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	Author	Mourdikoudis, S.; Montes-Garcia, V.; Rodal-Cedeira, S.; Winckelmans, N.; Perez-Juste, I.; Wu, H.; Bals, S.; Perez-Juste, J.; Pastoriza-Santos, I.
	Title	Highly porous palladium nanodendrites : wet-chemical synthesis, electron tomography and catalytic activity			Type	A1 Journal article
	Year	2019	Publication	Journal of the Chemical Society : Dalton transactions	Abbreviated Journal
	Volume	48	Issue	48	Pages	3758-3767
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A simple procedure to obtain highly porous hydrophilic palladium nanodendrites in one-step is described. The synthetic strategy is based on the thermal reduction of a Pd precursor in the presence of a positively charged polyelectrolyte such as polyethylenimine (PEI). Advanced electron microscopy techniques combined with X-ray diffraction (XRD), thermogravimetry and BET analysis demonstrate the polycrystalline nature of the nanodendrites as well as their high porosity and active surface area, facilitating a better understanding of their unique morphology. Besides, catalytic studies performed using Raman scattering and UV-Vis spectroscopies revealed that the nanodendrites exhibit a superior performance as recyclable catalysts towards hydrogenation reaction compared to other noble metal nanoparticles.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000461088700027	Publication Date	2019-02-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0300-9246; 1477-9226; 1472-7773	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	23	Open Access	OpenAccess
	Notes	; This work was supported by the Ministerio de Economia y Competitividad (MINECO, Spain) under the Grant MAT2016-77809-R, Xunta de Galicia (GRC ED431C 2016-048 and Centro Singular de Investigacion de Galicia (ED431G/02)) and Fundacion Ramon Areces (SERSforSafety). S. M. acknowledges funding from the General Secretariat for Research and Technology in Greece (Project PE4 (1546)). S. B. and N. W. acknowledge financial support by the European Research Council (ERC Starting Grant #335078-COLOURATOMS). We thank the EPSRC CNIE Research Facility (EPSRC Award, EP/K038656/1) at the University College London for the collection of the BET data. Authors thank J. Millos for the XRD measurements. ;			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:158530			Serial	5251
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	Author	Irtem, E.; Arenas Esteban, D.; Duarte, M.; Choukroun, D.; Lee, S.; Ibáñez, M.; Bals, S.; Breugelmans, T.
	Title	Ligand-Mode Directed Selectivity in Cu–Ag Core–Shell Based Gas Diffusion Electrodes for CO₂Electroreduction			Type	A1 Journal article
	Year	2020	Publication	Acs Catalysis	Abbreviated Journal	Acs Catal
	Volume		Issue		Pages	13468-13478
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)
	Abstract	Bimetallic nanoparticles with tailored size and specific composition have shown promise as stable and selective catalysts for electrochemical reduction of CO2 (CO2R) in batch systems. Yet, limited effort was devoted to understand the effect of ligand coverage and postsynthesis treatments on CO2 reduction, especially under industrially applicable conditions, such as at high currents (>100 mA/cm2) using gas diffusion electrodes (GDE) and flow reactors. In this work, Cu–Ag core–shell nanoparticles (11 ± 2 nm) were prepared with three different surface modes: (i) capped with oleylamine, (ii) capped with monoisopropylamine, and (iii) surfactant free with a reducing borohydride agent; Cu–Ag (OAm), Cu–Ag (MIPA), and Cu–Ag (NaBH4), respectively. The ligand exchange and removal was evidenced by infrared spectroscopy (ATR-FTIR) analysis, whereas high-resolution scanning transmission electron microscopy (HAADF-STEM) showed their effect on the interparticle distance and nanoparticle rearrangement. Later on, we developed a process-on-substrate method to track these effects on CO2R. Cu–Ag (OAm) gave a lower on-set potential for hydrocarbon production, whereas Cu–Ag (MIPA) and Cu–Ag (NaBH4) promoted syngas production. The electrochemical impedance and surface area analysis on the well-controlled electrodes showed gradual increases in the electrical conductivity and active surface area after each surface treatment. We found that the increasing amount of the triple phase boundaries (the meeting point for the electron–electrolyte–CO2 reactant) affect the required electrode potential and eventually the C+2e̅/C2e̅ product ratio. This study highlights the importance of the electron transfer to those active sites affected by the capping agents—particularly on larger substrates that are crucial for their industrial application.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000592978900031	Publication Date	2020-11-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2155-5435	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.9	Times cited	23	Open Access	OpenAccess
	Notes	The authors also acknowledge financial support from the University Research Fund (BOF-GOA-PS ID No. 33928). S.L. has received funding from the European Union’s Horizon 2020 research and innovation program under the Marie SkłodowskaCurie Grant Agreement No. 665385.			Approved	Most recent IF: 12.9; 2020 IF: 10.614
	Call Number	EMAT @ emat @c:irua:173803			Serial	6432
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	Author	Walter, A.L.; Sahin, H.; Jeon, K.J.; Bostwick, A.; Horzum, S.; Koch, R.; Speck, F.; Ostler, M.; Nagel, P.; Merz, M.; Schupler, S.; Moreschini, L.; Chang, Y.J.; Seyller, T.; Peeters, F.M.; Horn, K.; Rotenberg, E.;
	Title	Luminescence, patterned metallic regions, and photon-mediated electronic changes in single-sided fluorinated graphene sheets			Type	A1 Journal article
	Year	2014	Publication	ACS nano	Abbreviated Journal	Acs Nano
	Volume	8	Issue	8	Pages	7801-7808
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	Single-sided fluorination has been predicted to open an electronic band gap in graphene and to exhibit unique electronic and magnetic properties; however, this has not been substantiated by experimental reports. Our comprehensive experimental and theoretical study of this material on a SiC(0001) substrate shows that single-sided fluorographene exhibits two phases, a stable one with a band gap of similar to 6 eV and a metastable one, induced by UV irradiation, with a band gap of similar to 2.5 eV. The metastable structure, which reverts to the stable “ground-state” phase upon annealing under emission of blue light, in our view is induced by defect states, based on the observation of a nondispersive electronic state at the top of the valence band, not unlike that found in organic molecular layers. Our structural data show that the stable C2F ground state has a “boat” structure, in agreement with our X-ray magnetic circular dichroism data, which show the absence of an ordered magnetic phase. A high flux of UV or X-ray photons removes the fluorine atoms, demonstrating the possibility of lithographically patterning conducting regions into an otherwise semiconducting 2D material.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000340992300025	Publication Date	2014-08-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1936-0851;1936-086X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	13.942	Times cited	23	Open Access
	Notes				Approved	Most recent IF: 13.942; 2014 IF: 12.881
	Call Number	UA @ lucian @ c:irua:119263			Serial	1857
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	Author	Schowalter, M.; Rosenauer, A.; Titantah, J.T.; Lamoen, D.
	Title	Temperature-dependent Debye-Waller factors for semiconductors with the wurtzite-type structure			Type	A1 Journal article
	Year	2009	Publication	Acta crystallographica: section A: foundations of crystallography	Abbreviated Journal	Acta Crystallogr A
	Volume	65	Issue		Pages	227-231
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We computed Debye-Waller factors in the temperature range from 0.1 to 1000 K for AlN, GaN, InN, ZnO and CdO with the wurtzite-type structure. The Debye-Waller factors were derived from phonon densities of states obtained from Hellmann-Feynman forces computed within the density-functional-theory formalism. The temperature dependences of the Debye-Waller factors were fitted and fit parameters are given.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Copenhagen	Editor
	Language		Wos	000264927100006	Publication Date	2009-03-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0108-7673;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.725	Times cited	23	Open Access
	Notes	Fwo G.0425.05; Esteem 026019			Approved	Most recent IF: 5.725; 2009 IF: 49.926
	Call Number	UA @ lucian @ c:irua:74565			Serial	3497
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	Author	Arakcheeva, A.; Pattison, P.; Chapuis, G.; Rossell, M.; Filaretov, A.; Morozov, V.; Van Tendeloo, G.
	Title	KSm(MoO₄)₂, an incommensurately modulated and partially disordered scheelite-like structure			Type	A1 Journal article
	Year	2008	Publication	Acta crystallographica: section B: structural science	Abbreviated Journal	Acta Crystallogr B
	Volume	64	Issue	Part 2	Pages	160-171
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The incommensurately modulated scheelite-like KSm( MoO4)(2) structure has been refined in the monoclinic superspace group I2/b(alpha beta 0)00 by the Rietveld method on the basis of synchrotron radiation powder diffraction data. The systematic broadening of satellite reflections has been accounted for by applying anisotropic microstrain line-broadening. The microstructure has been studied by transmission electron microscopy (TEM). The partial disorder of the K and Sm cations in the A position is best approximated by a combination of harmonic and complex crenel functions with (0.952Sm + 0.048K) and (0.952K + 0.048Sm) atomic domains. This combination yields a compositional wave distribution from {KMoO4} to {SmMoO4} observed in the ab structure projection along q. The specific features of KSm(MoO4)(2) and degree of the A-cation ordering are discussed in comparison with the previously reported structure of KNd(MoO4)(2).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Copenhagen	Editor
	Language		Wos	000253992600004	Publication Date	2008-03-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0108-7681;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	23	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:102618			Serial	3539
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	Author	Bartova, B.; Wiese, N.; Schryvers, D.; Chapman, J.N.; Ignacova, S.
	Title	Microstructure of precipitates and magnetic domain structure in an annealed Co₃₈Ni₃₃Al₂₉ shape memory alloy			Type	A1 Journal article
	Year	2008	Publication	Acta materialia	Abbreviated Journal	Acta Mater
	Volume	56	Issue	16	Pages	4470-4476
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The microstructure of a Co38Ni33Al29 ferromagnetic shape memory alloy was determined by conventional transmission electron microscopy (TEM), electron diffraction studies together with advanced microscopy techniques and in situ Lorentz microscopy. Rod-like precipitates, 1060 nm long, of hexagonal close-packed -Co were confirmed to be present by high-resolution TEM. The orientation relationship between the precipitates and B2 matrix is described by the Burgers orientation relationship. The crystal structure of the martensite obtained after cooling is tetragonal L10 with a (111) twinning plane. The magnetic domain structure was determined during an in situ cooling experiment using the Fresnel mode of Lorentz microscopy. While transformation proceeds from B2 austenite to L10 martensite, new domains are nucleated, leading to a decrease in domain width, with the magnetization lying predominantly along a single direction. It was possible to completely describe the relationship between magnetic domains and crystallographic directions in the austenite phase though complications existed for the martensite phase.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000259931300033	Publication Date	2008-06-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-6454;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.301	Times cited	23	Open Access
	Notes	Multimat			Approved	Most recent IF: 5.301; 2008 IF: 3.729
	Call Number	UA @ lucian @ c:irua:72321			Serial	2072
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	Author	Li, Y.J.; Wang, J.J.; Ye, J.C.; Ke, X.X.; Gou, G.Y.; Wei, Y.; Xue, F.; Wang, J.; Wang, C.S.; Peng, R.C.; Deng, X.L.; Yang, Y.; Ren, X.B.; Chen, L.Q.; Nan, C.W.; Zhang, J.X.;
	Title	Mechanical switching of nanoscale multiferroic phase boundaries			Type	A1 Journal article
	Year	2015	Publication	Advanced functional materials	Abbreviated Journal	Adv Funct Mater
	Volume	25	Issue	25	Pages	3405-3413
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Tuning the lattice degree of freedom in nanoscale functional crystals is critical to exploit the emerging functionalities such as piezoelectricity, shape-memory effect, or piezomagnetism, which are attributed to the intrinsic lattice-polar or lattice-spin coupling. Here it is reported that a mechanical probe can be a dynamic tool to switch the ferroic orders at the nanoscale multiferroic phase boundaries in BiFeO3 with a phase mixture, where the material can be reversibly transformed between the soft tetragonal-like and the hard rhombohedral-like structures. The microscopic origin of the nonvolatile mechanical switching of the multiferroic phase boundaries, coupled with a reversible 180 degrees rotation of the in-plane ferroelectric polarization, is the nanoscale pressure-induced elastic deformation and reconstruction of the spontaneous strain gradient across the multiferroic phase boundaries. The reversible control of the room-temperature multiple ferroic orders using a pure mechanical stimulus may bring us a new pathway to achieve the potential energy conversion and sensing applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000355992600017	Publication Date	2015-04-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1616-301X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.124	Times cited	23	Open Access
	Notes				Approved	Most recent IF: 12.124; 2015 IF: 11.805
	Call Number	c:irua:126430			Serial	1976
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	Author	Liao, Z; , Green, R.J; Gauquelin, N; Macke, S.; Li, L.; Gonnissen, J; Sutarto, R.; Houwman, E.P.; Zhong, Z.; Van Aert, S.; Verbeeck, J.; Sawatzky, G.A.; Huijben, M.; Koster, G.; Rijnders, G.
	Title	Long-Range Domain Structure and Symmetry Engineering by Interfacial Oxygen Octahedral Coupling at Heterostructure Interface			Type	A1 Journal article
	Year	2016	Publication	Advanced functional materials	Abbreviated Journal	Adv Funct Mater
	Volume	26	Issue	26	Pages	6627-6634
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	In epitaxial thin film systems, the crystal structure and its symmetry deviate from the bulk counterpart due to various mechanisms such as epitaxial strain and interfacial structural coupling, which is accompanyed by a change in their properties. In perovskite materials, the crystal symmetry can be described by rotations of sixfold coordinated transition metal oxygen octahedra, which are found to be altered at interfaces. Here, it is unraveled how the local oxygen octahedral coupling at perovskite heterostructural interfaces strongly influences the domain structure and symmetry of the epitaxial films resulting in design rules to induce various structures in thin films using carefully selected combinations of substrate/buffer/film. Very interestingly it is discovered that these combinations lead to structure changes throughout the full thickness of the film. The results provide a deep insight into understanding the origin of induced structures in a perovskite heterostructure and an intelligent route to achieve unique functional properties.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000384809800010	Publication Date	2016-06-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1616-301x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.124	Times cited	23	Open Access
	Notes	We thank B. Keimer for valuable discussions. M.H., G.K. and G.R. acknowledge funding from DESCO program of the Dutch Foundation for Fundamental Research on Matter (FOM) with financial support from the Netherlands Organization for Scientific Research (NWO). This work was funded by the European Union Council under the 7th Framework Program (FP7) grant nr NMP3-LA-2010-246102 IFOX. J.V. and S.V.A. acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0044.13N, G.0374.13N, G.0368.15N, G.0369.15N). The Qu-Ant-EM microscope 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. N.G., J.G., S.V.A., J.V. acknowledge financial support from the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure Initiative (Reference No. 312483-ESTEEM2). The Canadian work was supported by NSERC and the Max Planck-UBC Centre for Quantum Materials. Some experiments for this work were performed at the Canadian Light Source, which is funded by the Canada Foundation for Innovation, NSERC, the National Research Council of Canada, the Canadian Institutes of Health Research, the Government of Saskatchewan, Western Economic Diversification Canada, and the University of Saskatchewan.; esteem2jra2; esteem2jra3; ECASJO_;			Approved	Most recent IF: 12.124
	Call Number	EMAT @ emat @ c:irua:144663UA @ admin @ c:irua:144663			Serial	4106
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	Author	Gonnissen, J.; Batuk, D.; Nataf, G.F.; Jones, L.; Abakumov, A.M.; Van Aert, S.; Schryvers, D.; Salje, E.K.H.
	Title	Direct Observation of Ferroelectric Domain Walls in LiNbO₃: Wall-Meanders, Kinks, and Local Electric Charges			Type	A1 Journal article
	Year	2016	Publication	Advanced functional materials	Abbreviated Journal	Adv Funct Mater
	Volume	26	Issue	26	Pages	7599-7604
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Direct observations of the ferroelectric domain boundaries in LiNbO3 are performed using high-resolution high-angle annular dark field scanning transmission electron microscopy imaging, revealing a very narrow width of the domain wall between the 180° domains. The domain walls demonstrate local side-way meandering, which results in inclinations even when the overall wall orientation follows the ferroelectric polarization. These local meanders contain kinks with “head-to-head” and “tail-to-tail” dipolar configurations and are therefore locally charged. The charged meanders are confined to a few cation layers along the polarization direction and are separated by longer stretches of straight domain walls.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000388166700006	Publication Date	2016-09-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1616-301X	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.124	Times cited	23	Open Access
	Notes	J.G. acknowledges the support from the Research Foundation Flanders (FWO, Belgium) through various project fundings (G.0368.15N, G.0369.15N, and G.0374.13N), as well as the financial support from the European Union Seventh Framework Program (FP7/2007–2013) under Grant agreement no. 312483 (ESTEEM2). The authors thank J. Hadermann for useful suggestions on the interpretation of the HAADFSTEM images. E.K.H.S. thanks the EPSRC (EP/K009702/1) and the Leverhulme Trust (EM-2016-004) for support. G.F.N. thanks the National Research Fund, Luxembourg (FNR/P12/4853155/Kreisel) for support.; esteem2_jra2			Approved	Most recent IF: 12.124
	Call Number	c:irua:135336 c:irua:135336			Serial	4129
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	Author	Rather, J.A.; Pilehvar, S.; De Wael, K.
	Title	A biosensor fabricated by incorporation of a redox mediator into a carbon nanotube/nafion composite for tyrosinase immobilization : detection of matairesinol, an endocrine disruptor			Type	A1 Journal article
	Year	2013	Publication	The analyst	Abbreviated Journal	Analyst
	Volume	238	Issue		Pages	204-210
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	An electrochemical matairesinol biosensor was fabricated by immobilizing tyrosinase on a poly(thionine)/nafion/multi-walled carbon nanotube composite film. A polymeric film of the redox dye thionine enables the stable immobilization of tyrosinase while acting as a mediator for the enzymatic process has been incorporated into the carbon nanotube/nafion composite film. The immobilization method is based on crosslinking of the tyrosinase layer with an electropolymerized film of poly(thionine). The good homogenization of the electron conductor CNTs in the integrated films provides the possibility of a three-dimensional electron conductive network. The biosensor was characterized by electrochemical impedance spectroscopy and electrochemical characterization. The composite electrode exhibits catalytic activity, high sensitivity, stability and is applicable over a wide range of concentrations from 180 nM to 4.33 μM with a detection limit (LOD) of 37 nM. The obtained results suggest that the developed sensor can be successfully used for the determination of phenolic endocrine disruptors over a concentration range covering their environmental levels.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000311823200025	Publication Date	2012-10-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-2654	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.885	Times cited	23	Open Access
	Notes	; The authors are highly thankful for the mobility grant (Non-Europe Postdoc Fellowship) for one of the authors (Jahangir Ahmad Rather) supported by the Belgian Federal Science Policy (Belspo) co-funded by the Marie Curie Actions from the European Commission. ;			Approved	Most recent IF: 3.885; 2013 IF: 3.906
	Call Number	UA @ admin @ c:irua:101648			Serial	5490
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	Author	Kirsanova, M.A.; Olenev, A.V.; Abakumov, A.M.; Bykov, M.A.; Shevelkov, A.V.
	Title	Extension of the clathrate family : the type X clathrate Ge₇₉P₂₉S₁₈Te₆			Type	A1 Journal article
	Year	2011	Publication	Angewandte Chemie: international edition in English	Abbreviated Journal	Angew Chem Int Edit
	Volume	50	Issue	10	Pages	2371-2374
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Now they are 10! The title compound displays a new type of crystal structure and is labeled clathrate X according to the general classification of clathrate structures. In contrast to typical clathrates, this compound has three-coordinate atoms within the framework and combines distorted 24-vertex polyhedra (see picture, green) centered around tellurium guest atoms with very irregular 10-vertex polyhedra around sulfur atoms (yellow).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000288036300033	Publication Date	2011-01-31
	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	23	Open Access
	Notes				Approved	Most recent IF: 11.994; 2011 IF: 13.455
	Call Number	UA @ lucian @ c:irua:88793			Serial	1158
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	Author	Smith, J.D.; Bladt, E.; Burkhart, J.A.C.; Winckelmans, N.; Koczkur, K.M.; Ashberry, H.M.; Bals, S.; Skrabalak, S.E.
	Title	Defect-directed growth of symmetrically branched metal nanocrystals			Type	A1 Journal article
	Year	2020	Publication	Angewandte Chemie-International Edition	Abbreviated Journal	Angew Chem Int Edit
	Volume	59	Issue	59	Pages	943-950
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Branched plasmonic nanocrystals (NCs) have attracted much attention due to electric field enhancements at their tips. Seeded growth provides routes to NCs with defined branching patterns and, in turn, near-field distributions with defined symmetries. Here, a systematic analysis was undertaken in which seeds containing different distributions of planar defects were used to grow branched NCs in order to understand how their distributions direct the branching. Characterization of the products by multimode electron tomography and analysis of the NC morphologies at different overgrowth stages indicate that the branching patterns are directed by the seed defects, with the emergence of branches from the seed faces consistent with minimizing volumetric strain energy at the expense of surface energy. These results contrast with growth of branched NCs from single-crystalline seeds and provide a new platform for the synthesis of symmetrically branched plasmonic NCs.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000498760200001	Publication Date	2019-11-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1433-7851; 0570-0833	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	16.6	Times cited	23	Open Access	OpenAccess
	Notes	; The authors thank Samantha Harvey for her initial observations of branched structures, Alexander Chen for his help with SAED, the staff of the Nanoscale Characterization Facility (Dr. Yi Yi), Electron Microscopy Center (Dr. David Morgan and Dr. Barry Stein), and Molecular Structure Center at Indiana University. J.S. recognizes a fellowship provided by the Indiana Space Grant Consortium. E.B. acknowledges a post-doctoral grant from the Research Foundation Flanders (FWO, Belgium). This project has received funding to S.E.S. from the U.S. National Science Foundation (award numbers: 1602476 and 1904499) and Research Corporation for Scientific Advancement (2017 Frontiers in Research Excellence and Discovery Award) as well as to S.B. from the European Union's Horizon 2020 research and innovation program under grant agreement No 731019 (EUSMI) and No 815128 (REALNANO). ; sygma			Approved	Most recent IF: 16.6; 2020 IF: 11.994
	Call Number	UA @ admin @ c:irua:165124			Serial	6293
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	Author	Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C.
	Title	Interactions of plasma species on nickel catalysts : a reactive molecular dynamics study on the influence of temperature and surface structure			Type	A1 Journal article
	Year	2014	Publication	Applied catalysis : B : environmental	Abbreviated Journal	Appl Catal B-Environ
	Volume	154	Issue		Pages	1-8
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Methane reforming by plasma catalysis is a complex process that is far from understood. It requires a multidisciplinary approach which ideally takes into account all effects from the plasma on the catalyst, and vice versa. In this contribution, we focus on the interactions of CHx (x = {1,2,3}) radicals that are created in the plasma with several nickel catalyst surfaces. To this end, we perform reactive molecular dynamics simulations, based on the ReaxFF potential, in a wide temperature range of 4001600 K. First, we focus on the H2 formation as a function of temperature and surface structure. We observe that substantial H2 formation is obtained at 1400 K and above, while the role of the surface structure seems limited. Indeed, in the initial stage, the type of nickel surface influences the CH bond breaking efficiency of adsorbed radicals; however, the continuous carbon diffusion into the surface gradually diminishes the surface crystallinity and therefore reduces the effect of surface structure on the H2 formation probability. Furthermore, we have also investigated to what extent the species adsorbed on the catalyst surface can participate in surface reactions more in general, for the various surface structures and as a function of temperature. These results are part of the ongoing research on the methane reforming by plasma catalysis, a highly interesting yet complex alternative to conventional reforming processes.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000335098800001	Publication Date	2014-02-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0926-3373;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.446	Times cited	23	Open Access
	Notes				Approved	Most recent IF: 9.446; 2014 IF: 7.435
	Call Number	UA @ lucian @ c:irua:114607			Serial	1686
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	Author	Saniz, R.; Dixit, H.; Lamoen, D.; Partoens, B.
	Title	Quasiparticle energies and uniaxial pressure effects on the properties of SnO₂			Type	A1 Journal article
	Year	2010	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	97	Issue		Pages	261901-261901,3
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	We calculate the quasiparticle energy spectrum of SnO2 within the GW approximation, properly taking into account the contribution of core levels to the energy corrections. The calculated fundamental gap is of 3.85 eV. We propose that the difference with respect to the experimental optical gap (3.6 eV) is due to excitonic effects in the latter. We further consider the effect applied on uniaxial pressure along the c-axis. Compared to GW, the effect of pressure on the quasiparticle energies and band gap is underestimated by the local-density approximation. The quasiparticle effective masses, however, appear to be well described by the latter.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000285768100015	Publication Date	2010-12-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	23	Open Access
	Notes	Iwt; Fwo; Bof-Noi			Approved	Most recent IF: 3.411; 2010 IF: 3.841
	Call Number	UA @ lucian @ c:irua:85759			Serial	2803
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	Author	Van Dael, M.; Van Passel, S.; Pelkmans, L.; Guisson, R.; Swinnen, G.; Schreurs, E.
	Title	Determining potential locations for biomass valorization using a macro screening approach			Type	A1 Journal article
	Year	2012	Publication	Biomass & Bioenergy	Abbreviated Journal	Biomass Bioenerg
	Volume	45	Issue		Pages	175-186
	Keywords	A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
	Abstract	European policy states that by 2020 at least 20% of final energy consumption should come from renewable energy sources. Biomass as a renewable energy source cannot be disregarded in order to attain this target. In this study a macro screening approach is developed to determine potential locations for biomass valorization in a specified region. The approach consists of five steps: (1) criteria determination, (2) data gathering, (3) weight assignment, (4) final score, (5) spatial representation. The resulting outcome provides a first well balanced scan of the possibilities for energy production using regional biomass. This way policy makers and investors can be supported and motivated to study the possibilities of building energy production plants at specific locations in more detail, which can be described as a 'micro-screening'. In our case study the approach is applied to determine the potentially interesting locations to establish a biomass project. The region has been limited to the forty-four communities in the province of Limburg (Belgium). The macro screening approach has shown to be very effective since the amount of interesting locations has been reduced drastically. (c) 2012 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000308384500019	Publication Date	2012-06-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0961-9534	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.219	Times cited	23	Open Access
	Notes	; The authors gratefully acknowledge the financial support from INTERREG and the province of Limburg. Special thanks to our colleague Thomas Voets for his effort in making the GIS maps. Moreover, the authors would like to thank the two anonymous reviewers for their valuable comments. ;			Approved	Most recent IF: 3.219; 2012 IF: 2.975
	Call Number	UA @ admin @ c:irua:127554			Serial	6178
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	Author	Li, Y.; Zhang, X.B.; Tao, X.Y.; Xu, J.M.; Chen, F.; Shen, L.H.; Yang, X.F.; Liu, F.; Van Tendeloo, G.; Geise, H.J.
	Title	Single phase MgMoO₄ as catalyst for the synthesis of bundled multi-wall carbon nanotubes by CVD			Type	L1 Letter to the editor
	Year	2005	Publication	Carbon	Abbreviated Journal	Carbon
	Volume	43	Issue	6	Pages	1325-1328
	Keywords	L1 Letter to the editor; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000228676400026	Publication Date	2005-03-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0008-6223;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.337	Times cited	23	Open Access
	Notes	Iap V-1			Approved	Most recent IF: 6.337; 2005 IF: 3.419
	Call Number	UA @ lucian @ c:irua:59055			Serial	3026
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	Author	Abakumov, A.M.; Erni, R.; Tsirlin, A.A.; Rossell, M.D.; Batuk, D.; Nénert, G.; Van Tendeloo, G.
	Title	Frustrated octahedral tilting distortion in the incommensurately modulated Li_3xNd_2/3-xTiO₃ perovskites			Type	A1 Journal article
	Year	2013	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	25	Issue	13	Pages	2670-2683
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Perovskite-structured titanates with layered A-site ordering form remarkably complex superstructures. Using transmission electron microscopy, synchrotron X-ray and neutron powder diffraction, and ab initio structure relaxation, we present the structural solution of the incommensurately modulated Li3xNd2/3xTiO3 perovskites (x = 0.05, superspace group Pmmm(α1,1/2,0)000(1/2,β2 0)000, a = 3.831048(5) Å, b = 3.827977(4) Å, c = 7.724356(8) Å, q1 = 0.45131(8)a* + 1/2b, q2 = 1/2a + 0.41923(4)b*). In contrast to earlier conjectures on the nanoscale compositional phase separation in these materials, all peculiarities of the superstructure can be understood in terms of displacive modulations related to an intricate octahedral tilting pattern. It involves fragmenting the pattern of the out-of-phase tilted TiO6 octahedra around the a- and b-axes into antiphase domains, superimposed on the pattern of domains with either pronounced or suppressed in-phase tilt component around the c-axis. The octahedral tilting competes with the second order JahnTeller distortion of the TiO6 octahedra. This competition is considered as the primary driving force for the modulated structure. The A cations are suspected to play a role in this modulation affecting it mainly through the tolerance factor and the size variance. The reported crystal structure calls for a revision of the structure models proposed for the family of layered A-site ordered perovskites exhibiting a similar type of modulated structure.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000321809700015	Publication Date	2013-06-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0897-4756;1520-5002;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.466	Times cited	23	Open Access
	Notes	Countatoms			Approved	Most recent IF: 9.466; 2013 IF: 8.535
	Call Number	UA @ lucian @ c:irua:109216			Serial	1292
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	Author	Pimenta, V.; Sathiya, M.; Batuk, D.; Abakumov, A.M.; Giaume, D.; Cassaignon, S.; Larcher, D.; Tarascon, J.-M.
	Title	Synthesis of Li-Rich NMC : a comprehensive study			Type	A1 Journal article
	Year	2017	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	29	Issue	23	Pages	9923-9936
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	<script type='text/javascript'>document.write(unpmarked('Li-rich NMC are considered nowadays as one of the most promising candidates for high energy density cathodes. One significant challenge is nested in adjusting their synthesis conditions to reach optimum electrochemical performance, but no consensus has been reached yet on the ideal synthesis protocol. Herein, we revisited the elaboration of Li-rich NMC electrodes by focusing on the science involved through each synthesis steps using carbonate Ni0.1625Mn0.675Co0.1625CO3 precursor coprecipitation combined with solid state synthesis. We demonstrated the effect of precursors concentration on the kinetics of the precipitation reaction and provided clues to obtain spherically agglomerated NMC carbonates of different sizes. Moreover, we highlighted the strong impact of the Li2CO3/NMC carbonate ratio on the morphology and particles size of Li-rich NMC and subsequently on their electrochemical performance. Ratio of 1.35 was found to reproducibly give the best performance with namely a first discharge capacity of 269 mAh g(-1) and capacity retention of 89.6% after 100 cycles. We hope that our results, which reveal how particle size, morphology, and phase composition affect the materials electrochemical performance, will help in reconciling literature data while providing valuable fundamental information for up scaling approaches.'));
	Address
	Corporate Author				Thesis
	Publisher	American Chemical Society	Place of Publication	Washington, D.C	Editor
	Language		Wos	000418206600010	Publication Date	2017-11-08
	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	23	Open Access	Not_Open_Access
	Notes	; The authors acknowledge the French Research Network on Electrochemical Energy Storage (RS2E). V.P and J.-M.T. acknowledges funding from the European Research Council (ERC) (FP/2014)/ERC Grant-Project 670116-ARPEMA. The authors are thankful to Dr. G. Rousse for the help on Rietveld refinements. ;			Approved	Most recent IF: 9.466
	Call Number	UA @ lucian @ c:irua:148530			Serial	4899
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	Author	Adjizian, J.J.; De Marco, P.; Suarez-Martinez, I.; El Mel, A.A.; Snyders, R.; Gengler, R.Y.N.; Rudolf, P.; Ke, X.; Van Tendeloo, G.; Bittencourt, C.; Ewels, C.P.;
	Title	Platinum and palladium on carbon nanotubes : experimental and theoretical studies			Type	A1 Journal article
	Year	2013	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	571	Issue		Pages	44-48
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Pristine and oxygen plasma functionalised carbon nanotubes (CNTs) were studied after the evaporation of Pt and Pd atoms. High resolution transmission electron microscopy shows the formation of metal nanoparticles at the CNT surface. Oxygen functional groups grafted by the plasma functionalization act as nucleation sites for metal nanoparticles. Analysis of the C1s core level spectra reveals that there is no covalent bonding between the Pt or Pd atoms and the CNT surface. Unlike other transition metals such as titanium and copper, neither Pd nor Pt show strong oxygen interaction or surface oxygen scavenging behaviour.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000319109900007	Publication Date	2013-04-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.815	Times cited	23	Open Access
	Notes	Countatoms; Cost			Approved	Most recent IF: 1.815; 2013 IF: 1.991
	Call Number	UA @ lucian @ c:irua:108706			Serial	2650
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	Author	Cleiren, E.; Heijkers, S.; Ramakers, M.; Bogaerts, A.
	Title	Dry Reforming of Methane in a Gliding Arc Plasmatron: Towards a Better Understanding of the Plasma Chemistry			Type	A1 Journal article
	Year	2017	Publication	Chemsuschem	Abbreviated Journal	Chemsuschem
	Volume	10	Issue	20	Pages	4025-4036
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Dry reforming of methane (DRM) in a gliding arc plasmatron is studied for different CH4 fractions in the mixture. The CO2 and CH4 conversions reach their highest values of approximately 18 and 10%, respectively, at 25% CH4 in the gas mixture, corresponding to an overall energy cost of 10 kJ L@1 (or 2.5 eV per molecule) and an energy efficiency of 66%. CO and H2 are the major products, with the formation of smaller fractions of C2Hx (x=2, 4, or 6) compounds and H2O. A chemical kinetics model is used to investigate the underlying chemical processes. The calculated CO2 and CH4 conversion and the energy efficiency are in good agreement with the experimental data. The model calculations reveal that the reaction of CO2 (mainly at vibrationally excited levels) with H radicals is mainly responsible for the CO2 conversion, especially at higher CH4 fractions in the mixture, which explains why the CO2 conversion increases with increasing CH4 fraction. The main process responsible for CH4 conversion is the reaction with OH radicals. The excellent energy efficiency can be explained by the non-equilibrium character of the plasma, in which the electrons mainly activate the gas molecules, and by the important role of the vibrational kinetics of CO2. The results demonstrate that a gliding arc plasmatron is very promising for DRM.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000413565100012	Publication Date	2017-10-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1864-5631	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.226	Times cited	23	Open Access	OpenAccess
	Notes	Fonds Wetenschappelijk Onderzoek, G.0383.16N ; Federaal Wetenschapsbeleid;			Approved	Most recent IF: 7.226
	Call Number	PLASMANT @ plasmant @c:irua:146665			Serial	4759
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	Author	Drijkoningen, S.; Pobedinskas, P.; Korneychuk, S.; Momot, A.; Balasubramaniam, Y.; Van Bael, M.K.; Turner, S.; Verbeeck, J.; Nesladekt, M.; Haenen, K.
	Title	On the Origin of Diamond Plates Deposited at Low Temperature			Type	A1 Journal article
	Year	2017	Publication	Crystal growth & design	Abbreviated Journal	Cryst Growth Des
	Volume	17	Issue	8	Pages	4306-4314
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The crucial requirement for diamond growth at low temperatures, enabling a wide range of new applications, is a high plasma density at a low gas pressure, which leads to a low thermal load onto sensitive substrate materials. While these conditions are not within reach for resonance cavity plasma systems, linear antenna microwave delivery systems allow the deposition of high quality diamond films at temperatures around 400 degrees C and at pressures below 1 mbar. In this work the codeposition of high quality plates and octahedral diamond grains in nanocrystalline films is reported. In contrast to previous reports claiming the need for high temperatures (T >= 850 degrees C), low temperatures (320 degrees C <= T <= 410 degrees C) were sufficient to deposit diamond plate structures. Cross-sectional high resolution transmission electron microscopy studies show that these plates are faulty cubic diamond terminated by large {111} surface facets with very little sp(2) bonded carbon in the grain boundaries. Raman and electron energy loss spectroscopy studies confirm a high diamond quality, above 93% sp(3) carbon content. Three potential mechanisms, that can account for the initial development of the observed plates rich with stacking faults, and are based on the presence of impurities, are proposed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000407089600031	Publication Date	2017-06-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1528-7483	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.055	Times cited	23	Open Access	Not_Open_Access
	Notes	; The Research Foundation – Flanders (FWO) is gratefully acknowledged for financial support in the form of the Postdoctoral Fellowships of P.P. and S.T., contract G.0044.13N “Charge ordering” (S.K., J.V.), the Methusalem “Nano” network, and the Hercules-linear antenna and Raman equipment. ;			Approved	Most recent IF: 4.055
	Call Number	UA @ lucian @ c:irua:145735UA @ admin @ c:irua:145735			Serial	4746
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	Author	Kaminsky, F.V.; Ryabchikov, I.D.; McCammon, C.A.; Longo, M.; Abakumov, A.M.; Turner, S.; Heidari, H.
	Title	Oxidation potential in the Earth's lower mantle as recorded by ferropericlase inclusions in diamond			Type	A1 Journal article
	Year	2015	Publication	Earth and planetary science letters	Abbreviated Journal	Earth Planet Sc Lett
	Volume	417	Issue	417	Pages	49-56
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Ferropericlase (fPer) inclusions from kimberlitic lower-mantle diamonds recovered in the Juina area, Mato Grosso State, Brazil were analyzed with transmission electron microscopy, electron energy-loss spectroscopy and the flank method. The presence of exsolved non-stoichiometric Fe3+-enriched clusters, varying in size from 1-2 nm to 10-15 nm and comprising similar to 3.64 vol.% of fPer was established. The oxidation conditions necessary for fPer formation within the uppermost lower mantle (P = 25 GPa, T = 1960 K) vary over a wide range: Delta log f(o2) (IW) from 1.58 to 7.76 (Delta = 6.2), reaching the fayalite-magnetite-quartz (FMQ) oxygen buffer position. This agrees with the identification of carbonates and free silica among inclusions within lower-mantle Juina diamonds. On the other hand, at the base of the lower mantle Delta log f(o2) values may lie at and below the iron-wustite (IW) oxygen buffer. Hence, the variations of Delta log f(o2) values within the entire sequence of the lower mantle may reach ten logarithmic units, varying from the IW buffer to the FMQ buffer values. The similarity between lower- and upper-mantle redox conditions supports whole mantle convection, as already suggested on the basis of nitrogen and carbon isotopic compositions in lower- and upper-mantle diamonds. The mechanisms responsible for redox differentiation in the lower mantle may include subduction of oxidized crustal material, mechanical separation of metallic phase(s) and silicate-oxide mineral assemblages enriched in ferric iron, as well as transfer of fused silicate-oxide material presumably also enriched in ferric iron through the mantle. (C) 2015 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000351799400006	Publication Date	2015-03-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0012-821X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.409	Times cited	23	Open Access
	Notes				Approved	Most recent IF: 4.409; 2015 IF: 4.734
	Call Number	c:irua:125451			Serial	2539
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	Author	da Silva, A.L.C.; Candido, L.; Teixeira Rabelo, J.N.; Hai, G.-Q.; Peeters, F.M.
	Title	Anharmonic effects on thermodynamic properties of a graphene monolayer			Type	A1 Journal article
	Year	2014	Publication	Europhysics letters	Abbreviated Journal	Epl-Europhys Lett
	Volume	107	Issue	5	Pages	56004
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We extend the unsymmetrized self-consistent-field method (USF) for anharmonic crystals to layered non-Bravais crystals to investigate structural, dynamical and thermodynamic properties of a free-standing graphene monolayer. In this theory, the main anharmonicity of the crystal lattice has been included and the quantum corrections are taken into account in an h-expansion for the one-particle density matrix. The obtained result for the thermal expansion coefficient (TEC) of graphene shows a strong temperature dependence and agrees with experimental results by Bao et al. (Nat. Nanotechnol., 4 (2009) 562). The obtained value of TEC at room temperature (300 K) is -6.4 x 10(- 6) K- 1 and it becomes positive for T > T-alpha = 358K. We find that quantum effects are significant for T < 1000 K. The interatomic distance, effective amplitudes of the graphene lattice vibrations, adiabatic and isothermal bulk moduli, isobaric and isochoric heat capacities are also calculated and their temperature dependences are determined. Copyright (C) EPLA, 2014
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Paris	Editor
	Language		Wos	000341559900020	Publication Date	2014-09-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0295-5075;1286-4854;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.957	Times cited	23	Open Access
	Notes	; This research was supported by the Brazilian agencies CNPq, FAPEG and FAPESP, the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ;			Approved	Most recent IF: 1.957; 2014 IF: 2.095
	Call Number	UA @ lucian @ c:irua:119289			Serial	118
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	Author	Abakumov, A.M.; Hadermann, J.; Batuk, M.; d' Hondt, H.; Tyablikov, O.A.; Rozova, M.G.; Pokholok, K.V.; Filimonov, D.S.; Sheptyakov, D.V.; Tsirlin, A.A.; Niermann, D.; Hemberger, J.; Van Tendeloo, G.; Antipov, E.V.
	Title	Slicing the Perovskite structure with crystallographic shear planes : the A_nB_nO_3n-2 homologous series			Type	A1 Journal article
	Year	2010	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	49	Issue	20	Pages	9508-9516
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A new AnBnO3n−2 homologous series of anion-deficient perovskites has been evidenced by preparation of the members with n = 5 (Pb2.9Ba2.1Fe4TiO13) and n = 6 (Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16) in a single phase form. The crystal structures of these compounds were determined using a combination of transmission electron microscopy and X-ray and neutron powder diffraction (S.G. Ammm, a = 5.74313(7), b = 3.98402(4), c = 26.8378(4) Å, RI = 0.035, RP = 0.042 for Pb2.9Ba2.1Fe4TiO13 and S.G. Imma, a = 5.7199(1), b = 3.97066(7), c = 32.5245(8) Å, RI = 0.032, RP = 0.037 for Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16). The crystal structures of the AnBnO3n−2 homologues are formed by slicing the perovskite structure with (01)p crystallographic shear (CS) planes. The shear planes remove a layer of oxygen atoms and displace the perovskite blocks with respect to each other by the 1/2[110]p vector. The CS planes introduce edge-sharing connections of the transition metal−oxygen polyhedra at the interface between the perovskite blocks. This results in intrinsically frustrated magnetic couplings between the perovskite blocks due to a competition of the exchange interactions between the edge- and the corner-sharing metal−oxygen polyhedra. Despite the magnetic frustration, neutron powder diffraction and Mssbauer spectroscopy reveal that Pb2.9Ba2.1Fe4TiO13 and Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16 are antiferromagnetically ordered below TN = 407 and 343 K, respectively. The Pb2.9Ba2.1Fe4TiO13 and Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16 compounds are in a paraelectric state in the 5−300 K temperature range.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000282783400051	Publication Date	2010-09-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0020-1669;1520-510X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.857	Times cited	23	Open Access
	Notes	Esteem 026019; Fwo			Approved	Most recent IF: 4.857; 2010 IF: 4.326
	Call Number	UA @ lucian @ c:irua:84963			Serial	3041
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	Author	Bogaerts, A.
	Title	Computer simulations of argon-hydrogen Grimm-type glow discharges			Type	A1 Journal article
	Year	2008	Publication	Journal of analytical atomic spectrometry	Abbreviated Journal	J Anal Atom Spectrom
	Volume	23	Issue		Pages	1476-1486
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Computer simulations have been performed to describe the effect of small admixtures of hydrogen to an argon glow discharge in the Grimm-type configuration. The two-dimensional density profiles of the various plasma species (i.e., electrons, Ar+, ArH+, H+, H2+ and H3+ ions, H atoms and H2 molecules, Ar metastable atoms and sputtered Cu atoms) are presented for 1% H2 added to the argon glow discharge, and the effect of different H2 additions (varying between 0.1 and 10%) on the species densities, the hydrogen dissociation degree, and the sputtering process, are investigated. Finally, the relative contributions of various production and loss processes for the different plasma species are calculated.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000260309700002	Publication Date	2008-10-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0267-9477;1364-5544;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.379	Times cited	23	Open Access
	Notes				Approved	Most recent IF: 3.379; 2008 IF: 4.028
	Call Number	UA @ lucian @ c:irua:70950			Serial	468
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	Author	Bogaerts, A.; Gijbels, R.
	Title	Hybrid Monte Carlo-fluid model for a microsecond pulsed glow discharge			Type	A1 Journal article
	Year	2000	Publication	Journal of analytical atomic spectrometry	Abbreviated Journal	J Anal Atom Spectrom
	Volume	15	Issue		Pages	895-905
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000088467600001	Publication Date	2002-07-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0267-9477;1364-5544;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.379	Times cited	23	Open Access
	Notes				Approved	Most recent IF: 3.379; 2000 IF: 3.488
	Call Number	UA @ lucian @ c:irua:34070			Serial	1524
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	Author	Bogaerts, A.
	Title	Plasma diagnostics and numerical simulations: insight into the heart of analytical glow discharges			Type	A1 Journal article
	Year	2007	Publication	Journal of analytical atomic spectrometry	Abbreviated Journal	J Anal Atom Spectrom
	Volume	22	Issue	1	Pages	13-40
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000242978500001	Publication Date	2006-11-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0267-9477;1364-5544;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.379	Times cited	23	Open Access
	Notes				Approved	Most recent IF: 3.379; 2007 IF: 3.269
	Call Number	UA @ lucian @ c:irua:61139			Serial	2633
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	Author	Vincze, L.; Wei, F.; Proost, K.; Vekemans, B.; Janssens, K.; He, Y.; Yan, Y.; Falkenberg, G.
	Title	Suitability of polycapillary optics for focusing of monochromatic synchrotron radiation as used in trace level micro-XANES measurements			Type	A1 Journal article
	Year	2002	Publication	Journal of analytical atomic spectrometry	Abbreviated Journal	J Anal Atom Spectrom
	Volume	17	Issue		Pages	177-182
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000174380800002	Publication Date	2002-07-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0267-9477	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.379	Times cited	23	Open Access
	Notes				Approved	Most recent IF: 3.379; 2002 IF: 4.250
	Call Number	UA @ admin @ c:irua:36669			Serial	5855
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	Author	Kempenaers, L.; Bings, N.H.; Jeffries, T.E.; Vekemans, B.; Janssens, K.
	Title	The use of LA-ICP-MS for the characterization of the micro-heterogeneity of heavy metals in BCR CRM 680			Type	A1 Journal article
	Year	2001	Publication	Journal of analytical atomic spectrometry	Abbreviated Journal	J Anal Atom Spectrom
	Volume	16	Issue	9	Pages	1006-1011
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000171287600019	Publication Date	2002-07-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0267-9477	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.379	Times cited	23	Open Access
	Notes				Approved	Most recent IF: 3.379; 2001 IF: 3.305
	Call Number	UA @ admin @ c:irua:34091			Serial	5893
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	Author	Geenen, F.A.; van Stiphout, K.; Nanakoudis, A.; Bals, S.; Vantomme, A.; Jordan-Sweet, J.; Lavoie, C.; Detavernier, C.
	Title	Controlling the formation and stability of ultra-thin nickel silicides : an alloying strategy for preventing agglomeration			Type	A1 Journal article
	Year	2018	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	123	Issue	123	Pages	075303
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The electrical contact of the source and drain regions in state-of-the-art CMOS transistors is nowadays facilitated through NiSi, which is often alloyed with Pt in order to avoid morphological agglomeration of the silicide film. However, the solid-state reaction between as-deposited Ni and the Si substrate exhibits a peculiar change for as-deposited Ni films thinner than a critical thickness of t(c) = 5 nm. Whereas thicker films form polycrystalline NiSi upon annealing above 450 degrees C, thinner films form epitaxial NiSi2 films that exhibit a high resistance toward agglomeration. For industrial applications, it is therefore of utmost importance to assess the critical thickness with high certainty and find novel methodologies to either increase or decrease its value, depending on the aimed silicide formation. This paper investigates Ni films between 0 and 15 nm initial thickness by use of “thickness gradients,” which provide semi-continuous information on silicide formation and stability as a function of as-deposited layer thickness. The alloying of these Ni layers with 10% Al, Co, Ge, Pd, or Pt renders a significant change in the phase sequence as a function of thickness and dependent on the alloying element. The addition of these ternary impurities therefore changes the critical thickness t(c). The results are discussed in the framework of classical nucleation theory. Published by AIP Publishing.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000425807400018	Publication Date	2018-02-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979; 1089-7550	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	23	Open Access	OpenAccess
	Notes	; The authors acknowledge the FWO Vlaanderen, the Hercules Foundation, and BOF-UGent (GOA 01G01513) for providing financial support for this work. This research used resources of the National Synchrotron Light Source, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Brookhaven National Laboratory under Contract No. DE-AC02-98CH10886. ;			Approved	Most recent IF: 2.068
	Call Number	UA @ lucian @ c:irua:149912UA @ admin @ c:irua:149912			Serial	4929
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