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	Author	Chen, B.; Sahin, H.; Suslu, A.; Ding, L.; Bertoni, M.I.; Peeters, F.M.; Tongay, S.
	Title	Environmental changes in MoTe₂ excitonic dynamics by defects-activated molecular interaction			Type	A1 Journal article
	Year	2015	Publication	ACS nano	Abbreviated Journal	Acs Nano
	Volume	9	Issue	9	Pages	5326-5332
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	Monolayers of group VI transition metal dichalcogenides possess direct gaps in the visible spectrum with the exception of MoTe2, where its gap is suitably located in the infrared region but its stability is of particular interest, as tellurium compounds are acutely sensitive to oxygen exposure. Here, our environmental (time-dependent) measurements reveal two distinct effects on MoTe2 monolayers: For weakly luminescent monolayers, photoluminescence signal and optical contrast disappear, as if they are decomposed, but yet remain intact as evidenced by AFM and Raman measurements. In contrast, strongly luminescent monolayers retain their optical contrast for a prolonged amount of time, while their PL peak blue-shifts and PL intensity saturates to slightly lower values. Our X-ray photoelectron spectroscopy measurements and DFT calculations suggest that the presence of defects and functionalization of these defect sites with O-2 molecules strongly dictate their material properties and aging response by changing the excitonic dynamics due to deep or shallow states that are created within the optical band gap. Presented results not only shed light on environmental effects on fundamental material properties and excitonic dynamics of MoTe2 monolayers but also highlight striking material transformation for metastable 20 systems such as WTe2, silicone, and phosphorene.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000355383000068	Publication Date	2015-04-14
	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	150	Open Access
	Notes	; This work was supported by the Arizona State University seeding program. The authors thank Hui Cai and Kedi Wu for useful discussions. We gratefully acknowledge the use of facilities at the LeRoy Eyring Center for Solid State Science at Arizona State University. This work was supported by the Flemish Science Foundation (FWO-VI) and the Methusalem Foundation of the Flemish government. H.S. is supported by a FWO Pegasus Long Marie Curie Fellowship. ;			Approved	Most recent IF: 13.942; 2015 IF: 12.881
	Call Number	c:irua:126441			Serial	1068
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	Author	Alfeld, M.; Laurenze-Landsberg, C.; Denker, A.; Janssens, K.; Noble, P.
	Title	Neutron activation autoradiography and scanning macro-XRF of Rembrandt van Rijn's Susanna and the Elders (Gemaldegalerie Berlin) : a comparison of two methods for imaging of historical paintings with elemental contrast			Type	A1 Journal article
	Year	2015	Publication	Applied physics A : materials science & processing	Abbreviated Journal	Appl Phys A-Mater
	Volume	119	Issue	3	Pages	795-805
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Imaging methods with elemental contrast are of great value for the investigation of historical paintings, as they allow for study of sub-surface layers that provide insight into a painting's creation process. Two of the most important methods are neutron activation autoradiography (NAAR) and scanning macro-XRF (MA-XRF). Given the differences between these methods in the fundamental physical phenomena exploited, a theoretical comparison of their capabilities is difficult and until now a critical comparison of their use on the same painting is missing. In this paper, we present a study of Rembrandt van Rijn's painting Susanna and the Elders from the Gemaldegalerie in Berlin employing both techniques. The painting features a considerable number of overpainted features and a wide range of pigments with different elemental tracers, including earth pigments (Mn/Fe), Azurite (Cu), lead white (Pb), vermilion (Hg) and smalt (Co, As). MA-XRF can detect all elements above Si (Z = 14), suffers from few spectral overlaps and can be performed in a few tens of hours in situ, i.e. in a museum. NAAR requires the stay of the painting at a research facility for several weeks, and inter-element interferences can be difficult to resolve. Also, only a limited number of elements contribute to the acquired autoradiographs, most notably Mn, Cu, As, Co, Hg and P. However, NAAR provides a higher lateral resolution and is less hindered by absorption in covering layers, which makes it the only method capable of visualizing P in lower paint layers.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000354189200001	Publication Date	2015-04-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0947-8396	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.455	Times cited	11	Open Access
	Notes	; This research was supported by the Interuniversity Attraction Poles Programme-Belgian Science Policy (IUAP VI/16). The text also presents the results of GOA “XANES meets ELNES” (Research Fund University of Antwerp, Belgium) and from FWO (Brussels, Belgium) Project Nos. G.0704.08 and G.01769.09. M. Alfeld received from 2009 to 2013 a PhD fellowship of the Research Foundation-Flanders (FWO). ;			Approved	Most recent IF: 1.455; 2015 IF: 1.704
	Call Number	UA @ admin @ c:irua:126034			Serial	5745
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	Author	Pavlović, S.; Peeters, F.M.
	Title	Electronic properties of triangular and hexagonal MoS₂ quantum dots			Type	A1 Journal article
	Year	2015	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	91	Issue	91	Pages	155410
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using the tight-binding approach, we calculate the electronic structure of triangular and hexagonal MoS2 quantum dots. Due to the orbital asymmetry we show that it is possible to form quantum dots with the same shape but having different electronic properties. The electronic states of triangular and hexagonal quantum dots are explored, as well as the local and total density of states and the convergence towards the bulk spectrum with dot size is investigated. Our calculations show that: (1) edge states appear in the band gap, (2) that there are a larger number of electronic states in the conduction band as compared to the valence band, and (3) the relative number of edge states decreases with increasing dot size.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000352591200005	Publication Date	2015-04-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121; 1550-235x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	44	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-VI) and the Methusalem Foundation of the Flemish government. Stefan Pavlovic is supported by JoinEU-SEE IV, Erasmus Mundus Action 2 programme. We thank J. M. Pereira for interesting discussions. ;			Approved	Most recent IF: 3.836; 2015 IF: 3.736
	Call Number	UA @ lucian @ c:irua:132516			Serial	4170
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	Author	Warwick, M.E.A.; Kaunisto, K.; Barreca, D.; Carraro, G.; Gasparotto, A.; Maccato, C.; Bontempi, E.; Sada, C.; Ruoko, T.P.; Turner, S.; Van Tendeloo, G.;
	Title	Vapor phase processing of \alpha-Fe₂O₃ photoelectrodes for water splitting : an insight into the structure/property interplay			Type	A1 Journal article
	Year	2015	Publication	ACS applied materials and interfaces	Abbreviated Journal	Acs Appl Mater Inter
	Volume	7	Issue	7	Pages	8667-8676
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Harvesting radiant energy to trigger water photoelectrolysis and produce clean hydrogen is receiving increasing attention in the search of alternative energy resources. In this regard, hematite (alpha-Fe2O3) nanostructures with controlled nano-organization have been fabricated and investigated for use as anodes in photoelectrochemical (PEC) cells. The target systems have been grown on conductive substrates by plasma enhanced-chemical vapor deposition (PE-CVD) and subjected to eventual ex situ annealing in air to further tailor their structure and properties. A detailed multitechnique approach has enabled to elucidate between system characteristics and the generated photocurrent. The present alpha-Fe2O3 systems are characterized by a high purity and hierarchical morphologies consisting of nanopyramids/organized dendrites, offering a high contact area with the electrolyte. PEC data reveal a dramatic response enhancement upon thermal treatment, related to a more efficient electron transfer. The reasons underlying such a phenomenon are elucidated and discussed by transient absorption spectroscopy (TAS) studies of photogenerated charge carrier kinetics, investigated on different time scales for the first time on PE-CVD Fe2O3 nanostructures.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000353931300037	Publication Date	2015-04-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1944-8244;1944-8252;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.504	Times cited	51	Open Access
	Notes	246791 Countatoms; Fwo			Approved	Most recent IF: 7.504; 2015 IF: 6.723
	Call Number	c:irua:126059			Serial	3836
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	Author	Kuopanportti, P.; Orlova, N.V.; Milošević, M.V.
	Title	Ground-state multiquantum vortices in rotating two-species superfluids			Type	A1 Journal article
	Year	2015	Publication	Physical review : A : atomic, molecular and optical physics	Abbreviated Journal	Phys Rev A
	Volume	91	Issue	91	Pages	043605
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We show numerically that a rotating, harmonically trapped mixture of two Bose-Einstein-condensed superfluids cancontrary to its single-species counterpartcontain a multiply quantized vortex in the ground state of the system. This giant vortex can occur without any accompanying single-quantum vortices, may either be coreless or have an empty core, and can be realized in a Rb87−K41 Bose-Einstein condensate. Our results not only provide a rare example of a stable, solitary multiquantum vortex but also reveal exotic physics stemming from the coexistence of multiple, compositionally distinct condensates in one system.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000352255200005	Publication Date	2015-04-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1050-2947;1094-1622;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.925	Times cited	25	Open Access
	Notes	; This work was supported by the Finnish Cultural Foundation, the Research Foundation – Flanders (FWO), and the Magnus Ehrnrooth Foundation. We thank E. Ruokokoski and T. P. Simula for valuable comments and discussions. ;			Approved	Most recent IF: 2.925; 2015 IF: 2.808
	Call Number	c:irua:124906			Serial	1388
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	Author	Kang, J.; Sahin, H.; Peeters, F.M.
	Title	Tuning carrier confinement in the MoS₂/WS₂ lateral heterostructure			Type	A1 Journal article
	Year	2015	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	119	Issue	119	Pages	9580-9586
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	To determine and control the spatial confinement of charge carriers is of importance for nanoscale optoelectronic device applications. Using first-principles calculations, we investigate the tunability of band alignment and Charge localization in lateral and combined lateral vertical heterostructures of MoS2 and WS2. First, we Show that a type-II to type-I band alignment transition takes place when tensile strain is applied on the WS2 region. This band alignment transition is a result of the different response of the band edge states with strain and is caused by their different wave function characters. Then we show that the presence of the grain boundary introduces localized in-gap states. The boundary at the armchair interface significantly modifies the charge distribution of the valence band maximum (VBM) state, whereas in a heterostructure with tilt grain domains both conducation band maximum (CBM) and VBM are found to be localized around the grain boundary. We also found that the thickness of the constituents in a lateral heterostructure also determines how the electrons and holes are confined. Creating combined lateral vertical heterostructures of MOS2/WS2 provides another way cif tuning the charge confinement. These results provide possible ways to tune the carrier confinement in MoS2/WS2 heterostructures, which are interesting for its practical: applications in the future.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000353930700066	Publication Date	2015-04-07
	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	73	Open Access
	Notes	; This work was supported by the Methusalem program of the Flemish government. H.S. is supported by a FWO Pegasus Marie Curie-long Fellowship and J.K. by a FWO Pegasus Marie Curie-short Fellowship. ;			Approved	Most recent IF: 4.536; 2015 IF: 4.772
	Call Number	c:irua:126381			Serial	3747
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	Author	Esfahani; Leenaerts, O.; Sahin, H.; Partoens, B.; Peeters, F.M.
	Title	Structural transitions in monolayer MOS₂ by lithium adsorption			Type	A1 Journal article
	Year	2015	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	119	Issue	119	Pages	10602-10609
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	Based on first-principles calculations, we study the structural stability of the H and T phases of monolayer MoS2 upon Li doping. Our calculations demonstrate that it is possible to stabilize a distorted T phase of MoS2 over the H phase through adsorption of Li atoms on the MoS2 surface. Through molecular dynamics and phonon calculations, we show that the T phase of MoS2 is dynamically unstable and undergoes considerable distortions. The type of distortion depends on the concentration of adsorbed Li atoms and changes from zigzag-like to diamond-like when increasing the Li doping. There exists a substantial energy barrier to transform the stable H phase to the distorted T phases, which is considerably reduced by increasing the concentration of Li atoms. We show that it is necessary that the Li atoms adsorb on both sides of the MoS2 monolayer to reduce the barrier sufficiently. Two processes are examined that allow for such two-sided adsorption, namely, penetration through the MoS2 layer and diffusion over the MoS2 surface. We show that while there is only a small barrier of 0.24 eV for surface diffusion, the amount of energy needed to pass through a pure MoS2 layer is of the order of similar or equal to 2 eV. However, when the MoS2 layer is covered with Li atoms the amount of energy that Li atoms should gain to penetrate the layer is drastically reduced and penetration becomes feasible.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000354912200051	Publication Date	2015-04-07
	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	96	Open Access
	Notes	; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl) and the Methusalem program of the Flemish government. H. S is supported by an FWO Pegasus-Long Marie Curie fellowship. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government department EWI. ;			Approved	Most recent IF: 4.536; 2015 IF: 4.772
	Call Number	c:irua:126409			Serial	3270
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	Author	Sheng, X.; Daems, N.; Geboes, B.; Kurttepeli, M.; Bals, S.; Breugelmans, T.; Hubin, A.; Vankelecom, I.F.J.; Pescarmona, P.P.
	Title	N-doped ordered mesoporous carbons prepared by a two-step nanocasting strategy as highly active and selective electrocatalysts for the reduction of O₂ to H₂O₂			Type	A1 Journal article
	Year	2015	Publication	Applied catalysis : B : environmental	Abbreviated Journal	Appl Catal B-Environ
	Volume	176-177	Issue	176-177	Pages	212-224
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)
	Abstract	A new, two-step nanocasting method was developed to prepare N-doped ordered mesoporous carbon (NOMC) electrocatalysts for the reduction of O2 to H2O2. Our strategy involves the sequential pyrolysis of two inexpensive and readily available N and C precursors, i.e. aniline and dihydroxynaphthalene (DHN), inside the pores of a SBA-15 hard silica template to obtain N-doped graphitic carbon materials with well-ordered pores and high surface areas (764 and 877 m2g−1). By tuning the ratio of carbon sources to silica template, it was possible to achieve an optimal filling of the pores of the SBA-15 silica and to minimise carbon species outside the pores. These NOMC materials displayed outstanding electrocatalytic activity in the oxygen reduction reaction, achieving a remarkably enhanced kinetic current density compared to state-of-the-art N-doped carbon materials (−16.7 mA cm−2 at −0.35 V vs. Ag/AgCl in a 0.1 M KOH solution as electrolyte). The NOMC electrocatalysts showed high selectivity toward the two-electron reduction of oxygen to hydrogen peroxide and excellent long-term stability.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000356549200022	Publication Date	2015-04-05
	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	111	Open Access	OpenAccess
	Notes	335078 Colouratom; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot);			Approved	Most recent IF: 9.446; 2015 IF: 7.435
	Call Number	c:irua:125370			Serial	2246
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	Author	Beames, A.; Broekx, S.; Heijungs, R.; Lookman, R.; Boonen, K.; Van Geert, Y.; Dendoncker, K.; Seuntjens, P.
	Title	Accounting for land-use efficiency and temporal variations between brownfield remediation alternatives in life-cycle assessment			Type	A1 Journal article
	Year	2015	Publication	Journal of cleaner production	Abbreviated Journal
	Volume	101	Issue		Pages	109-117
	Keywords	A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	The latest life-cycle assessment methods account for land use, due to the production, use and disposal of products and services, in terms of ecosystem damage. The process of brownfield remediation converts otherwise idle urban space into productive space. The value to ecosystems in this context is of course limited since the brownfield site remains urban. When evaluating brownfield remediation technologies, the availability of space on-site is dependent on the duration of time required by the remediation technology to reach the remediation target. Remediation technology alternatives tend to vary largely in terms of duration. Comparative life-cycle assessments of remediation technologies, to date, present the large variations between alternatives in terms of remediation duration but do not translate this into an impact or parameter. The restored subsurface zone is often defined as a functional unit, when in fact the surface area is the resource restored by the remediation service. The economic benefits of making land resources available are particularly important considerations in the context of brownfield remediation. The research proposes an innovative impact assessment approach that allows land to be considered as a finite resource. The method is applied in a comparative life-cycle assessment of two potential remediation scenarios for an idle brownfield in the Brussels region of Belgium. The results show that there is a trade-off between greenhouse gas emissions and land availability and that both are largely dependent on the efficiency of the contaminant extraction mechanism. The results also raise the question as to whether the economic valuation of land, like precious metals and fossil fuels, provides an accurate reflection of the true value of the resource. Considering land as a resource at the midpoint level is also relevant in other urban contexts where competition exists between different land-uses, where urban sprawl is detrimental to undeveloped areas and where urban intensification is a policy objective. (C) 2015 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000356988200010	Publication Date	2015-04-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0959-6526	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:127010			Serial	7412
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	Author	Batuk, M.; Buffiere, M.; Zaghi, A.E.; Lenaers, N.; Verbist, C.; Khelifi, S.; Vleugels, J.; Meuris, M.; Hadermann, J.
	Title	Effect of the burn-out step on the microstructure of the solution-processed Cu(In,Ga)Se₂ solar cells			Type	A1 Journal article
	Year	2015	Publication	Thin solid films : an international journal on the science and technology of thin and thick films	Abbreviated Journal	Thin Solid Films
	Volume	583	Issue	583	Pages	142-150
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	For the development of the photovoltaic industry cheap methods for the synthesis of Cu(In,Ga)Se-2 (CIGSe) based solar cells are required. In this work, CIGSe thin films were obtained by a solution-based method using oxygen-bearing derivatives. With the aimof improving the morphology of the printed CIGSe layers, we investigated two different annealing conditions of the precursor layer, consisting of (1) a direct selenization step (reference process), and (2) a pre-treatment thermal step prior to the selenization. We showed that the use of an Air/H2S burn-out step prior to the selenization step increases the CIGSe grain size and reduces the carbon content. However, it leads to the reduction of the solar cell efficiency from 4.5% in the reference sample down to 0.5% in the annealed sample. Detailed transmission electron microscopy analysis, including high angle annular dark field scanning transmission electron microscopy and energy dispersive X-ray mapping, was applied to characterize the microstructure of the film and to determine the relationship between microstructure and the solar cell performance. We demonstrated that the relatively low efficiency of the reference solar cells is related not only to the nanosize of the CIGSe grains and presence of the pores in the CIGSe layer, but also to the high amount of secondary phases, namely, In/Ga oxide (or hydroxide) amorphous matter, residuals of organicmatter (carbon), and copper sulfide that is formed at the CIGSe/MoSe2 interface. The annealing in H2S during the burn-out step leads to the formation of the copper sulfide at all grain boundaries and surfaces in the CIGSe layer, which results in the noticeably efficiency drop. (C) 2015 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lausanne	Editor
	Language		Wos	000353812400024	Publication Date	2015-04-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0040-6090;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.879	Times cited	5	Open Access
	Notes				Approved	Most recent IF: 1.879; 2015 IF: 1.759
	Call Number	c:irua:126009			Serial	845
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	Author	Batuk, D.; Batuk, M.; Abakumov, A.M.; Hadermann, J.
	Title	Synergy between transmission electron microscopy and powder diffraction : application to modulated structures			Type	A1 Journal article
	Year	2015	Publication	Acta crystallographica: section B: structural science	Abbreviated Journal	Acta Crystallogr B
	Volume	71	Issue	71	Pages	127-143
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The crystal structure solution of modulated compounds is often very challenging, even using the well established methodology of single-crystal X-ray crystallography. This task becomes even more difficult for materials that cannot be prepared in a single-crystal form, so that only polycrystalline powders are available. This paper illustrates that the combined application of transmission electron microscopy (TEM) and powder diffraction is a possible solution to the problem. Using examples of anion-deficient perovskites modulated by periodic crystallographic shear planes, it is demonstrated what kind of local structural information can be obtained using various TEM techniques and how this information can be implemented in the crystal structure refinement against the powder diffraction data. The following TEM methods are discussed: electron diffraction (selected area electron diffraction, precession electron diffraction), imaging (conventional high-resolution TEM imaging, high-angle annular dark-field and annular bright-field scanning transmission electron microscopy) and state-of-the-art spectroscopic techniques (atomic resolution mapping using energy-dispersive X-ray analysis and electron energy loss spectroscopy).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Copenhagen	Editor
	Language		Wos	000352166500002	Publication Date	2015-04-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2052-5206;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.032	Times cited	11	Open Access
	Notes	Fwo G039211n			Approved	Most recent IF: 2.032; 2015 IF: NA
	Call Number	c:irua:124411			Serial	3408
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	Author	Juchtmans, R.; Béché, A.; Abakumov, A.; Batuk, M.; Verbeeck, J.
	Title	Using electron vortex beams to determine chirality of crystals in transmission electron microscopy			Type	A1 Journal article
	Year	2015	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	91	Issue	91	Pages	094112
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We investigate electron vortex beams elastically scattered on chiral crystals. After deriving a general expression for the scattering amplitude of a vortex electron, we study its diffraction on point scatterers arranged on a helix. We derive a relation between the handedness of the helix and the topological charge of the electron vortex on one hand and the symmetry of the higher-order Laue zones in the diffraction pattern on the other for kinematically and dynamically scattered electrons. We then extend this to atoms arranged on a helix as found in crystals which belong to chiral space groups and propose a method to determine the handedness of such crystals by looking at the symmetry of the diffraction pattern. In contrast to alternative methods, our technique does not require multiple scattering, which makes it possible to also investigate extremely thin samples in which multiple scattering is suppressed. In order to verify the model, elastic scattering simulations are performed, and an experimental demonstration on Mn2Sb2O7 is given in which we find the sample to belong to the right-handed variant of its enantiomorphic pair. This demonstrates the usefulness of electron vortex beams to reveal the chirality of crystals in a transmission electron microscope and provides the required theoretical basis for further developments in this field.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000352017000002	Publication Date	2015-03-27
	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	54	Open Access
	Notes	Fwo; 312483 Esteem2; 278510 Vortex; esteem2jra1; esteem2jra2 ECASJO_;			Approved	Most recent IF: 3.836; 2015 IF: 3.736
	Call Number	c:irua:125512 c:irua:125512			Serial	3825
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	Author	Hamidi-Asl, E.; Dardenne, F.; Blust, R.; De Wael, K.
	Title	An improved electrochemical aptasensor for chloramphenicol detection based on aptamer incorporated gelatine			Type	A1 Journal article
	Year	2015	Publication	Sensors	Abbreviated Journal	Sensors-Basel
	Volume	15	Issue	4	Pages	7605-7618
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Because of the biocompatible properties of gelatine and the good affinity of aptamers for their targets, the combination of aptamer and gelatine type B is reported as promising for the development of biosensing devices. Here, an aptamer for chloramphenicol (CAP) is mixed with different types of gelatine and dropped on the surface of disposable gold screen printed electrodes. The signal of the CAP reduction is investigated using differential pulse voltammetry. The diagnostic performance of the sensor is described and a detection limit of 1.83 x 10(-10) M is found. The selectivity and the stability of the aptasensor are studied and compared to those of other CAP sensors described in literature.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000354236100025	Publication Date	2015-03-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1424-8220	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.677	Times cited	21	Open Access
	Notes	; Ezat Hamidi-Asl was financially supported by IOF-POC (University of Antwerp). ;			Approved	Most recent IF: 2.677; 2015 IF: 2.245
	Call Number	UA @ admin @ c:irua:126071			Serial	5464
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	Author	Batuk, M.; Batuk, D.; Tsirlin, A.A.; Filimonov, D.S.; Sheptyakov, D.V.; Frontzek, M.; Hadermann, J.; Abakumov, A.M.
	Title	Layered oxychlorides [PbBiO₂]A_n+1B_nO_3n-1Cl₂(A = Pb/Bi, B = Fe/Ti) : intergrowth of the hematophanite and sillen phases			Type	A1 Journal article
	Year	2015	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	27	Issue	27	Pages	2946-2956
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	New layered structures corresponding to the general formula [PbBiO2]A(n+1)B(n)O(3n-1)Cl(2) Were prepared. Pb5BiFe3O10Cl2 (n = 3) and Pb5Bi2Fe4O13Cl2 (n = 4) are built as a stacking of truncated A(n+1)B(n)O(3n-1) perovskite blocks and alpha-PbO-type [A(2)O(2)](2+) (A = Pb, Bi) blocks combined with chlorine sheets. The alternation of these structural blocks can be represented as an intergrowth between the hematophanite and Sullen-type structural blocks. The crystal and-Magnetic structures of Pb5BiFe3O10Cl2 and Pb5Bi2Fe4O13Cl2 were investigated in the temperature range of 1.5-700 K using X-ray and neutron powder diffraction, transmission electron microscopy and Fe-57 Mossbauer spectroscopy. Both compounds crystallize in the I4/mmm space group with the unit cell parameters a approximate to a(p) approximate to 3.92 angstrom (a unit-cell parameter of the perovskite-structure), c approximate to 43.0 angstrom for the n = 3 member and c approximate to 53.5 angstrom for the n = 4 member. Despite the large separation between the slabs containing the Fe3+ ions (nearly 14 angstrom), long-range antiferromagnetic order sets in below similar to 600 K with the G-type arrangement of the Fe magnetic moments aligned along the c-axis. The possibility of mixing d(0) and d(n) cations at the B sublattice of these structures was also demonstrated by preparing the Ti-substituted n = 4 member Pb6BiFe3TiO13Cl2.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000353865800028	Publication Date	2015-03-26
	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	11	Open Access
	Notes				Approved	Most recent IF: 9.466; 2015 IF: 8.354
	Call Number	c:irua:126060			Serial	1807
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	Author	McCalla, E.; Sougrati, M.T.; Rousse, G.; Berg, E.J.; Abakumov, A.; Recham, N.; Ramesha, K.; Sathiya, M.; Dominko, R.; Van Tendeloo, G.; Novák, P.; Tarascon, J.M.;
	Title	Understanding the roles of anionic redox and oxygen release during electrochemical cycling of lithium-rich layered Li₄FeSbO₆			Type	A1 Journal article
	Year	2015	Publication	Journal of the American Chemical Society	Abbreviated Journal	J Am Chem Soc
	Volume	137	Issue	137	Pages	4804-4814
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Li-rich oxides continue to be of immense interest as potential next generation Li-ion battery positive electrodes, and yet the role of oxygen during cycling is still poorly understood. Here, the complex electrochemical behavior of Li4FeSbO6 materials is studied thoroughly with a variety of methods. Herein, we show that oxygen release occurs at a distinct voltage plateau from the peroxo/superoxo formation making this material ideal for revealing new aspects of oxygen redox processes in Li-rich oxides. Moreover, we directly demonstrate the limited reversibility of the oxygenated species (O-2(n-); n = 1, 2, 3) for the first time. We also find that during charge to 4.2 V iron is oxidized from +3 to an unusual +4 state with the concomitant formation of oxygenated species. Upon further charge to 5.0 V, an oxygen release process associated with the reduction of iron +4 to +3 is present, indicative of the reductive coupling mechanism between oxygen and metals previously reported. Thus, in full state of charge, lithium removal is fully compensated by oxygen only, as the iron and antimony are both very close to their pristine states. Besides, this charging step results in complex phase transformations that are ultimately destructive to the crystallinity of the material. Such findings again demonstrate the vital importance of fully understanding the behavior of oxygen in such systems. The consequences of these new aspects of the electrochemical behavior of lithium-rich oxides are discussed in detail.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000353177100036	Publication Date	2015-03-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0002-7863;1520-5126;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	13.858	Times cited	86	Open Access
	Notes				Approved	Most recent IF: 13.858; 2015 IF: 12.113
	Call Number	c:irua:126019			Serial	3805
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	Author	Van der Paal, J.; Verlackt, C.C.; Yusupov, M.; Neyts, E.C.; Bogaerts, A.
	Title	Structural modification of the skin barrier by OH radicals : a reactive molecular dynamics study for plasma medicine			Type	A1 Journal article
	Year	2015	Publication	Journal of physics: D: applied physics	Abbreviated Journal	J Phys D Appl Phys
	Volume	48	Issue	48	Pages	155202
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	While plasma treatment of skin diseases and wound healing has been proven highly effective, the underlying mechanisms, and more generally the effect of plasma radicals on skin tissue, are not yet completely understood. In this paper, we perform ReaxFF-based reactive molecular dynamics simulations to investigate the interaction of plasma generated OH radicals with a model system composed of free fatty acids, ceramides, and cholesterol molecules. This model system is an approximation of the upper layer of the skin (stratum corneum). All interaction mechanisms observed in our simulations are initiated by H-abstraction from one of the ceramides. This reaction, in turn, often starts a cascade of other reactions, which eventually lead to the formation of aldehydes, the dissociation of ceramides or the elimination of formaldehyde, and thus eventually to the degradation of the skin barrier function.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000351856600007	Publication Date	2015-03-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-3727;1361-6463;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.588	Times cited	20	Open Access
	Notes				Approved	Most recent IF: 2.588; 2015 IF: 2.721
	Call Number	c:irua:124230			Serial	3242
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	Author	Tinck, S.; Tillocher, T.; Dussart, R.; Bogaerts, A.
	Title	Cryogenic etching of silicon with SF₆ inductively coupled plasmas: a combined modelling and experimental study			Type	A1 Journal article
	Year	2015	Publication	Journal of physics: D: applied physics	Abbreviated Journal	J Phys D Appl Phys
	Volume	48	Issue	48	Pages	155204
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	A hybrid Monte Carlofluid model is applied to simulate the wafer-temperature-dependent etching of silicon with SF6 inductively coupled plasmas (ICP). The bulk plasma within the ICP reactor volume as well as the surface reactions occurring at the wafer are self-consistently described. The calculated etch rates are validated by experiments. The calculations and experiments are performed at two different wafer temperatures, i.e. 300 and 173 K, resembling conventional etching and cryoetching, respectively. In the case of cryoetching, a physisorbed SFx layer (x = 06) is formed on the wafer, which is negligible at room temperature, because of fast thermal desorption, However, even in the case of cryoetching, this layer can easily be disintegrated by low-energy ions, so it does not affect the etch rates. In the investigated pressure range of 19 Pa, the etch rate is always slightly higher at cryogenic conditions, both in the experiments and in the model, and this could be explained in the model due to a local cooling of the gas above the wafer, making the gas denser and increasing the flux of reactive neutrals, like F and F2, towards the wafer.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000351856600009	Publication Date	2015-03-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-3727;1361-6463;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.588	Times cited	9	Open Access
	Notes				Approved	Most recent IF: 2.588; 2015 IF: 2.721
	Call Number	c:irua:124209			Serial	551
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	Author	Sun, M.; Rousse, G.; Abakumov, A.M.; Saubanere, M.; Doublet, M.-L.; Rodriguez-Carvajal, J.; Van Tendeloo, G.; Tarascon, J.-M.
	Title	Li₂Cu₂O(SO₄)₂: a possible electrode for sustainable Li-based batteries showing a 4.7 V redox activity vs Li⁺/Li⁰			Type	A1 Journal article
	Year	2015	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	27	Issue	27	Pages	3077-3087
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Li-ion batteries rely on the use of insertion positive electrodes with performances scaling with the redox potential of the 31) metals accompanying Liuptake/removal. Although not commonly studied, the Cu2+/Cu3+ redox potential has been predicted from theoretical calculations to possibly offer a high operating voltage redox couple. We herein report the synthesis and crystal structure of a hitherto-unknown oxysulfate phase, Li2Cu2O(SO4)(2), which contains infinite edgesharing CuO4 chains and presents attractive electrochemical redox activity with respect to Li+/Li, namely amphoteric characteristics. Li2Cu2O(SO4)(2) shows redox activity at 4.7 V vs Li+/Li corresponding to the oxidation of Cu2+ to Cu3+ enlisting ligand holes and associated with the reversible uptake-removal of 0.3 Li. Upon reduction, this compound reversibly uptakes similar to 2 Li at an average potential of about 2.5 V vs Li+/Li, associated with the Cu2+/Cu+ redox couple. The mechanism of the reactivity upon reduction is discussed in detail, with particular attention to the occasional appearance of an oscillation wave in the discharge profile. Our work demonstrates that Cu-based compounds can indeed be fertile scientific ground in the search for new high-energy-density electrodes.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000353865800043	Publication Date	2015-03-25
	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	20	Open Access
	Notes				Approved	Most recent IF: 9.466; 2015 IF: 8.354
	Call Number	c:irua:126061			Serial	3541
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	Author	Neyts, E.C.; Ostrikov, K.(K.)
	Title	Nanoscale thermodynamic aspects of plasma catalysis			Type	A1 Journal article
	Year	2015	Publication	Catalysis today	Abbreviated Journal	Catal Today
	Volume	256	Issue	256	Pages	23-28
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Plasma catalysis continues to gain increasing scientific interest, both in established fields like toxic waste abatement and emerging fields like greenhouse gas conversion into value-added chemicals. Attention is typically focused on the obtained conversion process selectivity, rates and energy efficiency. Much less attention is usually paid to the underlying mechanistic aspects of the processes that occur. In this contribution, we critically examine a number of fundamentally important nanoscale thermodynamic aspects of plasma catalysis, which are very relevant to these processes but so far have been overlooked or insufficiently covered in the plasma catalysis literature.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000360085300004	Publication Date	2015-03-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0920-5861;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.636	Times cited	14	Open Access
	Notes				Approved	Most recent IF: 4.636; 2015 IF: 3.893
	Call Number	c:irua:127409			Serial	2274
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	Author	Chaves, A.; Farias, G.A.; Peeters, F.M.; Ferreira, R.
	Title	The Split-operator technique for the study of spinorial wavepacket dynamics			Type	A1 Journal article
	Year	2015	Publication	Communications in computational physics	Abbreviated Journal	Commun Comput Phys
	Volume	17	Issue	17	Pages	850-866
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The split-operator technique for wave packet propagation in quantum systems is expanded here to the case of propagatingwave functions describing Schrodinger particles, namely, charge carriers in semiconductor nanostructures within the effective mass approximation, in the presence of Zeeman effect, as well as of Rashba and Dresselhaus spin-orbit interactions. We also demonstrate that simple modifications to the expanded technique allow us to calculate the time evolution of wave packets describing Dirac particles, which are relevant for the study of transport properties in graphene.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000353695400010	Publication Date	2015-03-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1815-2406;1991-7120;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.004	Times cited	24	Open Access
	Notes	; The authors gratefully acknowledge fruitful discussions with J. M. Pereira Jr. and R. N. Costa Filho. This work was financially supported by CNPq through the INCT-NanoBioSimes and the Science Without Borders programs (contract 402955/ 2012-9), PRONEX/FUNCAP, CAPES, the Bilateral programme between Flanders and Brazil, and the Flemish Science Foundation (FWO-Vl). ;			Approved	Most recent IF: 2.004; 2015 IF: 1.943
	Call Number	c:irua:126028			Serial	3593
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	Author	De Schepper, E.; Van Passel, S.; Lizin, S.
	Title	Economic benefits of combining clean energy technologies : the case of solar photovoltaics and battery electric vehicles			Type	A1 Journal article
	Year	2015	Publication	International Journal Of Energy Research	Abbreviated Journal	Int J Energ Res
	Volume	39	Issue	8	Pages	1109-1119
	Keywords	A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
	Abstract	The combined use of clean technologies can lead amongst other benefits to reduced environmental impacts, improved system efficiencies, better management of land scarcity, and diminishment of the effect of power variability of intermittent clean energy sources. Nonetheless, private investors facing budgetary constraints will only opt to invest in the combination of technologies if the latter is more profitable than the investment in a single technology. The aim of the paper is to provide a systematic model for decision makers that allows them to evaluate the profitability of any random combination of technologies under budgetary constraints, and to compare this profitability with that of the individual projects in isolation. This research goes beyond the state of art in the field of financial management and more specifically in the field of the rationing of capital amongst interdependent projects, by developing a method to calculate the payoff of interdependent projects undertaken together. Moreover, this paper develops a computational model from the investor's point of view, of which the purpose is threefold: First, the model allows to directly compare the economic payoff of individual complementary technologies with the economic payoff of their integrated combination, under budgetary constraints. Second, the model calculates economic synergies labeled benefits of combined technologies' (BOCT) when combining complementary technologies. Third, the model explains the rationalization behind the presence of BOCT. The model exemplifies an ex ante cost benefit analysis developed for business and non-governmental use. A four step methodology is proposed and illustrated by means of a case study of PV solar power and battery electric vehicles (BEVs) for a small Belgian enterprise. Results show that at low electricity prices (<Euro0.112/kWh) it is most profitable to invest in BEVs. When the price of electricity rises (>Euro0.134/kWh), investment in exclusively PV becomes most attractive. In all other cases, it is more profitable to invest in the combination of both technologies. Copyright (c) 2015 John Wiley & Sons, Ltd.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000355732200006	Publication Date	2015-03-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0363-907x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.598	Times cited	14	Open Access
	Notes	; Sebastien Lizin would like to thank the Research Foundation Flanders (FWO), grant number 12G5415N, for their funding without which it would have been impossible to review this work. ;			Approved	Most recent IF: 2.598; 2015 IF: 2.418
	Call Number	UA @ admin @ c:irua:127535			Serial	6188
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	Author	Garcia, J.H.; Covaci, L.; Rappoport, T.G.
	Title	Real-space calculation of the conductivity tensor for disordered topological matter			Type	A1 Journal article
	Year	2015	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	114	Issue	114	Pages	116602
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We describe an efficient numerical approach to calculate the longitudinal and transverse Kubo conductivities of large systems using Bastin's formulation. We expand the Green's functions in terms of Chebyshev polynomials and compute the conductivity tensor for any temperature and chemical potential in a single step. To illustrate the power and generality of the approach, we calculate the conductivity tensor for the quantum Hall effect in disordered graphene and analyze the effect of the disorder in a Chern insulator in Haldane's model on a honeycomb lattice.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000351430600010	Publication Date	2015-03-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9007;1079-7114;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.462	Times cited	69	Open Access
	Notes	; We acknowledge A. R. Hernandez, A. Ferreira, and E. Mucciolo for discussions. T. G. R and J. H. G acknowledge the Brazilian agencies CNPq, FAPERJ, and INCT de Nanoestruturas de Carbono for financial support. L. C. acknowledges the Flemish Science Foundation (FWO-Vlaanderen) for financial support. ;			Approved	Most recent IF: 8.462; 2015 IF: 7.512
	Call Number	c:irua:125467			Serial	2827
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	Author	Snoeckx, R.; Zeng, Y.X.; Tu, X.; Bogaerts, A.
	Title	Plasma-based dry reforming : improving the conversion and energy efficiency in a dielectric barrier discharge			Type	A1 Journal article
	Year	2015	Publication	RSC advances	Abbreviated Journal	Rsc Adv
	Volume	5	Issue	5	Pages	29799-29808
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Dry reforming of methane has gained significant interest over the years. A novel reforming technique with great potential is plasma technology. One of its drawbacks, however, is energy consumption. Therefore, we performed an extensive computational study, supported by experiments, aiming to identify the influence of the operating parameters (gas mixture, power, residence time and frequency) of a dielectric barrier discharge plasma on the conversion and energy efficiency, and to investigate which of these parameters lead to the most promising results and whether these are eventually sufficient for industrial implementation. The best results, in terms of both energy efficiency and conversion, are obtained at a specific energy input (SEI) of 100 J cm−3, a 1090 CH4CO2 ratio, 10 Hz, a residence time of 1 ms, resulting in a total conversion of 84% and an energy efficiency of 8.5%. In general, increasing the CO2 content in the gas mixture leads to a higher conversion and energy efficiency. The SEI couples the effect of the power and residence time, and increasing the SEI always results in a higher conversion, but somewhat lower energy efficiencies. The effect of the frequency is more complicated: we observed that the product of frequency (f) and residence time (τ), being a measure for the total number of micro-discharge filaments which the gas molecules experience when passing through the reactor, was critical. For most cases, a higher number of filaments yields higher values for conversion and energy efficiency. To benchmark our model predictions, we also give an overview of measured conversions and energy efficiencies reported in the literature, to indicate the potential for improvement compared to the state-of-the art. Finally, we identify the limitations as well as the benefits and future possibilities of plasma technology.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000352789500026	Publication Date	2015-03-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2046-2069;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.108	Times cited	67	Open Access
	Notes				Approved	Most recent IF: 3.108; 2015 IF: 3.840
	Call Number	c:irua:132577			Serial	2629
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	Author	Shanenko, A.A.; Aguiar, J.A.; Vagov, A.; Croitoru, M.D.; Milošević, M.V.
	Title	Atomically flat superconducting nanofilms: multiband properties and mean-field theory			Type	A1 Journal article
	Year	2015	Publication	Superconductor science and technology	Abbreviated Journal	Supercond Sci Tech
	Volume	28	Issue	28	Pages	054001
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Recent progress in materials synthesis enabled fabrication of superconducting atomically flat single-crystalline metallic nanofilms with thicknesses down to a few monolayers. Interest in such nano-thin systems is attracted by the dimensional 3D-2D crossover in their coherent properties which occurs with decreasing the film thickness. The first fundamental aspect of this crossover is dictated by the Mermin-Wagner-Hohenberg theorem and concerns frustration of the long-range order due to superconductive fluctuations and the possibility to track its impact with an unprecedented level of control. The second important aspect is related to the Fabri-Perot modes of the electronic motion strongly bound in the direction perpendicular to the nanofilm. The formation of such modes results in a pronounced multiband structure that changes with the nanofilm thickness and affects both the mean-field behavior and superconductive fluctuations. Though the subject is very rich in physics, it is scarcely investigated to date. The main obstacle is that there are no manageable models to study a complex magnetic response in this case. Full microscopic consideration is rather time consuming, if practicable at all, while the standard Ginzburg-Landau theory is not applicable. In the present work we review the main achievements in the subject to date, and construct and justify an efficient multiband mean-field formalism which allows for numerical and even analytical treatment of nano-thin superconductors in applied magnetic fields.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000353015700005	Publication Date	2015-03-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-2048;1361-6668;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.878	Times cited	23	Open Access
	Notes	This work was supported by the Brazilian agencies CNPq (grants 307552/2012-8 and 141911/2012-3) and FACEPE (APQ-0589-1.05/08). AAS acknowledges fruitful discussions with A Perali and D Neilson during his stay in the University of Camerino and is thankful for partial support of his visit by the University of Camerino under the project FAR 'Control and enhancement of superconductivity by engineering materials at the nanoscale'. MDC acknowledges the support from the Back to Belgium Grant of the federal Science Policy (BELSPO).			Approved	Most recent IF: 2.878; 2015 IF: 2.325
	Call Number	c:irua:132501			Serial	3944
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	Author	Pacini, G.C.; Merante, P.; Lazzerini, G.; Van Passel, S.
	Title	Increasing the cost-effectiveness of EU agri-environment policy measures through evaluation of farm and field-level environmental and economic performance			Type	A1 Journal article
	Year	2015	Publication	Agricultural Systems	Abbreviated Journal	Agr Syst
	Volume	136	Issue		Pages	70-78
	Keywords	A1 Journal article; Economics; Engineering Management (ENM)
	Abstract	A lot of attention in the debate on the 2014-2020 programming period of the EU CAP and rural development policy revolves around the policy's contribution to enhancing resource use efficiency, decreasing environmental impact, restoring ecosystems and how to ensure more efficient and effective agrienvironmental measures (AEMs). Nevertheless, studies that simultaneously address multiple measures with multiple environmental objectives and targets are underrepresented in the scientific literature. The objectives of the present article are (i) to present an integrated tool-kit for AEM design resulting from the combination of farm modelling with the Sustainable Value Approach (SVA), and (ii) to evaluate the potential of the tool-kit to support AEM design through an application to estimate cost-effective organic agriculture payments for the dairy sector in Mugello, northern Tuscany. Sustainability assessment of organic and conventional farming systems (OFS and CFS, respectively.) under the 2007-2013 EU CAP support schemes and a no EU support scenario show better OFS performances regarding nitrogen leaching (-52% and -47% under the current CAP and the no EU support scenarios, respectively), soil erosion (-24% and -34%), potential pesticide risks (-100%), biodiversity (+13% and +30%). Income foregone for the production of environmental benefits from organic agriculture under a no EU support scenario is equal to 210 Euro/ha. Sustainable value calculations combined with modelling results indicate soil erosion and nitrogen leaching as the environmental processes to be addressed with specific policy measures to further increase the efficiency of organic farming. A new organic agriculture support scheme designed based on such indications further increases the OFS SV and almost closes the GAP with a benchmark farm of the area, featured with ideal performances in terms of environmental and economic indicators. The payment scheme we designed with the support of the integrated tool-kit shows to be more cost-effective and efficient of current AEMs. (C) 2015 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000354503000007	Publication Date	2015-03-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0308-521x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.571	Times cited	12	Open Access
	Notes	; We wish to thank all participants to the SVAPPAS project for their inspiring contributions and challenging debates. We are furthermore grateful to the financial support from the 6th Framework Programme of the EU (project code: SSPECT – 2006 – DG AGRI). The authors are most grateful to technicians Giovanna Casella and Roberto Vivoli (University of Florence) for their technical contribution. ;			Approved	Most recent IF: 2.571; 2015 IF: 2.906
	Call Number	UA @ admin @ c:irua:127537			Serial	6216
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	Author	Van Boxem, R.; Partoens, B.; Verbeeck, J.
	Title	Inelastic electron-vortex-beam scattering			Type	A1 Journal article
	Year	2015	Publication	Physical review : A : atomic, molecular and optical physics	Abbreviated Journal	Phys Rev A
	Volume	91	Issue	91	Pages	032703
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	Recent theoretical and experimental developments in the field of electron-vortex-beam physics have raised questions about what exactly this novelty in the field of electron microscopy (and other fields, such as particle physics) really provides. An important part of the answer to these questions lies in scattering theory. The present investigation explores various aspects of inelastic quantum scattering theory for cylindrically symmetric beams with orbital angular momentum. The model system of Coulomb scattering on a hydrogen atom provides the setting to address various open questions: How is momentum transferred? Do vortex beams selectively excite atoms, and how can one employ vortex beams to detect magnetic transitions? The analytical approach presented here provides answers to these questions. OAM transfer is possible, but not through selective excitation; rather, by pre- and postselection one can filter out the relevant contributions to a specific signal.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000351035000004	Publication Date	2015-03-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1050-2947;1094-1622;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.925	Times cited	31	Open Access
	Notes	Fwo; 312483 Esteem2; 278510 Vortex; esteem2jra3 ECASJO;			Approved	Most recent IF: 2.925; 2015 IF: 2.808
	Call Number	c:irua:123925 c:irua:123925UA @ admin @ c:irua:123925			Serial	1607
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	Author	Danthurebandara, M.; Van Passel, S.; Machiels, L.; Van Acker, K.
	Title	Valorization of thermal treatment residues in enhanced landfill mining : environmental and economic evaluation			Type	A1 Journal article
	Year	2015	Publication	Journal Of Cleaner Production	Abbreviated Journal	J Clean Prod
	Volume	99	Issue		Pages	275-285
	Keywords	A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
	Abstract	Enhanced Landfill Mining is an innovative concept which allows the recovery of land, re-introduction of materials to the material cycles and recovery of energy from a considerably large stock of resources held in landfills. Plasma gasification is a viable candidate for combined energy and material valorization in the framework of Enhanced landfill Mining. Besides energy production, plasma gasification also delivers an environmentally stable vitrified residue called plasmastone, which can be converted into building materials. This paper presents an environmental and economic evaluation of the valorization of thermal treatment residues (plasmastone) in the context of Enhanced Landfill Mining. The most common valorization route, that is, the treatment of plasmastone via production of aggregates, is compared with two other possible, higher added value applications, which are inorganic polymer production and blended cement production. The evaluation is based on life cycle assessment and life cycle costing. The study suggests that the environmental and economic performances of the valorization routes depend mainly on the quality and quantity of the final products produced from a certain amount of plasmastone. The materials with the greatest contribution to potential global warming and to the net present value of the valorization scenarios are the process input materials of sodium silicate, sodium hydroxide and cement. The study concludes that the plasmastone valorization via inorganic polymer production yields higher environmental benefits, while the blended cement production provides higher economic profits. Plasmastone valorization via aggregates production does not yield economic or environmental benefits. Given the trade-off between environmental and economic performances, we conclude that the decisions regarding the selection of appropriate valorization routes should be made cautiously to obtain optimal environmental benefits and economic profits. (C) 2015 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000356195000023	Publication Date	2015-03-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0959-6526	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.715	Times cited	17	Open Access
	Notes	; The authors would like to acknowledge the funding of this study by the IWT-O&O ELFM project 'Closing the Circle & Enhanced Landfill Mining as part of the Transition to Sustainable Materials Management' and the valuable discussions with Group Machiels (Belgium). ;			Approved	Most recent IF: 5.715; 2015 IF: 3.844
	Call Number	UA @ admin @ c:irua:127533			Serial	6276
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	Author	Sahin, H.; Leenaerts, O.; Singh, S.K.; Peeters, F.M.
	Title	Graphane			Type	A1 Journal article
	Year	2015	Publication	Wiley Interdisciplinary Reviews: Computational Molecular Science	Abbreviated Journal	Wires Comput Mol Sci
	Volume	5	Issue	5	Pages	255-272
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Atomically thin crystals have recently been the focus of attention, in particular, after the synthesis of graphene, a monolayer hexagonal crystal structure of carbon. In this novel material class, the chemically derived graphenes have attracted tremendous interest. It was shown that, although bulk graphite is a chemically inert material, the surface of single layer graphene is rather reactive against individual atoms. So far, synthesis of several graphene derivatives have been reported such as hydrogenated graphene graphane' (CH), fluorographene (CF), and chlorographene (CCl). Moreover, the stability of bromine and iodine covered graphene were predicted using computational tools. Among these derivatives, easy synthesis, insulating electronic behavior and reversibly tunable crystal structure of graphane make this material special for future ultra-thin device applications. This overview surveys structural, electronic, magnetic, vibrational, and mechanical properties of graphane. We also present a detailed overview of research efforts devoted to the computational modeling of graphane and its derivatives. Furthermore recent progress in synthesis techniques and possible applications of graphane are reviewed as well. WIREs Comput Mol Sci 2015, 5:255-272. doi: 10.1002/wcms.1216 For further resources related to this article, please visit the . Conflict of interest: The authors have declared no conflicts of interest for this article.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000352862700001	Publication Date	2015-03-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1759-0876;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	14.016	Times cited	54	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. H. Sahin is supported by a FWO Pegasus Long Marie Curie Fellowship. ;			Approved	Most recent IF: 14.016; 2015 IF: 11.885
	Call Number	c:irua:125996			Serial	1366
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	Author	Romero-Pastor, J.; Garcia-Porras, A.; Van Grieken, R.; Potgieter-Vermaak, S.; Coll-Conesa, J.; Cardell, C.
	Title	New insights in technology characterization of medieval Valencia glazes			Type	A1 Journal article
	Year	2015	Publication	X-ray spectrometry	Abbreviated Journal
	Volume	44	Issue	6	Pages	426-435
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	This study shows the first Raman microscopy (RM) and scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDX) characterization of two 14th and 15th century lead-glazed and luster ceramics from the Manises and Paterna workshops (Valencia, Spain) produced after the Aragon Christian conquest of the Iberian Peninsula (14th century). According to experts, these coetaneous ceramics were most probably involved in a process of technological transfer from the Islamic area of Southeast Spain to the Christian area of Valencia (East Spain) at the beginning of the 14th century; later on, the celebrated Manises and Paterna workshops were formed. Although these ceramics have been studied widely in terms of production technology (ceramic body, glazes and luster) using an array of diverse analytical techniques, until now, an RM study has not been carried out. This paper presents results regarding the complex chemical composition of the glaze and luster coloring agents, and the quality of color manufacturing processes, elucidating firing conditions via spectral components analysis (i.e., Q(n) for stretching/bending components) and polymerization index (Ip), emphasizing chronology and pigment technology changes between both Valencian workshops. Coloring agents identified in glazes and lusters were cobalt present in blue glazes, copper in greenish glazes, copper and cobalt in the turquoise glaze, and pyrolusite in black glazes. Tin oxyde was used as an opacifier in white glazes. Two luster manufacture recipes were recognized mainly based on copper and silver compounds. Calculated firing temperatures were up to 1000 degrees C for white glazes and up to 600 degrees C for luster and color glazes. Copyright (c) 2015 John Wiley & Sons, Ltd.
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	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000363279600002	Publication Date	2015-03-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0049-8246	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:129445			Serial	8300
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	Author	Mourdikoudis, S.; Chirea, M.; Zanaga, D.; Altantzis, T.; Mitrakas, M.; Bals, S.; Marzán, L.M.; Pérez-Juste, J.; Pastoriza-Santos, I.
	Title	Governing the morphology of PtAu heteronanocrystals with improved electrocatalytic performance			Type	A1 Journal article
	Year	2015	Publication	Nanoscale	Abbreviated Journal	Nanoscale
	Volume	7	Issue	7	Pages	8739-8747
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Platinumgold heteronanostructures comprising either dimer (PtAu) or coresatellite (Pt@Au) configurations were synthesized by means of a seeded growth procedure using platinum nanodendrites as seeds. Careful control of the reduction kinetics of the gold precursor can be used to direct the nucleation and growth of gold nanoparticles on either one or multiple surface sites simultaneously, leading to the formation of either dimers or coresatellite nanoparticles, respectively, in high yields. Characterization by electron tomography and high resolution electron microscopy provided a better understanding of the actual three-dimensional particle morphology, as well as the AuPt interface, revealing quasi-epitaxial growth of Au on Pt. The prepared PtAu bimetallic nanostructures are highly efficient catalysts for ethanol oxidation in alkaline solution, showing accurate selectivity, high sensitivity, and improved efficiency by generating higher current densities than their monometallic counterparts.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000354204400011	Publication Date	2015-03-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2040-3364;2040-3372;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.367	Times cited	41	Open Access	OpenAccess
	Notes	335078 Colouratom; 262348 Esmi; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot);			Approved	Most recent IF: 7.367; 2015 IF: 7.394
	Call Number	c:irua:126354			Serial	1360
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