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	Author	Krupińska, B.; Van Grieken, R.; De Wael, K.
	Title	Air quality monitoring in a museum for preventive conservation : results of a three-year study in the Plantin-Moretus Museum in Antwerp, Belgium			Type	A1 Journal article
	Year	2013	Publication	Microchemical journal	Abbreviated Journal	Microchem J
	Volume	110	Issue		Pages	350-360
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Through different research projects on air quality in museums, researcher and conservators try identifying various risks of air pollution on materials. The conclusions may be later translated into specific actions for a maximum preservation of the museum collections, a process known as preventive conservation. Air pollution is a particular problem in historical buildings such as museums, because they were not originally built to exhibit and protect art objects in a sustainable way. This article reports on the data and results that were obtained during 10 sampling campaigns, in the period between November 2008 and February 2012 in a museum in Antwerp (Belgium), i.e. Plantin-Moretus Museum/Print Room. Different pollutants were measured inside and outside the museum such as inorganic gases, particulate matter and black carbon. The report specifically addresses environmental factors that may be responsible for damage to the collections present in museums. Thanks to the knowledge about the current situation in the museum, accurate solutions regarding preventive conservation, in general, are suggested.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000326851200051	Publication Date	2013-05-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0026-265x; 0026-265x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.034	Times cited	46	Open Access
	Notes	; The presented work was realised in the frame of the project Preventive conservation/preservation in the museum Plantin-Moretus/Prentenkabinet, Antwerp, financed by the Flemish Government. Special thanks are due to Mrs Hanne Moris and Mrs Elke van Herck and all the staff of the Museum Plantin-Moretus/Print Room in Antwerp for their sincere interest in this work and their eager assistance during all the sampling campaigns. VMM and Dr. Edward Roekens is acknowledged for sharing the black carbon measurements. Barbara Krupinska is supported as PhD student by the Flemish Fund for Scientific Research (FWO, Belgium). ;			Approved	Most recent IF: 3.034; 2013 IF: 3.583
	Call Number	UA @ admin @ c:irua:108402			Serial	5460
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	Author	Khalilov, U.; Pourtois, G.; Huygh, S.; van Duin, A.C.T.; Neyts, E.C.; Bogaerts, A.
	Title	New mechanism for oxidation of native silicon oxide			Type	A1 Journal article
	Year	2013	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	117	Issue	19	Pages	9819-9825
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Continued miniaturization of metal-oxide-semiconductor field-effect transistors (MOSFETs) requires an ever-decreasing thickness of the gate oxide. The structure of ultrathin silicon oxide films, however, critically depends on the oxidation mechanism. Using reactive atomistic simulations, we here demonstrate how the oxidation mechanism in hyperthermal oxidation of such structures may be controlled by the oxidation temperature and the oxidant energy. Specifically, we study the interaction of hyperthermal oxygen with energies of 15 eV with thin SiOx (x ≤ 2) films with a native oxide thickness of about 10 Å. We analyze the oxygen penetration depth probability and compare with results of the hyperthermal oxidation of a bare Si(100){2 × 1} (c-Si) surface. The temperature-dependent oxidation mechanisms are discussed in detail. Our results demonstrate that, at low (i.e., room) temperature, the penetrated oxygen mostly resides in the oxide region rather than at the SiOx\|c-Si interface. However, at higher temperatures, starting at around 700 K, oxygen atoms are found to penetrate and to diffuse through the oxide layer followed by reaction at the c-Si boundary. We demonstrate that hyperthermal oxidation resembles thermal oxidation, which can be described by the DealGrove model at high temperatures. Furthermore, defect creation mechanisms that occur during the oxidation process are also analyzed. This study is useful for the fabrication of ultrathin silicon oxide gate oxides for metal-oxide-semiconductor devices as it links parameters that can be straightforwardly controlled in experiment (oxygen temperature, velocity) with the silicon oxide structure.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000319649100032	Publication Date	2013-04-23
	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	24	Open Access
	Notes				Approved	Most recent IF: 4.536; 2013 IF: 4.835
	Call Number	UA @ lucian @ c:irua:107989			Serial	2321
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	Author	Nuyts, G.; Cagno, S.; Hellemans, K.; Veronesi, G.; Cotte, M.; Janssens, K.
	Title	Study of the early stages of Mn intrusion in corroded glass by means of combined SR FTIR/\muXRF imaging and XANES spectroscopy			Type	P1 Proceeding
	Year	2013	Publication	Procedia Chemistry T2 – Youth in Conservation of Cultural Heritage Conference (YOCOCU), June 18-20, 2012, University of Antwerp, Antwerp, Belgium	Abbreviated Journal
	Volume		Issue		Pages	239-247
	Keywords	P1 Proceeding; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Historical glass, especially medieval glass, can undergo weathering under the influence of time and environmental conditions. The aim of this investigation was to better understand the processes involved in this natural degradation process by studying artificially altered glass samples prepared for the use of evaluation of conservation methods. Non-durable glass sensors produced by the Fraunhofer Institute (type M1.0) were used as a starting material for artificial alteration. These were immersed in acidic (pH = 0, 2, 4) and neutral solutions (1 h – 8 h). In a second stage the glass samples were immersed in a 0.5 M MnCl2 solution (24 h, 48 h and 72 h), allowing intrusion of Mn from the solution into the gel layer. The samples were characterized at different stages with reflectance FTIR spectroscopy, mu XRF mapping and mu XANES. All measurements were carried out at ESRF, beamline ID21. Reflectance FTIR spectroscopy measurements were performed in the 800 4000 cm(-1) range. Cluster analysis of the resulting maps evidenced the rapid growth of the gel layer in strong acidic conditions. The average spectra for each cluster feature show for the original glass a strong Si-O- stretching band between 900 and 1000 cm(-1), whereas the gel layer could be identified by the increasing Si-O-Si bands around 1100 and 1250 cm(-1). mu XRF maps were recorded at different stages of the experiment at energies around the Mn-K edge (6.539 keV) and with a step size of 2 by 2 m. These confirm the leaching of K+ and Ca+2 from the glass and the intrusion of Mn from the solution. Mn was found throughout the entire gel layer, but with a concentration gradient peaking at the surface. XANES point measurements were recorded at various points where Mn was present. No spatial variation was found, but linear combination fitting of the spectra with various Mn reference compounds indicated that Mn2+Mn23+O4 is the main Mn compound in the gel layer, as was hypothesised by Watkinson et al. The standard corroded glass samples studied here can be used for the evaluation of conservation treatments in follow-up experiments. (C) 2013 The Authors. Published by Elsevier B.V. Selection and peer-review under responsibility of the IA-CS (Italian Association of Conservation Scientists) and University of Antwerp
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000321673900030	Publication Date	2013-04-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume	8	Series Issue		Edition
	ISSN	1876-6196	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	4	Open Access
	Notes	; This research was supported by the Interuniversity Attraction Poles Programme – Belgian Science Policy (IUAP VI/16). The text also presents results of GOA XANES “meets ELNES” (Research Fund University of Antwerp, Belgium) and from FWO (Brussels, Belgium) projects no. G.0704.08 and G.01769.09. We gratefully acknowledge ESRF for granting beamtime (experiment EC873). ;			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:109871			Serial	5851
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	Author	Tsoufis, T.; Georgakilas, V.; Ke, X.; Van Tendeloo, G.; Rudolf, P.; Gournis, D.
	Title	Incorporation of pure fullerene into organoclays : towards C₆₀-pillared clay structures			Type	A1 Journal article
	Year	2013	Publication	Chemistry: a European journal	Abbreviated Journal	Chem-Eur J
	Volume	19	Issue	24	Pages	7937-7943
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	In this work, we demonstrate the successful incorporation of pure fullerene from solution into two-dimensional layered aluminosilicate minerals. Pure fullerenes are insoluble in water and neutral in terms of charge, hence they cannot be introduced into the clay galleries by ion exchange or intercalation from water solution. To overcome this bottleneck, we organically modified the clay with quaternary amines by using well-established reactions in clay science in order to expand the interlayer space and render the galleries organophilic. During the reaction with the fullerene solution, the organic solvent could enter into the clay galleries, thus transferring along the fullerene molecules. Furthermore, we demonstrate that the surfactant molecules, can be selectively removed by either simple ion-exchange reaction (e.g., interaction with Al(NO3)3 solution to replace the surfactant molecules with Al3+ ions) or thermal treatment (heating at 350 °C) to obtain novel fullerene-pillared clay structures exhibiting enhanced surface area. The synthesized hybrid materials were characterized in detail by a combination of experimental techniques including powder X-ray diffraction, transmission electron microscopy, X-ray photoemission, and UV/Vis spectroscopy as well as thermal analysis and nitrogen adsorptiondesorption measurements. The reported fullerene-pillared clay structures constitute a new hybrid system with very promising potential for the use in areas such as gas storage and/or gas separation due to their high surface area.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000319825500035	Publication Date	2013-04-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0947-6539;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.317	Times cited	3	Open Access
	Notes	262348 Esmi; 246791 Countatoms			Approved	Most recent IF: 5.317; 2013 IF: 5.696
	Call Number	UA @ lucian @ c:irua:107347			Serial	1599
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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	Vorobyeva, N.; Rumyantseva, M.; Filatova, D.; Konstantinova, E.; Grishina, D.; Abakumov, A.; Turner, S.; Gaskov, A.
	Title	Nanocrystalline ZnO(Ga) : paramagnetic centers, surface acidity and gas sensor properties			Type	A1 Journal article
	Year	2013	Publication	Sensors and actuators : B : chemical	Abbreviated Journal	Sensor Actuat B-Chem
	Volume	182	Issue		Pages	555-564
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Nanocrystalline ZnO and ZnO(Ga) samples with different gallium content were prepared by wet-chemical method. Introduction of gallium leads to the increase of amount of weak acid sites such as surface hydroxyl groups. Gas sensing properties toward 0.22 ppm H2S and NO2 were studied at 100450 °C by DC conductance measurements. The optimal temperature for gas sensing experiments was determined. Sensor signal toward H2S decreases with increase of Ga concentration. The dependence of ZnO(Ga) sensor signal to NO2 on the gallium content has non-monotonous character, which correlates with the change of conductivity of the samples in air and concentration of paramagnetic donor states.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lausanne	Editor
	Language		Wos	000319488800075	Publication Date	2013-03-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0925-4005;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.401	Times cited	42	Open Access
	Notes	Hercules; FWO			Approved	Most recent IF: 5.401; 2013 IF: 3.840
	Call Number	UA @ lucian @ c:irua:107346			Serial	2250
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	Author	Berdonosov, P.S.; Akselrud, L.; Prots, Y.; Abakumov, A.M.; Smet, P.F.; Poelman, D.; Van Tendeloo, G.; Dolgikh, V.A.
	Title	Cs₇Nd₁₁(SeO₃)₁₂Cl₁₆ : first noncentrosymmetric structure among alkaline-metal lanthanide selenite halides			Type	A1 Journal article
	Year	2013	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	52	Issue	7	Pages	3611-3619
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Cs7Nd11(SeO3)(12)Cl-16, the complex selenite chloride of cesium and neodymium, was synthesized in the NdOCl-SeO2-CsCl system. The compound has been characterized using single-crystal X-ray diffraction, electron diffraction, transmission electron microscopy, luminescence spectroscopy, and second-harmonic-generation techniques. Cs7Nd11(SeO3)(12)Cl-16 crystallizes in an orthorhombic unit cell with a = 15.911(1) angstrom, b = 15.951(1) angstrom, and c = 25.860(1) angstrom and a noncentrosymmetric space group Pna2(1) (No. 33). The crystal structure of Cs7Nd11(SeO3)(12)Cl-16 can be represented as a stacking of Cs7Nd11(SeO3)(12) lamellas and CsCl-like layers. Because of the layered nature of the Cs7Nd11(SeO3)(12)Cl-16 structure, it features numerous planar defects originating from occasionally missing the CsCl-like layer and violating the perfect stacking of the Cs7Nd11(SeO3)(12)Cl-16 lamellas. Cs7Nd11(SeO3)(12)Cl-16 represents the first example of a noncentrosymmetric structure among alkaline-metal lanthanide selenite halides. Cs7Nd11(SeO3)(12)Cl-16 demonstrates luminescence emission in the near-IR region with reduced efficiency due to a high concentration of Nd3+ ions causing nonradiative cross-relaxation.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000317094300022	Publication Date	2013-03-11
	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	10	Open Access
	Notes				Approved	Most recent IF: 4.857; 2013 IF: 4.794
	Call Number	UA @ lucian @ c:irua:108482			Serial	3524
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	Author	Smits, M.; Chan, C. kit; Tytgat, T.; Craeye, B.; Costarramone, N.; Lacombe, S.; Lenaerts, S.
	Title	Photocatalytic degradation of soot deposition : self-cleaning effect on titanium dioxide coated cementitious materials			Type	A1 Journal article
	Year	2013	Publication	Chemical engineering journal	Abbreviated Journal	Chem Eng J
	Volume	222	Issue		Pages	411-418
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Diesel soot emissions deteriorate the appearance of architectural building materials by soot fouling. This soot deposition devalue the aesthetic value of the building. A solution to counteract this problem is applying titanium dioxide on building materials. TiO2 can provide air-purifying and self-cleaning properties due to its photocatalytic activity. In literature, photocatalytic soot oxidation is observed on glass or silicon substrates. However, degradation of soot by photocatalysis was not yet investigated on cementitious samples (mortar, concrete) although it is one of the most frequently used building materials. In this study, photocatalytic soot oxidation by means of TiO2 coated cementitious samples is addressed. The soot removal capacity of four types of TiO2 layers, coated on mortar samples, is evaluated by means of two detection methods. The first method is based on colorimetric measurements, while the second method uses digital image processing to calculate the area of soot coverage. The experimental data revealed that cementitious materials coated with commercially available TiO2 exhibited self-cleaning properties as it was found that all coated samples were able to remove soot. The P25 coating gave the best soot degradation performance, while the Eoxolit product showed the slowest soot degradation rate. In addition, gas chromatography measurements in a closed chamber experiment with P25 confirmed that complete mineralization of about 60% of the soot was obtained within 24 hours since CO2 was the sole observed oxidation product. Due to its realistic approach, this study proves that photocatalytic soot removal on TiO2 coated cementitious surfaces is possible in practice, which is an important step towards the practical application of self-cleaning building materials.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000319528900046	Publication Date	2013-03-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1385-8947; 1873-3212	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.216	Times cited	43	Open Access
	Notes	; This work was supported by a PhD grant (M. Smits) from the University of Antwerp, a PhD grant (T. Tytgat) funded by the Institute of Innovation by Science and Technology in Flanders (IWT) and the exchange program Tournesol (Project T2012.05) financed by the Flemish government. ;			Approved	Most recent IF: 6.216; 2013 IF: 4.058
	Call Number	UA @ admin @ c:irua:106519			Serial	5979
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	Author	Cataldo, M.; Evangelista, H.; Simões, J.C.; Godoi, R.H.M.; Simmonds, I.; Hollanda, M.H.; Wainer, I.; Aquino, F.; Van Grieken, R.
	Title	Mineral dust variability in central West Antarctica associated with ozone depletion			Type	A1 Journal article
	Year	2013	Publication	Atmospheric chemistry and physics	Abbreviated Journal
	Volume	13	Issue	4	Pages	2165-2175
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	We present here data of mineral dust variability retrieved from an ice core of the central West Antarctic, spanning the last five decades. Main evidence provided by the geochemical analysis is that northerly air mass incursions to the coring site, tracked by insoluble dust microparticles, have declined over the past 50 yr. This result contrasts with dust records from ice cores reported to the coastal West Antarctic that show increases since mid-20th century. We attribute this difference to regional climatic changes due to the ozone depletion and its implications to westerly winds. We found that the diameters of insoluble microparticles in the central West Antarctica ice core are significantly correlated with cyclone depth (energy) and wind intensity around Antarctica.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000315406600027	Publication Date	2013-02-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1680-7316; 1680-7324	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:105832			Serial	8250
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	Author	Yusupov, M.; Bogaerts, A.; Huygh, S.; Snoeckx, R.; van Duin, A.C.T.; Neyts, E.C.
	Title	Plasma-induced destruction of bacterial cell wall components : a reactive molecular dynamics simulation			Type	A1 Journal article
	Year	2013	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	117	Issue	11	Pages	5993-5998
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Nonthermal atmospheric pressure plasmas are gaining increasing attention for biomedical applications. However, very little fundamental information on the interaction mechanisms between the plasma species and biological cells is currently available. We investigate the interaction of important plasma species, such as OH, H2O2, O, O3, as well as O2 and H2O, with bacterial peptidoglycan by means of reactive molecular dynamics simulations, aiming for a better understanding of plasma disinfection. Our results show that OH, O, O3, and H2O2 can break structurally important bonds of peptidoglycan (i.e., CO, CN, or CC bonds), which consequently leads to the destruction of the bacterial cell wall. The mechanisms behind these breakups are, however, dependent on the impinging plasma species, and this also determines the effectiveness of the cell wall destruction.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000316773000056	Publication Date	2013-02-23
	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	59	Open Access
	Notes				Approved	Most recent IF: 4.536; 2013 IF: 4.835
	Call Number	UA @ lucian @ c:irua:107154			Serial	2636
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	Author	Snoeckx, R.; Aerts, R.; Tu, X.; Bogaerts, A.
	Title	Plasma-based dry reforming : a computational study ranging from the nanoseconds to seconds time scale			Type	A1 Journal article
	Year	2013	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	117	Issue	10	Pages	4957-4970
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	We present a computational study for the conversion of CH4 and CO2 into value-added chemicals, i.e., the so-called dry reforming of methane, in a dielectric barrier discharge reactor. A zero-dimensional chemical kinetics model is applied to study the plasma chemistry in a 1:1 CH4/CO2 mixture. The calculations are first performed for one microdischarge pulse and its afterglow, to study in detail the chemical pathways of the conversion. Subsequently, long time-scale simulations are carried out, corresponding to real residence times in the plasma, assuming a large number of consecutive microdischarge pulses, to mimic the conditions of the filamentary discharge regime in a dielectric barrier discharge (DBD) reactor. The conversion of CH4 and CO2 as well as the selectivity of the formed products and the energy cost and energy efficiency of the process are calculated and compared to experiments for a range of different powers and gas flows, and reasonable agreement is reached.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000316308400010	Publication Date	2013-02-18
	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	118	Open Access
	Notes				Approved	Most recent IF: 4.536; 2013 IF: 4.835
	Call Number	UA @ lucian @ c:irua:106516			Serial	2628
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	Author	Abakumov, A.M.; Batuk, M.; Tsirlin, A.A.; Tyablikov, O.A.; Sheptyakov, D.V.; Filimonov, D.S.; Pokholok, K.V.; Zhidal, V.S.; Rozova, M.G.; Antipov, E.V.; Hadermann, J.; Van Tendeloo, G.;
	Title	Structural and magnetic phase transitions in the A_nB_nO_3n-2 anion-deficient perovskites Pb₂Ba₂BiFe₅O₁₃ and Pb_1.5Ba_2.5Bi₂Fe₆O₁₆			Type	A1 Journal article
	Year	2013	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	52	Issue	14	Pages	7834-7843
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Novel anion-deficient perovskite-based ferrites Pb2Ba2BiFe5O13 and Pb1.5Ba2.5Bi2Fe6O16 were synthesized by solid-state reaction in air. Pb2Ba2BiFe5O13 and Pb1.5Ba2.5Bi2Fe6O16 belong to the perovskite-based AnBnO3n2 homologous series with n = 5 and 6, respectively, with a unit cell related to the perovskite subcell ap as ap√2 × ap × nap√2. Their structures are derived from the perovskite one by slicing it with 1/2[110]p(1̅01)p crystallographic shear (CS) planes. The CS operation results in (1̅01)p-shaped perovskite blocks with a thickness of (n 2) FeO6 octahedra connected to each other through double chains of edge-sharing FeO5 distorted tetragonal pyramids which can adopt two distinct mirror-related configurations. Ordering of chains with a different configuration provides an extra level of structure complexity. Above T ≈ 750 K for Pb2Ba2BiFe5O13 and T ≈ 400 K for Pb1.5Ba2.5Bi2Fe6O16 the chains have a disordered arrangement. On cooling, a second-order structural phase transition to the ordered state occurs in both compounds. Symmetry changes upon phase transition are analyzed using a combination of superspace crystallography and group theory approach. Correlations between the chain ordering pattern and octahedral tilting in the perovskite blocks are discussed. Pb2Ba2BiFe5O13 and Pb1.5Ba2.5Bi2Fe6O16 undergo a transition into an antiferromagnetically (AFM) ordered state, which is characterized by a G-type AFM ordering of the Fe magnetic moments within the perovskite blocks. The AFM perovskite blocks are stacked along the CS planes producing alternating FM and AFM-aligned FeFe pairs. In spite of the apparent frustration of the magnetic coupling between the perovskite blocks, all n = 4, 5, 6 AnFenO3n2 (A = Pb, Bi, Ba) feature robust antiferromagnetism with similar Néel temperatures of 623632 K.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000322087100006	Publication Date	2013-02-13
	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	10	Open Access
	Notes	Countatoms			Approved	Most recent IF: 4.857; 2013 IF: 4.794
	Call Number	UA @ lucian @ c:irua:109213			Serial	3196
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	Author	He, Z.B.; Deng, G.; Tian, H.; Xu, Q.; Van Tendeloo, G.
	Title	90° Rotation of orbital stripes in bilayer manganite PrCa₂Mn₂O₇ studied by in situ transmission electron microscopy			Type	A1 Journal article
	Year	2013	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	200	Issue		Pages	287-293
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We present an in situ transmission electron microscopy study on the half-doped bilayer manganite PrCa2Mn2O7 to reveal the rotation process of the orbital stripes. Between the reported initial and final ordering phases, we identified an intermediate state with two sets of satellite spots to bridge the 90° rotation of the orbital stripes. Furthermore, we determined that the rotation of the orbital stripes does not always occur. Some restricted conditions for the orbital rotation to occur were found and reasons are discussed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000317158000043	Publication Date	2013-02-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-4596;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.299	Times cited	5	Open Access
	Notes	Countatoms			Approved	Most recent IF: 2.299; 2013 IF: 2.200
	Call Number	UA @ lucian @ c:irua:106183			Serial	20
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	Author	Terzano, R.; Alfeld, M.; Janssens, K.; Vekemans, B.; Schoonjans, T.; Vincze, L.; Tomasi, N.; Pinton, R.; Cesco, S.
	Title	Spatially resolved (semi)quantitative determination of iron (Fe) in plants by means of synchrotron micro X-ray fluorescence			Type	A1 Journal article
	Year	2013	Publication	Analytical and bioanalytical chemistry	Abbreviated Journal	Anal Bioanal Chem
	Volume	405	Issue	10	Pages	3341-3350
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Iron (Fe) is an essential element for plant growth and development; hence determining Fe distribution and concentration inside plant organs at the microscopic level is of great relevance to better understand its metabolism and bioavailability through the food chain. Among the available microanalytical techniques, synchrotron mu-XRF methods can provide a powerful and versatile array of analytical tools to study Fe distribution within plant samples. In the last years, the implementation of new algorithms and detection technologies has opened the way to more accurate (semi)quantitative analyses of complex matrices like plant materials. In this paper, for the first time the distribution of Fe within tomato roots has been imaged and quantified by means of confocal mu-XRF and exploiting a recently developed fundamental parameter-based algorithm. With this approach, Fe concentrations ranging from few hundreds of ppb to several hundreds of ppm can be determined at the microscopic level without cutting sections. Furthermore, Fe (semi)quantitative distribution maps were obtained for the first time by using two opposing detectors to collect simultaneously the XRF radiation emerging from both sides of an intact cucumber leaf.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000316338700033	Publication Date	2013-02-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1618-2642	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.431	Times cited	27	Open Access
	Notes	; Research was supported by grants from Italian MIUR (FIRB-Programma “Futuro in Ricerca”) and Free University of Bolzano (TN5046 and TN5056). Synchrotron experiments at HASY-LAB were financially supported by the European Community Research Infrastructure Action under the FP6 “Structuring the European Research Area” Program I (Integrating Activity on Synchrotron and Free Electron Laser Science; project: contract RII3-CT-2004-506008). Matthias Alfeld receives a Ph.D. fellowship of the Research Foundation-Flanders (FWO). We thank Karen Rickers-Appel for her scientific and technical support in obtaining the experimental data at Beamline L (HASYLAB, DESY, Hamburg, Germany). ;			Approved	Most recent IF: 3.431; 2013 IF: 3.578
	Call Number	UA @ admin @ c:irua:108261			Serial	5838
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	Author	Batuk, M.; Batuk, D.; Tsirlin, A.A.; Rozova, M.G.; Antipov, E.V.; Hadermann, J.; Van Tendeloo, G.
	Title	Homologous series of layered perovskites A_n+1B_nO_3n-1Cl : crystal and magnetic structure of a new oxychloride Pb₄BiFe₄O₁₁Cl			Type	A1 Journal article
	Year	2013	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	52	Issue	4	Pages	2208-2218
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The nuclear and magnetic structure of a novel oxychloride Pb4BiFe4O11Cl has been studied over the temperature range 1.5700 K using a combination of transmission electron microscopy and synchrotron and neutron powder diffraction [space group P4/mbm, a = 5.5311(1) Å, c = 19.586(1) Å, T = 300 K]. Pb4BiFe4O11Cl is built of truncated (Pb,Bi)3Fe4O11 quadruple perovskite blocks separated by CsCl-type (Pb,Bi)2Cl slabs. The perovskite blocks consist of two layers of FeO6 octahedra located between two layers of FeO5 tetragonal pyramids. The FeO6 octahedra rotate about the c axis, resulting in a √2ap × √2ap × c superstructure. Below TN = 595(17) K, Pb4BiFe4O11Cl adopts a G-type antiferromagnetic structure with the iron magnetic moments confined to the ab plane. The ordered magnetic moments at 1.5 K are 3.93(3) and 3.62(4) μB on the octahedral and square-pyramidal iron sites, respectively. Pb4BiFe4O11Cl can be considered a member of the perovskite-based An+1BnO3n1Cl homologous series (A = Pb/Bi; B = Fe) with n = 4. The formation of a subsequent member of the series with n = 5 is also demonstrated.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000315255200067	Publication Date	2013-02-05
	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	6	Open Access
	Notes	Countatoms			Approved	Most recent IF: 4.857; 2013 IF: 4.794
	Call Number	UA @ lucian @ c:irua:106185			Serial	1486
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	Author	Subban, C.V.; Ati, M.; Rousse, G.; Abakumov, A.M.; Van Tendeloo, G.; Janot, R.; Tarascon, J.-M.
	Title	Preparation, structure, and electrochemistry of layered polyanionic hydroxysulfates : LiMSO₄OH (M = Fe, Co, Mn) electrodes for Li-Ion batteries			Type	A1 Journal article
	Year	2013	Publication	Journal of the American Chemical Society	Abbreviated Journal	J Am Chem Soc
	Volume	135	Issue	9	Pages	3653-3661
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The Li-ion rechargeable battery, due to its high energy density, has driven remarkable advances in portable electronics. Moving toward more sustainable electrodes could make this technology even more attractive to large-volume applications. We present here a new family of 3d-metal hydroxysulfates of general formula LiMSO4OH (M = Fe, Co, and Mn) among which (i) LiFeSO4OH reversibly releases 0.7 Li+ at an average potential of 3.6 V vs Li+/Li-0, slightly higher than the potential of currently lauded LiFePO4 (3.45 V) electrode material, and (ii) LiCoSO4OH shows a redox activity at 4.7 V vs Li+/Li-0. Besides, these compounds can be easily made at temperatures near 200 degrees C via a synthesis process that enlists a new intermediate phase of composition M-3(SO4)(2)(OH)(2) (M = Fe, Co, Mn, and Ni), related to the mineral caminite. Structurally, we found that LiFeSO4OH is a layered phase unlike the previously reported 3.2 V tavorite LiFeSO4OH. This work should provide an impetus to experimentalists for designing better electrolytes to fully tap the capacity of high-voltage Co-based hydroxysulfates, and to theorists for providing a means to predict the electrochemical redox activity of two polymorphs.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000315936700056	Publication Date	2013-02-01
	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	53	Open Access
	Notes				Approved	Most recent IF: 13.858; 2013 IF: 11.444
	Call Number	UA @ lucian @ c:irua:108283			Serial	2708
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	Author	Houssa, M.; van den Broek, B.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A.
	Title	An electric field tunable energy band gap at silicene/(0001) ZnS interfaces			Type	A1 Journal article
	Year	2013	Publication	Physical chemistry, chemical physics	Abbreviated Journal	Phys Chem Chem Phys
	Volume	15	Issue	11	Pages	3702-3705
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The interaction of silicene, the silicon counterpart of graphene, with (0001) ZnS surfaces is investigated theoretically, using first-principles simulations. The charge transfer occurring at the silicene/(0001) ZnS interface leads to the opening of an indirect energy band gap of about 0.7 eV in silicene. Remarkably, the nature (indirect or direct) and magnitude of the energy band gap of silicene can be controlled by an external electric field: the energy gap is predicted to become direct for electric fields larger than about 0.5 V angstrom(-1), and the direct energy gap decreases approximately linearly with the applied electric field. The predicted electric field tunable energy band gap of the silicene/(0001) ZnS interface is very promising for its potential use in nanoelectronic devices.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000315165100002	Publication Date	2013-01-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1463-9076;1463-9084;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.123	Times cited	74	Open Access
	Notes				Approved	Most recent IF: 4.123; 2013 IF: 4.198
	Call Number	UA @ lucian @ c:irua:107702			Serial	94
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	Author	De Keersmaecker, M.; De Wael, K.; Adriaens, A.
	Title	Influence of the deposition method, temperature and deposition time on the corrosion inhibition of lead dodecanoate coatings deposited on lead surfaces			Type	A1 Journal article
	Year	2013	Publication	Journal of solid state electrochemistry	Abbreviated Journal	J Solid State Electr
	Volume	17	Issue	5	Pages	1259-1269
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Electrochemical impedance measurements have been used to investigate the influence of the deposition method, including time and temperature, upon the corrosion inhibition characteristics of lead dodecanoate coatings on lead electrodes. The results were analysed using multivariate statistics and show that, in general, these easily prepared coatings are very protective against corrosion. The temperature proves to be an important parameter for the quality and the corrosion inhibition efficiency of the coating. A comparison between two different electrochemically assisted deposition methods, immersion using a reduction pretreatment and cyclic voltammetry, does not show significant differences. Using the immersion technique at room temperature, the deposition time was tested as the third influencing parameter for the corrosion inhibition efficiency of the deposited lead dodecanoate coatings. A longer deposition time of the lead into the sodium dodecanoate solution provides a layer with a somewhat higher corrosion resistance.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000320374300001	Publication Date	2013-01-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1432-8488	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.316	Times cited	4	Open Access
	Notes	; The Research Foundation-Flanders (FWO)- and Ghent University are acknowledged for the funding of this work. The authors would also like to thank Pieter van Hoe for the construction of the lead electrodes. ;			Approved	Most recent IF: 2.316; 2013 IF: 2.234
	Call Number	UA @ admin @ c:irua:105278			Serial	5663
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	Author	Kirsanova, M.A.; Mori, T.; Maruyama, S.; Matveeva; Batuk, D.; Abakumov, A.M.; Gerasimenko, A.V.; Olenev, A.V.; Grin, Y.; Shevelkov, A.V.
	Title	Synthesis, structure, and transport properties of type-I derived clathrate Ge_46-xP_xSe_8-y (x=15.4(1); y=0-2.65) with diverse host-guest bonding			Type	A1 Journal article
	Year	2013	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	52	Issue	2	Pages	577-588
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A first clathrate compound with selenium guest atoms, [Ge46-xPx]Se8-y square(y) (x = 15.4(1); y = 0-2.65; square denotes a vacancy), was synthesized as a single-phase and structurally characterized. It crystallizes in the space group Fm (3) over bar with the unit cell parameter a varying from 20.310(2) to 20.406(2) angstrom and corresponding to a 2 x 2 x 2 supercell of a usual clathrate-I structure. The superstructure is formed due to the symmetrical arrangement of the three-bonded framework atoms appearing as a result of the framework transformation of the parent clathrate-I structure. Selenium guest atoms occupy two types of polyhedral cages inside the positively charged framework; all selenium atoms in the larger cages form a single covalent bond with the framework atoms, relating the title compounds to a scanty family of semiclathrates. According to the measurements of electrical resistivity and Seebeck coefficient, [Ge46-xPx]Se8-y square(y) is an n-type semiconductor with E-g = 0.41 eV for x = 15.4(1) and y = 0; it demonstrates the maximal thermoelectric power factor of 2.3 x 10(-5) W K-2 m(-1) at 660 K.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000314007500010	Publication Date	2012-12-31
	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	14	Open Access
	Notes				Approved	Most recent IF: 4.857; 2013 IF: 4.794
	Call Number	UA @ lucian @ c:irua:107689			Serial	3463
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	Author	Ovsyannikov, S.V.; Abakumov, A.M.; Tsirlin, A.A.; Schnelle, W.; Egoavil, R.; Verbeeck, J.; Van Tendeloo, G.; Glazyrin, K.V.; Hanfland, M.; Dubrovinsky, L.
	Title	Perovskite-like Mn₂O₃ : a path to new manganites			Type	A1 Journal article
	Year	2013	Publication	Angewandte Chemie	Abbreviated Journal	Angew Chem Int Edit
	Volume	52	Issue	5	Pages	1494-1498
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Korund-artiges ε-Mn2O3 und Perowskit-artiges ζ-Mn2O3, zwei neue Phasen von Mn2O3, wurden unter hohen Drücken bei hohen Temperaturen synthetisiert. Die Manganatome können vollständig die A- und B-Positionen der Perowskitstruktur besetzen. ζ-Mn2O3 (siehe Bild, A-Positionsordnung) enthält Mn in den drei Oxidationsstufen +II, +III und +IV.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000313913300027	Publication Date	2012-12-22
	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	84	Open Access
	Notes	This work was supported by the DFG (project OV-110/1-1), Alexander von Humboldt foundation, European Union Council (FP7)-Grant no. 246102 IFOX, European Research Council (FP7)-ERC Starting Grant no. 278510 VORTEX and ERC Grant no. 246791-COUNTATOMS, and Hercules fund from the Flemish Government. ECASJO_;			Approved	Most recent IF: 11.994; 2013 IF: 11.336
	Call Number	UA @ lucian @ c:irua:108765UA @ admin @ c:irua:108765			Serial	2573
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	Author	Neyts, E.C.; Bogaerts, A.
	Title	Combining molecular dynamics with Monte Carlo simulations : implementations and applications			Type	A1 Journal article
	Year	2013	Publication	Theoretical chemistry accounts : theory, computation, and modeling	Abbreviated Journal	Theor Chem Acc
	Volume	132	Issue	2	Pages	1320-12
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	In this contribution, we present an overview of the various techniques for combining atomistic molecular dynamics with Monte Carlo simulations, mainly in the context of condensed matter systems, as well as a brief summary of the main accelerated dynamics techniques. Special attention is given to the force bias Monte Carlo technique and its combination with molecular dynamics, in view of promising recent developments, including a definable timescale. Various examples of the application of combined molecular dynamics / Monte Carlo simulations are given, in order to demonstrate the enhanced simulation efficiency with respect to either pure molecular dynamics or Monte Carlo.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000318294700010	Publication Date	2012-12-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1432-881X;1432-2234;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.89	Times cited	27	Open Access
	Notes				Approved	Most recent IF: 1.89; 2013 IF: 2.143
	Call Number	UA @ lucian @ c:irua:104725			Serial	404
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	Author	Massobrio, C.; Djimbi, D.M.; Matsubara, M.; Scipioni, R.; Boero, M.
	Title	Stability of Ge₁₂C₄₈ and Ge₂₀C₄₀ heterofullerenes : a first principles molecular dynamics study			Type	A1 Journal article
	Year	2013	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	556	Issue		Pages	163-167
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	By using first-principles molecular dynamics, we address the issue of structural stability for the C-60 Ge-m(m) family of doped heterofullerenes through a set of calculations targeting C48Ge12 and C40Ge20. Three kinds of theoretical tools are employed: (a) static structural optimization, (b) a bonding analysis based on localized orbitals (Wannier wavefunctions and centers) and (c) first-principles molecular dynamics at finite temperature. This latter tool allows concluding that the segregated form of C40Ge20 is less stable than its Si-based counterpart. However, the non-segregated forms of C40Ge20 and C40Si20 have comparable stabilities at finite temperatures. (C) 2012 Elsevier B. V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000313644100032	Publication Date	2012-11-28
	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	3	Open Access
	Notes				Approved	Most recent IF: 1.815; 2013 IF: 1.991
	Call Number	UA @ lucian @ c:irua:110085			Serial	3132
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	Author	Vasiliev, R.B.; Babynina, A.V.; Maslova, O.A.; Rumyantseva, M.N.; Ryabova, L.I.; Dobrovolsky, A.A.; Drozdov, K.A.; Khokhlov, D.R.; Abakumov, A.M.; Gaskov, A.M.
	Title	Photoconductivity of nanocrystalline SnO₂ sensitized with colloidal CdSe quantum dots			Type	A1 Journal article
	Year	2013	Publication	Journal of materials chemistry C : materials for optical and electronic devices	Abbreviated Journal	J Mater Chem C
	Volume	1	Issue	5	Pages	1005-1010
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A highly reproducible photoresponse is observed in nanocrystalline SnO2 thick films sensitized with CdSe quantum dots. The effect of the SnO2 matrix microstructure on the photoconductivity kinetics and photoresponse amplitude is demonstrated. The photoresponse of the sensitized SnO2 thick films reaches more than two orders of magnitude under illumination with the wavelength of the excitonic transition of the quantum dots. Long-term photoconductivity kinetics and photoresponse dependence on illumination intensity reveal power-law behavior inherent to the disordered nature of SnO2. The photoconductivity of the samples rises with the coarsening of the granular structure of the SnO2 matrix. At the saturation region, the photoresponse amplitude remains stable under 10(4) pulses of illumination switching, demonstrating a remarkably high stability.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000314803600016	Publication Date	2012-11-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2050-7526;2050-7534;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.256	Times cited	13	Open Access
	Notes				Approved	Most recent IF: 5.256; 2013 IF: NA
	Call Number	UA @ lucian @ c:irua:107705			Serial	2610
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	Author	Bings, N.H.; Bogaerts, A.; Broekaert, J.A.C.
	Title	Atomic spectroscopy			Type	A1 Journal article
	Year	2013	Publication	Analytical chemistry	Abbreviated Journal	Anal Chem
	Volume	85	Issue	2	Pages	670-704
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000313668400013	Publication Date	2012-11-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-2700;1520-6882;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.32	Times cited	29	Open Access
	Notes				Approved	Most recent IF: 6.32; 2013 IF: 5.825
	Call Number	UA @ lucian @ c:irua:104719			Serial	190
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	Author	Kalidindi, S.B.; Wiktor, C.; Ramakrishnan, A.; Weßing, J.; Schneemann, A.; Van Tendeloo, G.; Fischer, R.A.
	Title	Lewis base mediated efficient synthesis and solvation-like host-guest chemistry of covalent organic framework-1			Type	A1 Journal article
	Year	2013	Publication	Chemical communications	Abbreviated Journal	Chem Commun
	Volume	49	Issue	5	Pages	463-465
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	N-Lewis base mediated room temperature synthesis of covalent organic frameworks (COFs) starting from a solution of building blocks instead of partially soluble building blocks was developed. This protocol shifts COF synthetic chemistry from sealed tubes to open beakers. Non-conventional inclusion compounds of COF-1 were obtained by vapor phase infiltration of ferrocene and azobenzene, and solvation like effects were established.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000312193100007	Publication Date	2012-11-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-7345;1364-548X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.319	Times cited	17	Open Access
	Notes	262348 Esmi			Approved	Most recent IF: 6.319; 2013 IF: 6.718
	Call Number	UA @ lucian @ c:irua:105953			Serial	1815
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	Author	Buczyńska, A.J.; Geypens, B.; Van Grieken, R.; De Wael, K.
	Title	Stable carbon isotopic ratio measurement of polycyclic aromatic hydrocarbons as a tool for source identification and apportionment : a review of analytical methodologies			Type	A1 Journal article
	Year	2013	Publication	Talanta : the international journal of pure and applied analytical chemistry	Abbreviated Journal	Talanta
	Volume	105	Issue		Pages	435-450
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	The measurement of the ratio of stable isotopes of carbon (13C/12C expressed as a δ13C) in the individual components of a sample may be used as a means to identify the origin of these components. This article reviews the approaches and reports on the successes and failures of source identification and apportionment of Polycyclic Aromatic Hydrocarbons (PAHs) with the use of compound-specific isotope analysis (CSIA). One of the conditions for a precise and accurate analysis of isotope ratios with the use of GC-C-IRMS is the need for well separated peaks, with no co-elutions, and reduced unresolved complex mixture (UCM). Additionally, special care needs to be taken for an investigation of possible isotope fractionation effects introduced during the analytical treatment of samples. With the above-mentioned problems in mind, this review discusses in detail and compares current laboratory methodologies, mainly in the extraction and subsequent clean-up techniques used for environmental samples (air particulate matter, soil and sediments). Sampling strategies, the use of isotopic internal standards and the ranges for precision and accuracy are also reported and discussed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000319088500064	Publication Date	2012-10-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0039-9140; 1873-3573	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.162	Times cited	19	Open Access
	Notes	; ;			Approved	Most recent IF: 4.162; 2013 IF: 3.511
	Call Number	UA @ admin @ c:irua:102091			Serial	5845
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	Author	Jabłoński, M.B.; Stefaniak, E.A.; Darchuk, L.; Turzańska, K.; Gorzelak, M.; Kuduk, R.; Dorriné, W.; Van Grieken, R.
	Title	Microchemical investigation of bone derived from mice treated with strontium in different chemical forms using scanning electron microscopy and micro-Raman spectroscopy			Type	A1 Journal article
	Year	2013	Publication	Microchemical journal	Abbreviated Journal
	Volume	108	Issue		Pages	168-173
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	We used SEM/EDX and micro-Raman spectroscopy to investigate the chemical changes (both on the level of elementary and molecular composition) of mice bones when strontium is incorporated in their microstructure after being administered in the form of two salts: chloride and ranelate. Strontium accumulated mainly in vicinity of bone edges, both cortical and close to bone marrow. The distribution of other elements comprising bone samples (Ca, P, Mg, K etc.) was also determined by energy-dispersive X-ray analysis (EDX). The area adjacent to a cortical bone edge with accumulated strontium has presented modified Raman spectral profiles. Besides most of the Raman bands typical for both mineral (hydroxyapatite with carbonate substitution type B) and organic phases of a bone, we observed a Raman band at 811 cm− 1. It was detected regularly in the sample with high strontium concentration.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000316427100027	Publication Date	2012-10-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0026-265x; 0026-265x	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:107882			Serial	8246
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	Author	Van Eynde, E.; Tytgat, T.; Smits, M.; Verbruggen, S.W.; Hauchecorne, B.; Lenaerts, S.
	Title	Biotemplated diatom silica-titania materials for air purification			Type	A1 Journal article
	Year	2013	Publication	Photochemical & photobiological sciences	Abbreviated Journal	Photoch Photobio Sci
	Volume	12	Issue	4	Pages	690-695
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	We present a novel manufacture route for silicatitania photocatalysts using the diatom microalga Pinnularia sp. Diatoms self-assemble into porous silica cell walls, called frustules, with periodic micro-, meso- and macroscale features. This unique hierarchical porous structure of the diatom frustule is used as a biotemplate to incorporate titania by a solgel methodology. Important material characteristics of the modified diatom frustules under study are morphology, crystallinity, surface area, pore size and optical properties. The produced biosilicatitania material is evaluated towards photocatalytic activity for NOx abatement under UV radiation. This research is the first step to obtain sustainable, well-immobilised silicatitania photocatalysts using diatoms.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000316572500016	Publication Date	2012-10-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1474-905x; 1474-9092	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.344	Times cited	18	Open Access
	Notes	; ;			Approved	Most recent IF: 2.344; 2013 IF: 2.939
	Call Number	UA @ admin @ c:irua:106625			Serial	5930
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	Author	Monico, L.; Janssens, K.; Miliani, C.; van der Snickt, G.; Brunetti, B.G.; Guidi, M.C.; Radepont, M.; Cotte, M.
	Title	Degradation process of lead chromate in paintings by Vincent van Gogh studied by means of spectromicroscopic methods : 4 : artificial aging of model samples of co-precipitates of lead chromate and lead sulfate			Type	A1 Journal article
	Year	2013	Publication	Analytical chemistry	Abbreviated Journal	Anal Chem
	Volume	85	Issue	2	Pages	860-867
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Previous investigations about the darkening of chrome yellow pigments revealed that this form of alteration is attributable to a reduction of the original Cr(VI) to Cr(III), and that the presence of sulfur-containing compounds, most often sulfates, plays a key role during this process. We recently demonstrated that different crystal forms of chrome yellow pigments (PbCrO4 and PbCr1xSxO4) are present in paintings by Vincent van Gogh. In the present work, we show how both the chemical composition and the crystalline structure of lead chromate-based pigments influence their stability. For this purpose, oil model samples made with in-house synthesized powders of PbCrO4 and PbCr1xSxO4 were artificially aged and characterized. We observed a profound darkening only for those paint models made with PbCr1xSxO4, rich in SO42 (x ≥ 0.4), and orthorhombic phases (>30 wt %). Cr and S K-edge micro X-ray absorption near edge structure investigations revealed in an unequivocal manner the formation of up to about 60% of Cr(III)-species in the outer layer of the most altered samples; conversely, independent of the paint models chemical composition, no change in the S-oxidation state was observed. Analyses employing UVvisible diffuse reflectance and Fourier transform infrared spectroscopy were performed on unaged and aged model samples in order to obtain additional information on the physicochemical changes induced by the aging treatment.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000313668400032	Publication Date	2012-10-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-2700; 5206-882x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.32	Times cited	49	Open Access
	Notes	; This research was supported by grants from ESRF (experiment EC-799), the Interuniversity Attraction Poles Programme-Belgian Science Policy (IUAP VI/16), and the BELSPO-SDD S2-ART (SD/RI/04) project. The text also presents results from GOA “XANES meets ELNES” (Research Fund University of Antwerp, Belgium) and FWO (Brussels, Belgium) projects G.0704.08 and G.01769.09. The EU FP7 programme CHARISMA (Grant Agreement 228330) and MIUR (PRIN08, Materiali e sistemi innovativi per la conservazione dell'arte contemporanea 2008 FFXXN9) are also acknowledged. ;			Approved	Most recent IF: 6.32; 2013 IF: 5.825
	Call Number	UA @ admin @ c:irua:110471			Serial	5569
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	Author	Monico, L.; Janssens, K.; Miliani, C.; Brunetti, B.G.; Vagnini, M.; Vanmeert, F.; Falkenberg, G.; Abakumov, A.; Lu, Y.; Tian, H.; Verbeeck, J.; Radepont, M.; Cotte, M.; Hendriks, E.; Geldof, M.; van der Loeff, L.; Salvant, J.; Menu, M.;
	Title	Degradation process of lead chromate in paintings by Vincent van Gogh studied by means of spectromicroscopic methods : 3 : synthesis, characterization, and detection of different crystal forms of the chrome yellow pigment			Type	A1 Journal article
	Year	2013	Publication	Analytical chemistry	Abbreviated Journal	Anal Chem
	Volume	85	Issue	2	Pages	860-867
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	The painter, Vincent van Gogh, and some of his contemporaries frequently made use of the pigment chrome yellow that is known to show a tendency toward darkening. This pigment may correspond to various chemical compounds such as PbCrO4 and PbCr1-xSxO4, that may each be present in various crystallographic forms with different tendencies toward degradation. Investigations by X-ray diffraction (XRD), mid-Fourier Transform infrared (FTIR), and Raman instruments (benchtop and portable) and synchrotron radiation-based micro-XRD and X-ray absorption near edge structure spectroscopy performed on oil-paint models, prepared with in-house synthesized PbCrO4 and PbCr1-xSxO4, permitted us to characterize the spectroscopic features of the various forms. On the basis of these results, an extended study has been carried out on historic paint tubes and on embedded paint microsamples taken from yellow-orange/pale yellow areas of 12 Van Gogh paintings, demonstrating that Van Gogh effectively made use of different chrome yellow types. This conclusion was also confirmed by in situ mid-FTIR investigations on Van Goghs Portrait of Gauguin (Van Gogh Museum, Amsterdam).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000313668400031	Publication Date	2012-10-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-2700;1520-6882;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.32	Times cited	79	Open Access
	Notes	Goa; Fwo			Approved	Most recent IF: 6.32; 2013 IF: 5.825
	Call Number	UA @ lucian @ c:irua:108707UA @ admin @ c:irua:108707			Serial	631
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