constant on Plasma Generation inside Catalyst Pores			Type	A1 Journal article
	Year	2016	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	120	Issue	120	Pages	25923-25934
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Plasma catalysis is gaining increasing interest for various environmental applications, but the crucial question is whether plasma can be created inside catalyst pores and under which conditions. In practice, various catalytic support materials are used, with various dielectric constants. We investigate here the influence of the dielectric constant on the plasma properties inside catalyst pores and in the sheath in front of the pores, for various pore sizes. The calculations are performed by a two-dimensional fluid model for an atmospheric pressure dielectric barrier discharge in helium. The electron impact ionization rate, electron temperature, electron and ion density, as well as the potential distribution and surface charge density, are analyzed for a better understanding of the discharge behavior inside catalyst pores. The results indicate that, in a 100 μm pore, the electron impact ionization in the pore, which is characteristic for the plasma generation inside the pore, is greatly enhanced for dielectric constants below 300. Smaller pore sizes only yield enhanced ionization for smaller dielectric constants, i.e., up to εr = 200, 150, and 50 for pore sizes of 50, 30, and 10 μm. Thus, the most common catalyst supports, i.e., Al2O3 and SiO2, which have dielectric constants around εr = 8−11 and 4.2, respectively, should allow more easily that microdischarges can be formed inside catalyst pores, even for smaller pore sizes. On the other hand, ferroelectric materials with dielectric constants above 300 never seem to yield plasma enhancement inside catalyst pores, not even for 100 μm pore sizes. Furthermore, it is clear that the dielectric constant of the material has a large effect on the extent of plasma enhancement inside the catalyst pores, especially in the range between εr = 4 and εr = 200. The obtained results are explained in detail based on the surface charge density at the pore walls, and the potential distribution and electron temperature inside and above the pores. The results obtained with this model are important for plasma catalysis, as the production plasma species in catalyst pores might affect the catalyst properties, and thus improve the applications of plasma catalysis.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000388429100029	Publication Date	2016-11-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-7447	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.536	Times cited	34	Open Access
	Notes	This work was supported by the Fund for Scientific Research Flanders (FWO) (Grant G.0217.14N), the National Natural Science Foundation of China (Grant 11405019), and the China Postdoctoral Science Foundation (Grant 2015T80244). This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the University of Antwerp.			Approved	Most recent IF: 4.536
	Call Number	PLASMANT @ plasmant @ c:irua:138602			Serial	4319
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	Author	Karakulina, O.M.; Khasanova, N.R.; Drozhzhin, O.A.; Tsirlin, A.A.; Hadermann, J.; Antipov, E.V.; Abakumov, A.M.
	Title	Antisite Disorder and Bond Valence Compensation in Li₂FePO₄F Cathode for Li-Ion Batteries			Type	A1 Journal article
	Year	2016	Publication	Chemistry Of Materials	Abbreviated Journal	Chem Mater
	Volume	28	Issue	28	Pages	7578-7581
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000387518500004	Publication Date	2016-11-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0897-4756	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.466	Times cited	10	Open Access
	Notes	Russian Science Foundation, 16-19-00190 ; Fonds Wetenschappelijk Onderzoek, G040116N ;			Approved	Most recent IF: 9.466
	Call Number	EMAT @ emat @ c:irua:139170 c:irua:138599			Serial	4320
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	Author	Schalm, O.; Crabbé, A.; Storme, P.; Wiesinger, R.; Gambirasi, A.; Grieten, E.; Tack, P.; Bauters, S.; Kleber, C.; Favaro, M.; Schryvers, D.; Vincze, L.; Terryn, H.; Patelli, A.
	Title	The corrosion process of sterling silver exposed to a Na2S solution: monitoring and characterizing the complex surface evolution using a multi-analytical approach			Type	A1 Journal article
	Year	2016	Publication	Applied Physics A-Materials Science & Processing	Abbreviated Journal	Appl Phys A-Mater
	Volume	122	Issue	122	Pages	903
	Keywords	A1 Journal article; Electron Microscopy for Materials Science (EMAT);
	Abstract	Many historical ‘silver’ objects are composed of sterling silver, a silver alloy containing small amounts of copper. Besides the dramatic impact of copper on the corrosion process, the chemical composition of the corrosion layer evolves continuously. The evolution of the surface during the exposure to a Na2S solution was monitored by means of visual observation at macroscopic level, chemical analysis at microscopic level and analysis at the nanoscopic level. The corrosion process starts with the preferential oxidation of copper, forming mixtures of oxides and sulphides while voids are being created beneath the corrosion layer. Only at a later stage, the silver below the corrosion layer is consumed. This results in the formation of jalpaite and at a later stage of acanthite. The acanthite is found inside the corrosion layer at the boundaries of jalpaite grains and as individual grains between the jalpaite grains but also as a thin film on top of the corrosion layer. The corrosion process could be described as a sequence of 5 subsequent surface states with transitions between these states.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000384753800033	Publication Date	2016-09-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0947-8396	ISBN		Additional Links
	Impact Factor	1.455	Times cited	9	Open Access
	Notes	The authors are grateful for the financial support by the EU-FP7 Grant PANNA No. 282998 and for the opportunity to perform SR-XPS measurements at the NanoESCA beamline of the Elettra storage ring, under the approval of the advisory Committee (Proposal No. 20135164), as well as the opportunity to perform XANES measurements at the DUBBLE beamline of the ESRF storage ring (Proposal No. 26-01-990). The authors are grateful for the financial support by the STIMPRO Project FFB150215 of the University of Antwerp. Pieter Tack is funded by a Ph.D. Grant of the Agency for Innovation by Science and Technology (IWT). We would also like to thank Peter Van den Haute for the XRD measurements that were performed at the University of Ghent.			Approved	Most recent IF: 1.455
	Call Number	EMAT @ emat @			Serial	4331
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	Author	Li, K.; Idrissi, H.; Sha, G.; Song, M.; Lu, J.; Shi, H.; Wang, W.; Ringer, S.P.; Du, Y.; Schryvers, D.
	Title	Quantitative measurement for the microstructural parameters of nano-precipitates in Al-Mg-Si-Cu alloys			Type	A1 Journal article
	Year	2016	Publication	Materials characterization	Abbreviated Journal	Mater Charact
	Volume	118	Issue	118	Pages	352-362
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Size, number density and volume fraction of nano-precipitates are important microstructural parameters controlling the strengthening of materials. In this work a widely accessible, convenient, moderately time efficient method with acceptable accuracy and precision has been provided for measurement of volume fraction of nano-precipitates in crystalline materials. The method is based on the traditional but highly accurate technique of measuring foil thickness via convergent beam electron diffraction. A new equation is proposed and verified with the aid of 3-dimensional atom probe (3DAP) analysis, to compensate for the additional error resulted from the hardly distinguishable contrast of too short incomplete precipitates cut by the foil surface. The method can be performed on a regular foil specimen with a modem LaB6 or field-emission-gun transmission electron microscope. Precisions around +/- 16% have been obtained for precipitate volume fractions of needle-like beta ''/C and Q precipitates in an aged Al-Mg-Si-Cu alloy. The measured number density is dose to that directly obtained using 3DAP analysis by a misfit of 45%, and the estimated precision for number density measurement is about +/- 11%. The limitations of the method are also discussed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000383292000042	Publication Date	2016-06-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1044-5803	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.714	Times cited	9	Open Access
	Notes	This work is financially supported by National Natural Science Foundation of China (51501230 and 51531009) and Postdoctoral Science Foundation of Central South University (502042057). H.I. acknowledges the IAP program of the Belgian State Federal Office for Scientific, Technical and Cultural Affairs under Contract No. P7/21 and FWO project G.0576.09N.			Approved	Most recent IF: 2.714
	Call Number	EMAT @ emat @ c:irua:137171			Serial	4334
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	Author	Rodal-Cedeira, S.; Montes-García, V.; Polavarapu, L.; Solís, D.M.; Heidari, H.; La Porta, A.; Angiola, M.; Martucci, A.; Taboada, J.M.; Obelleiro, F.; Bals, S.; Pérez-Juste, J.; Pastoriza-Santos, I.
	Title	Plasmonic Au@Pd Nanorods with Boosted Refractive Index Susceptibility and SERS Efficiency: A Multifunctional Platform for Hydrogen Sensing and Monitoring of Catalytic Reactions			Type	A1 Journal article
	Year	2016	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	28	Issue	28	Pages	9169-9180
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Palladium nanoparticles (NPs) have received tremendous attention over the years due to their high catalytic activity for various chemical reactions. However, unlike other noble metal nanoparticles such as Au and Ag NPs, they exhibit poor plasmonic properties with broad extinction spectra and less scattering efficiency, and thus limiting their applications in the field of plasmonics. Therefore, it has been challenging to integrate tunable and strong plasmonic properties into catalytic Pd nanoparticles. Here we show that plasmonic Au@Pd nanorods (NRs) with relatively narrow and remarkably tunable optical responses in the NIR region can be obtained by directional growth of Pd on penta-twinned Au NR seeds. We found the presence of bromide ions facilitates the stabilization of facets for the directional growth of Pd shell to obtain Au@Pd nanorods (NR) with controlled length scales. Interestingly, it turns out the Au NR supported Pd NRs exhibit much narrow extinction compared to pure Pd NRs, which makes them suitable for plasmonic sensing applications. Moreover, these nanostructures display, to the best of our knowledge, one of the highest ensemble refractive index sensitivity values reported to date (1067 nm per refractive index unit, RIU). Additionally, we showed the application of such plasmonic Au@Pd NRs for localized surface plasmon resonance (LSPR)-based sensing of hydrogen both in solution as well as on substrate. Finally, we demonstrate the integration of excellent plasmonic properties in catalytic palladium enables the in situ monitoring of a reaction progress by surface-enhanced Raman scattering. We postulate the proposed approach to boost the plasmonic properties of Pd nanoparticles will ignite the design of complex shaped plasmonic Pd NPs to be used in various plasmonic applications such as sensing and in situ monitoring of various chemical reactions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000391080900036	Publication Date	2016-12-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0897-4756	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.466	Times cited	80	Open Access	OpenAccess
	Notes	Funding from Spanish Ministerio de Economía y Competitividad (Grants MAT2013-45168-R and MAT2016-77809-R) is gratefully acknowledge. A.L.P. and S.B. acknowledge support by the European Research Council through an ERC Starting Grant (#335078-COLOURATOMS). L. P. acknowledges the financial support from by the Alexander von Humboldt-Stiftung. V. M.-G. acknowledges the financial support from FPU scholarship from the Spanish MINECO. (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ECAS_Sara			Approved	Most recent IF: 9.466
	Call Number	EMAT @ emat @ c:irua:139513			Serial	4344
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	Author	Moldovan, D.; Peeters, F.M.
	Title	Atomic Collapse in Graphene			Type	P1 Proceeding
	Year	2016	Publication	Nanomaterials For Security	Abbreviated Journal
	Volume		Issue		Pages	3-17
	Keywords	P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	When the charge Z of an atom exceeds the critical value of 170, it will undergo a process called atomic collapse which triggers the spontaneous creation of electron-positron pairs. The high charge requirements have prevented the observation of this phenomenon with real atomic nuclei. However, thanks to the relativistic nature of the carriers in graphene, the same physics is accessible at a much lower scale. The atomic collapse analogue in graphene is realized using artificial nuclei which can be created via the deposition of impurities on the surface of graphene or using charged vacancies. These supercritically charged artificial nuclei trap electrons in a sequence of quasi-bound states which can be observed experimentally as resonances in the local density of states.
	Address
	Corporate Author				Thesis
	Publisher	Springer	Place of Publication	Dordrecht	Editor
	Language		Wos	000386506200001	Publication Date	2016-07-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	978-94-017-7593-9; 978-94-017-7591-5	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	3	Open Access
	Notes	; ;			Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:138237			Serial	4348
Permanent link to this record



	Author	Van der Donck, M.; De Beule, C.; Partoens, B.; Peeters, F.M.; Van Duppen, B.
	Title	Piezoelectricity in asymmetrically strained bilayer graphene			Type	A1 Journal article
	Year	2016	Publication	2D materials	Abbreviated Journal	2D Mater
	Volume	3	Issue	3	Pages	035015
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We study the electronic properties of commensurate faulted bilayer graphene by diagonalizing the one-particle Hamiltonian of the bilayer system in a complete basis of Bloch states of the individual graphene layers. Our novel approach is very general and can be easily extended to any commensurate graphene-based heterostructure. Here, we consider three cases: (i) twisted bilayer graphene, (ii) bilayer graphene where triaxial stress is applied to one layer and (iii) bilayer graphene where uniaxial stress is applied to one layer. We show that the resulting superstructures can be divided into distinct classes, depending on the twist angle or the magnitude of the induced strain. The different classes are distinguished from each other by the interlayer coupling mechanism, resulting in fundamentally different low-energy physics. For the cases of triaxial and uniaxial stress, the individual graphene layers tend to decouple and we find significant charge transfer between the layers. In addition, this piezoelectric effect can be tuned by applying a perpendicular electric field. Finally, we show how our approach can be generalized to multilayer systems.
	Address
	Corporate Author				Thesis
	Publisher	IOP Publishing	Place of Publication	Bristol	Editor
	Language		Wos	000384072500003	Publication Date	2016-08-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2053-1583	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.937	Times cited	10	Open Access
	Notes	; This work was supported by the Research Foundation-Flanders (FWO-Vl) through aspirant research grants to MVDD, CDB, and BVD. ;			Approved	Most recent IF: 6.937
	Call Number	UA @ lucian @ c:irua:137203			Serial	4361
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	Author	De Bie, C.; van Dijk, J.; Bogaerts, A.
	Title	CO₂Hydrogenation in a Dielectric Barrier Discharge Plasma Revealed			Type	A1 Journal article
	Year	2016	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	120	Issue	120	Pages	25210-25224
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The hydrogenation of carbon dioxide in a dielectric barrier discharge plasma is studied with a one-dimensional fluid model. The spatially averaged densities of the most important end products formed in the CO2/H2 mixture are determined as a function of the initial gas mixing ratio. CO and H2O are found to be present at the highest densities and to a lower content also CH4, C2H6, CH2O, CH3OH, O2, and some other higher hydrocarbons and oxygenates. The main underlying reaction pathways for the conversion of the inlet gases and the formation of CO, CH4, CH2O, and CH3OH are pointed out for various gas mixing ratios. The CO2 conversion and the production of value added products is found to be quite low, also in comparison to a CO2/CH4 mixture, and this can be explained by the model.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000387737900007	Publication Date	2016-11-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-7447	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.536	Times cited	16	Open Access
	Notes	Federaal Wetenschapsbeleid; Fonds Wetenschappelijk Onderzoek;			Approved	Most recent IF: 4.536
	Call Number	PLASMANT @ plasmant @ c:irua:140082 c:irua:139167			Serial	4414
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	Author	Barreca, D.; Carraro, G.; Gasparotto, A.; Maccato, C.; Warwick, M.E.A.; Toniato, E.; Gombac, V.; Sada, C.; Turner, S.; Van Tendeloo, G.; Fornasiero, P.;
	Title	Iron-titanium oxide nanocomposites functionalized with gold particles : from design to solar hydrogen production			Type	A1 Journal article
	Year	2016	Publication	Advanced Materials Interfaces	Abbreviated Journal	Adv Mater Interfaces
	Volume	3	Issue	3	Pages	1600348
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Hematite-titania nanocomposites, eventually functionalized with gold nanoparticles (NPs), are designed and developed by a plasma-assisted strategy, consisting in: (i) the plasma enhanced-chemical vapor deposition of -Fe2O3 on fluorine-doped tin oxide substrates; the radio frequency-sputtering of (ii) TiO2, and (iii) Au in controlled amounts. A detailed chemicophysical characterization, carried out through a multitechnique approach, reveals that the target materials are composed by interwoven -Fe2O3 dendritic structures, possessing a high porosity and active area. TiO2 introduction results in the formation of an ultrathin titania layer uniformly covering Fe2O3, whereas Au sputtering yields a homogeneous dispersion of low-sized gold NPs. Due to the intimate and tailored interaction between the single constituents and their optical properties, the resulting composite materials are successfully exploited for solar-driven applications. In particular, promising photocatalytic performances in H-2 production by reforming of water-ethanol solutions under simulated solar illumination are obtained. The related insights, presented and discussed in this work, can yield useful guidelines to boost the performances of nanostructured photocatalysts for energy-related applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000383783200021	Publication Date	2016-07-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2196-7350;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.279	Times cited	15	Open Access
	Notes				Approved	Most recent IF: 4.279
	Call Number	UA @ lucian @ c:irua:137154			Serial	4389
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	Author	Naik, P.V.; Wee, L.H.; Meledina, M.; Turner, S.; Li, Y.; Van Tendeloo, G.; Martens, J.A.; Vankelecom, I.F.J.
	Title	PDMS membranes containing ZIF-coated mesoporous silica spheres for efficient ethanol recovery via pervaporation			Type	A1 Journal article
	Year	2016	Publication	Journal of materials chemistry A : materials for energy and sustainability	Abbreviated Journal	J Mater Chem A
	Volume	4	Issue	4	Pages	12790-12798
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The design of functional micro- and mesostructured composite materials is significantly important for separation processes. Mesoporous silica is an attractive material for fast diffusion, while microporous zeolitic imidazolate frameworks (ZIFs) are beneficial for selective adsorption and diffusion. In this work, ZIF-71 and ZIF-8 nanocrystals were grown on the surface of mesoporous silica spheres (MSS) via the seeding and regrowth approach in order to obtain monodispersed MSS-ZIF-71 and MSS-ZIF-8 spheres with a particle size of 2-3 mm. These MSS-ZIF spheres were uniformly dispersed into a polydimethylsiloxane (PDMS) matrix to prepare mixed matrix membranes (MMMs). These MMMs were evaluated for the separation of ethanol from water via pervaporation. The pervaporation results reveal that the MSS-ZIF filled MMMs substantially improve the ethanol recovery in both aspects viz. flux and separation factor. These MMMs outperforms the unfilled PDMS membranes and the conventional carbon and zeolite filled MMMs. As expected, the mesoporous silica core allows very fast flow of the permeating compound, while the hydrophobic ZIF coating enhances the ethanol selectivity through its specific pore structure, hydrophobicity and surface chemistry. It can be seen that ZIF-8 mainly has a positive impact on the selectivity, while ZIF-71 enhances fluxes more significantly.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000382015100012	Publication Date	2016-07-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2050-7488; 2050-7496	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.867	Times cited	26	Open Access
	Notes				Approved	Most recent IF: 8.867
	Call Number	UA @ lucian @ c:irua:137188			Serial	4395
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	Author	Kurttepeli, M.; Locus, R.; Verboekend, D.; de Clippel, F.; Breynaert, E.; Martens, J.; Sels, B.; Bals, S.
	Title	Synthesis of aluminum-containing hierarchical mesoporous materials with columnar mesopore ordering by evaporation induced self assembly			Type	A1 Journal article
	Year	2016	Publication	Microporous and mesoporous materials: zeolites, clays, carbons and related materials	Abbreviated Journal	Micropor Mesopor Mat
	Volume	234	Issue	234	Pages	186-195
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The incorporation of aluminum into the silica columns of hierarchical mesoporous materials (HMMs) was studied. The HMMs were synthesized by a combination of hard and soft templating methods, forming mesoporous SBA-15-type silica columns inside the pores of anodic aluminum oxide membranes via evaporation induced self-assembly (EISA). By adding Al-isopropoxide to the EISA-mixture a full tetrahedral incorporation of Al and thus the creation of acid sites was achieved, which was proved by nuclear magnetic resonance spectroscopy. Electron microscopy showed that the use of Al-isopropoxide as an Al source for the HMMs led to a change in the mesopore ordering of silica material from circular hexagonal (donut-like) to columnar hexagonal and a 37% increase in specific surface (BET surface). These results were confirmed by a combination of nitrogen physisorption and small-angle X-ray scattering experiments and can be attributed to a swelling of the P123 micelles with isopropanol. The columnar mesopore ordering of silica is advantageous towards the pore accessibility and therefore preferential for many possible applications including catalysis and adsorption on the acid tetrahedral Al-sites. (C) 2016 Elsevier Inc. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000383291400020	Publication Date	2016-07-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1387-1811	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.615	Times cited	5	Open Access	OpenAccess
	Notes	; The Belgian government (Belgian Science Policy Office, Belspo) is acknowledged for financing the Interuniversity Attraction Poles (IAP-PAI). S. B. acknowledges the financial support from the European Research Council (ERC Starting Grant #335078-COLOURATOMS). D. V. acknowledges the Flanders Research Foundation (FWO). ; ecas_Sara			Approved	Most recent IF: 3.615
	Call Number	UA @ lucian @ c:irua:137108			Serial	4404
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	Author	Zhang, F.; Inokoshi, M.; Batuk, M.; Hadermann, J.; Naert, I.; Van Meerbeek, B.; Vleugels, J.
	Title	Strength, toughness and aging stability of highly-translucent Y-TZP ceramics for dental restorations			Type	A1 Journal article
	Year	2016	Publication	Dental materials	Abbreviated Journal	Dent Mater
	Volume	32	Issue	12	Pages	E327-E337
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Objective. The aim was to evaluate the optical properties, mechanical properties and aging stability of yttria-stabilized zirconia with different compositions, highlighting the influence of the alumina addition, Y2O3 content and La2O3 doping on the translucency. Methods. Five different Y-TZP zirconia powders (3 commercially available and 2 experimentally modified) were sintered under the same conditions and characterized by X-ray diffraction with Rietveld analysis and scanning electron microscopy (SEM). Translucency (n = 6/group) was measured with a color meter, allowing to calculate the translucency parameter (TP) and the contrast ratio (CR). Mechanical properties were appraised with four-point bending strength (n = 10), single edge V-notched beam (SEVNB) fracture toughness (n = 8) and Vickers hardness (n = 10). The aging stability was evaluated by measuring the tetragonal to monoclinic transformation (n = 3) after accelerated hydrothermal aging in steam at 134 degrees C, and the transformation curves were fitted by the Mehl-Avrami-Johnson (MAJ) equation. Data were analyzed by one-way ANOVA, followed by Tukey's HSD test (alpha = 0.05). Results. Lowering the alumina content below 0.25 wt.% avoided the formation of alumina particles and therefore increased the translucency of 3Y-TZP ceramics, but the hydrothermal aging stability was reduced. A higher yttria content (5 mol%) introduced about 50% cubic zirconia phase and gave rise to the most translucent and aging-resistant Y-TZP ceramics, but the fracture toughness and strength were considerably sacrificed. 0.2 mol% La2O3 doping of 3Y-TZP tailored the grain boundary chemistry and significantly improved the aging resistance and translucency. Although the translucency improvement by La2O3 doping was less effective than for introducing a substantial amount of cubic zirconia, this strategy was able to maintain the mechanical properties of typical 3Y-TZP ceramics. Significance. Three different approaches were compared to improve the translucency of 3YTZP ceramics. (C) 2016 The Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Copenhagen	Editor
	Language		Wos	000389516400003	Publication Date
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0109-5641	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	4.07	Times cited	47	Open Access
	Notes				Approved	Most recent IF: 4.07
	Call Number	UA @ lucian @ c:irua:140246			Serial	4447
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	Author	Sankaran, K.J.; Hoang, D.Q.; Srinivasu, K.; Korneychuk, S.; Turner, S.; Drijkoningen, S.; Pobedinskas, P.; Verbeeck, J.; Leou, K.C.; Lin, I.N.; Haenen, K.
	Title				Type	A1 Journal article
	Year	2016	Publication	Physica status solidi : A : applications and materials science	Abbreviated Journal	Phys Status Solidi A
	Volume	213	Issue	10	Pages	2654-2661
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Utilization of Au and nanocrystalline diamond ( NCD) as interlayers noticeably modifies the microstructure and field electron emission ( FEE) properties of hexagonal boron nitride nanowalls ( hBNNWs) grown on Si substrates. The FEE properties of hBNNWs on Au could be turned on at a low turn-on field of 14.3V mu m(-1), attaining FEE current density of 2.58mAcm(-2) and life-time stability of 105 min. Transmission electron microscopy reveals that the Au-interlayer nucleates the hBN directly, preventing the formation of amorphous boron nitride ( aBN) in the interface, resulting in enhanced FEE properties. But Au forms as droplets on the Si substrate forming again aBN at the interface. Conversely, hBNNWs on NCD shows superior in life-time stability of 287 min although it possesses inferior FEE properties in terms of larger turn-on field and lower FEE current density as compared to that of hBNNWs-Au. The uniform and continuous NCD film on Si also circumvents the formation of aBN phases and allows hBN to grow directly on NCD. Incorporation of carbon in hBNNWs from the NCD-interlayer improves the conductivity of hBNNWs, which assists in transporting the electrons efficiently from NCD to hBNNWs that results in better field emission of electrons with high life-time stability. (C) 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000388321500017	Publication Date	2016-09-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1862-6300	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.775	Times cited	5	Open Access
	Notes	The authors like to thank the financial support of the Research Foundation Flanders (FWO) via Research Projects G.0456.12 and G.0044.13N, the Methusalem “NANO” network. K. J. Sankaran, P. Pobedinskas, and S. Turner are FWO Postdoctoral Fellows of the Research Foundations Flanders (FWO).			Approved	Most recent IF: 1.775
	Call Number	UA @ lucian @ c:irua:144644UA @ admin @ c:irua:144644			Serial	4655
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	Author	van den Broek, B.; Houssa, M.; Iordanidou, K.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A.
	Title	Functional silicene and stanene nanoribbons compared to graphene: electronic structure and transport			Type	A1 Journal article
	Year	2016	Publication	2D materials	Abbreviated Journal	2D Mater
	Volume	3	Issue	1	Pages	015001
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Since the advent of graphene, other 2D materials have garnered interest; notably the single element materials silicene, germanene, and stanene. Weinvestigate the ballistic current-voltage (I-V) characteristics of armchair silicene and stanene armchair nanoribbons (AXNRs with X = Si, Sn) using a combination of density functional theory and non-equilibrium Green's functions. The impact of out-of-plane electric field and in-plane uniaxial strain on the ribbon geometries, electronic structure, and (I-V)s are considered and contrasted with graphene. Since silicene and stanene are sp(2)/sp(3) buckled layers, the electronic structure can be tuned by an electric field that breaks the sublattice symmetry, an effect absent in graphene. This decreases the current by similar to 50% for Sn, since it has the largest buckling. Uniaxial straining of the ballistic channel affects the AXNR electronic structure in multiple ways: it changes the bandgap and associated effective carrier mass, and creates a local buckling distortion at the lead-channel interface which induces a interface dipole. Due to the increasing sp(3) hybridization character with increasing element mass, large reconstructions rectify the strained systems, an effect absent in sp(2) bonded graphene. This results in a smaller strain effect on the current: a decrease of 20% for Sn at 15% tensile strain compared to a similar to 75% decrease for C.
	Address
	Corporate Author				Thesis
	Publisher	IOP Publishing	Place of Publication	Bristol	Editor
	Language		Wos	000373936300021	Publication Date	2016-01-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2053-1583	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.937	Times cited	19	Open Access
	Notes				Approved	Most recent IF: 6.937
	Call Number	UA @ lucian @ c:irua:144746			Serial	4658
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	Author	De Dobbelaere, C.; Lourdes Calzada, M.; Bretos, I.; Jimenez, R.; Ricote, J.; Hadermann, J.; Hardy, A.; Van Bael, M.K.
	Title	Gaining new insight into low-temperature aqueous photochemical solution deposited ferroelectric PbTiO3 films			Type	A1 Journal article
	Year	2016	Publication	Materials chemistry and physics	Abbreviated Journal	Mater Chem Phys
	Volume	174	Issue		Pages	28-40
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The nature of the low-temperature photochemical assisted formation process of ferroelectric lead titanate (PbTiO3) films is studied in the present work. Films are obtained by the deposition of an aqueous solution containing citric acid based (citrato) metal ion complexes with intrinsic UV activity. This UV activity is crucial for the aqueous photochemical solution deposition (aqueous PCSD) route being used. UV irradiation enhances the early decomposition of organics and results in improved electrical properties for the crystalline oxide film, even if the film is crystallized at low temperature. GATR-FTIR shows that UV irradiation promotes the decomposition of organic precursor components, resulting in homogeneous films if applied in the right temperature window during film processing. The organic content, morphology and crystallinity of the irradiated films, achieved at different processing atmospheres and temperatures, is studied and eventually correlated to the functional behavior of the obtained films. This is an important issue, as crystalline films obtained at low temperatures often lack ferroelectric responses. In this work, the film prepared in pure oxygen at the very low temperature of 400 degrees C and after an optimized UV treatment presents a significant remanent polarization value of P-r = 8.8 mu C cm(-2). This value is attributed to the better crystallinity, the larger grain size and the reduced porosity obtained thanks to the early film crystallization effectively achieved through the UV treatment in oxygen. (C) 2016 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lausanne	Editor
	Language		Wos	000373865700005	Publication Date	2016-03-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0254-0584	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.084	Times cited	4	Open Access
	Notes				Approved	Most recent IF: 2.084
	Call Number	UA @ lucian @ c:irua:144729			Serial	4659
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	Author	Çakir, D.; Sevik, C.; Gulseren, O.; Peeters, F.M.
	Title	Mo2C as a high capacity anode material: a first-principles study			Type	A1 Journal article
	Year	2016	Publication	Journal of materials chemistry A : materials for energy and sustainability	Abbreviated Journal	J Mater Chem A
	Volume	4	Issue	16	Pages	6029-6035
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	The adsorption and diffusion of Li, Na, K and Ca atoms on a Mo2C monolayer are systematically investigated by using first principles methods. We found that the considered metal atoms are strongly bound to the Mo2C monolayer. However, the adsorption energies of these alkali and earth alkali elements decrease as the coverage increases due to the enhanced repulsion between the metal ions. We predict a significant charge transfer from the ad-atoms to the Mo2C monolayer, which indicates clearly the cationic state of the metal atoms. The metallic character of both pristine and doped Mo2C ensures a good electronic conduction that is essential for an optimal anode material. Low migration energy barriers are predicted as small as 43 meV for Li, 19 meV for Na and 15 meV for K, which result in the very fast diffusion of these atoms on Mo2C. For Mo2C, we found a storage capacity larger than 400 mA h g(-1) by the inclusion of multilayer adsorption. Mo2C expands slightly upon deposition of Li and Na even at high concentrations, which ensures the good cyclic stability of the atomic layer. The calculated average voltage of 0.68 V for Li and 0.30 V for Na ions makes Mo2C attractive for low charging voltage applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000374790700033	Publication Date	2016-03-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2050-7488; 2050-7496	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.867	Times cited	202	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), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. C. S. acknowledges the support from Turkish Academy of Sciences (TUBA-GEBIP). C. S acknowledges the support from Anadolu University (Grant No. 1407F335). We acknowledge the support from TUBITAK, The Scientific and Technological Research Council of Turkey (Grant No. 115F024). ;			Approved	Most recent IF: 8.867
	Call Number	UA @ lucian @ c:irua:144763			Serial	4669
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