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Author |
Badalov, S.V.; Yagmurcukardes, M.; Peeters, F.M.; Sahin, H. |
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Title |
Enhanced stability of single-layer w-Gallenene through hydrogenation |
Type |
A1 Journal article |
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Year  |
2018 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
122 |
Issue |
49 |
Pages |
28302-28309 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Using density functional theory based first-principles calculations, the effect of surface hydrogenation on the structural, dynamical, electronic, and mechanical properties of monolayer washboard-gallenene (w-gallenene) is investigated. It is found that the dynamically stabilized strained monolayer of w-gallenene has a metallic nonmagnetic ground state. Both one-sided and two-sided hydrogenations of w-gallenene suppress its dynamical instability even when unstrained. Unlike one-sided hydrogenated monolayer w-gallenene (os-w-gallenene), two-sided hydrogenated monolayer w-gallenene (ts-w-gallenene) possesses the same crystal structure as w-gallenene. Electronic band structure calculations reveal that monolayers of hydrogenated derivatives of w-gallenene exhibit also metallic nonmagnetic ground state. Moreover, the linear-elastic constants, in-plane stiffness and Poisson ratio, are enhanced by hydrogenation, which is opposite to the behavior of other hydrogenated monolayer crystals. Furthermore, monolayer w-gallenene and ts-w-gallenene remain dynamically stable up to relatively higher biaxial strains as compared to borophene. With its enhanced dynamical stability, robust metallic character, and enhanced linear-elastic properties, hydrogenated monolayer w-gallenene is a potential candidate for nanodevice applications as a two-dimensional flexible metal. |
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Wos |
000453488300053 |
Publication Date |
2018-11-12 |
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Edition |
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ISSN |
1932-7447; 1932-7455 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
20 |
Open Access |
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Notes |
; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges support from Turkish Academy of Sciences under the GEBIP program. This work was supported by FLAG-ERA project TRANS-2D-TMD. This work is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ; |
Approved |
Most recent IF: 4.536 |
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Call Number |
UA @ admin @ c:irua:156229 |
Serial |
5210 |
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Author |
De Sloovere, D.; Safari, M.; Elen, K.; D'Haen, J.; Drozhzhin, O.A.; Abakumov, A.M.; Simenas, M.; Banys, J.; Bekaert, J.; Partoens, B.; Van Bael, M.K.; Hardy, A. |
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Title |
Reduced Na2+xTi4O9 composite : a durable anode for sodium-ion batteries |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
30 |
Issue |
23 |
Pages |
8521-8527 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Sodium-ion batteries (SIBs) are potential cost-effective solutions for stationary energy storage applications. Unavailability of suitable anode materials, however, is one of the important barriers to the maturity of SIBs. Here, we report a Na2+xTi4O9/C composite as a promising anode candidate for SIBs with high capacity and cycling stability. This anode is characterized by a capacity of 124 mAh g(-1) (plus 11 mAh g(-1) contributed by carbon black), an average discharge potential of 0.9 V vs Na/Na+, a good rate capability and a high stability (89% capacity retention after 250 cycles at a rate of 1 degrees C). The mechanisms of sodium insertion/deinsertion and of the formation of Na2+xTi4O9/C are investigated with the aid of various ex/in situ characterization techniques. The in situ formed carbon is necessary for the formation of the reduced sodium titanate. This synthesis method may enable the convenient synthesis of other composites of crystalline phases with amorphous carbon. |
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Wos |
000453489300014 |
Publication Date |
2018-11-29 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4756 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.466 |
Times cited |
7 |
Open Access |
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Notes |
; This work was supported by the FWO (Research Foundation Flanders, project G040116). O.A.D. and A.M.A. are grateful to the Russian Science Foundation for financial support (Grant 17-73-30006). The authors acknowledge Pieter Samyn for Raman spectroscopy, Fulya Ulu Okudur for preliminary TEM, Bart Ruttens for XRD, Hilde Pellaers for SEM, Tom Haeldermans for elemental analysis, and Karen Leyssen and Vera Meynen for physisorption measurements. ; |
Approved |
Most recent IF: 9.466 |
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Call Number |
UA @ admin @ c:irua:156235 |
Serial |
5227 |
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Author |
Tong, Y.; Fu, M.; Bladt, E.; Huang, H.; Richter, A.F.; Wang, K.; Mueller-Buschbaum, P.; Bals, S.; Tamarat, P.; Lounis, B.; Feldmann, J.; Polavarapu, L. |
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Title |
Chemical cutting of perovskite nanowires into single-photon emissive low-aspect-ratio CsPbX3(X = Cl, Br, I) nanorods |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
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Volume |
57 |
Issue |
57 |
Pages |
16094-16098 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Post-synthetic shape-transformation processes provide access to colloidal nanocrystal morphologies that are unattainable by direct synthetic routes. Herein, we report our finding about the ligand-induced fragmentation of CsPbBr3 perovskite nanowires (NWs) into low aspect-ratio CsPbX3 (X = Cl, Br and I) nanorods (NRs) during halide ion exchange reaction with PbX2-ligand solution. The shape transformation of NWs-to-NRs resulted in an increase of photoluminescence efficiency owing to a decrease of nonradiative decay rates. Importantly, we found that the perovskite NRs exhibit single photon emission as revealed by photon antibunching measurements, while it is not detected in parent NWs. This work not only reports on the quantum light emission of low aspect ratio perovskite NRs, but also expands our current understanding of shape-dependent optical properties of perovskite nanocrystals. |
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Wos |
000452235600024 |
Publication Date |
2018-10-12 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1433-7851; 0570-0833 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
11.994 |
Times cited |
70 |
Open Access |
OpenAccess |
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Notes |
; This work was supported by the Bavarian State Ministry of Science, Research, and Arts through the grant “Solar Technologies go Hybrid (SolTech)”, by the China Scholarship Council (Y.T. and K.W.), by the Horizon 2020 research and innovation program under the Marie Skodowska-Curie Grant Agreement COMPASS No. 691185 and by LMU Munich's Institutional Strategy LMU excellent (L.P., J.F.). M.F., P.T. and B.L. acknowledge the financial support from the French National Agency for Research, the French Excellence Initiative (Idex Bordeaux, LAPHIA Program) and the Institut Universitaire de France. E.B. and S.B. acknowledge the financial support from the European Research Council Starting Grant # 335078-COLOURATOMS. L.P. thank the EU Infrastructure Project EUSMI (European Union's Horizon 2020, grant No 731019). ; |
Approved |
Most recent IF: 11.994 |
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Call Number |
UA @ admin @ c:irua:156246 |
Serial |
5283 |
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Author |
Vermeulen, M.; Janssens, K.; Sanyova, J.; Rahemi, V.; McGlinchey, C.; De Wael, K. |
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Title |
Assessing the stability of arsenic sulfide pigments and influence of the binding media on their degradation by means of spectroscopic and electrochemical techniques |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Microchemical journal |
Abbreviated Journal |
Microchem J |
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Volume |
138 |
Issue |
138 |
Pages |
82-91 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
In this paper, we used the semiconducting and lightfastness properties of synthetic and mineral arsenic sulfide pigments to study their stability by means of electrochemical and microfadometric techniques. A combination of these techniques shows that in the early stage of the degradation process, amorphous arsenic sulfides are more stable than both crystalline forms, while upon longer exposure time, amorphous pigments will fade more than both mineral pigments, making it less suitable. While the stability study was carried out on unbound pigments, the influence of the organic binder on the relative degradation of the arsenic sulfide pigments was investigated through a multi-analytical approach on pigment/binder mock-up paint samples. For this purpose, the formation of arsenic trioxide was assessed by micro Fourier transform infrared (μ-FTIR) spectroscopy while the influence of the binder on the formation of sulfates was studied by means of synchrotron radiation X-ray near edge structure (μ-XANES). Both techniques elucidate a higher stability of all pigments in gum arabic while the use of egg yolk as binder leads to the most degradation, most likely due to its sulfur-rich composition. In the context of the degradation of arsenic sulfide pigments, other binders such as animal glue, egg white or linseed oil show an intermediate impact. |
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Wos |
000428103000010 |
Publication Date |
2018-01-06 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0026-265x; 0026-265x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.034 |
Times cited |
4 |
Open Access |
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Notes |
; This research is made possible with the support of the Belgian Science Policy Office (BELSPO, Brussels) through the research program Science for a Sustainable Development – SDD, “Long-term role and fate of metal-sulfides in painted works of art – S2ART” (grant number SD/RI/04A). We gratefully acknowledge Megane Willems (Institut Paul-Lambin) for her help with mu-FFIR analyses and realization of the mock-up paint samples. We acknowledge the Paul Scherrer Institut, Villigen, Switzerland for provision of synchrotron radiation beamtime at beamline Phoenix of the SLS. ; |
Approved |
Most recent IF: 3.034 |
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Call Number |
UA @ admin @ c:irua:150149 |
Serial |
5482 |
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Author |
Vanmeert, F.; Hendriks, E.; van der Snickt, G.; Monico, L.; Dik, J.; Janssens, K. |
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Title |
Chemical Mapping by Macroscopic X-ray Powder Diffraction (MA-XRPD) of Van Gogh's Sunflowers : identification of areas with higher degradation risk |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
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Volume |
57 |
Issue |
25 |
Pages |
7418-7422 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The discoloration rate of chrome yellow (CY), a class of synthetic inorganic pigments (PbCr1-xSxO4) frequently used by Van Gogh and his contemporaries, strongly depends on its sulfate content and on its crystalline structure (either monoclinic or orthorhombic). Macroscopic X-Ray powder diffraction imaging of selected areas on Van Gogh's Sunflowers (Van Gogh Museum, Amsterdam) revealed the presence of two subtypes of CY: the light-fast monoclinic PbCrO4 (LF-CY) and the light-sensitive monoclinic PbCr1-xSxO4 (x approximate to 0.5; LS-CY). The latter was encountered in large parts of the painting (e.g., in the pale-yellow background and the bright-yellow petals, but also in the green stems and flower hearts), thus indicating their higher risk for past or future darkening. Overall, it is present in more than 50% of the CY regions. Preferred orientation of LS-CY allows observation of a significant ordering of the elongated crystallites along the direction of Van Gogh's brush strokes. |
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Wos |
000434949200023 |
Publication Date |
2018-03-02 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1433-7851; 0570-0833 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
11.994 |
Times cited |
10 |
Open Access |
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Notes |
; The authors acknowledge financial support from BELSPO (Brussels) S2-ART, the NWO (The Hague) Science4Arts “ReVisRembrandt” project, the GOA Project Solarpaint (University of Antwerp Research Council), and the Interreg Smart*Light project. Raman analyses were performed using the European MOLAB platform, which is financially supported by the Horizon 2020 Programme (IPERION CH Grant 654028). The authors thank the staff of the Van Gogh Museum for their collaboration. ; |
Approved |
Most recent IF: 11.994 |
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Call Number |
UA @ admin @ c:irua:153185 |
Serial |
5517 |
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Author |
Hirayama, A.; Abe, Y.; van Loon, A.; De Keyser, N.; Noble, P.; Vanmeert, F.; Janssens, K.; Tantrakarn, K.; Taniguchi, K.; Nakai, I. |
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Title |
Development of a new portable X-ray powder diffractometer and its demonstration to on-site analysis of two selected old master paintings from the Rijksmuseum |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Microchemical journal |
Abbreviated Journal |
Microchem J |
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Volume |
138 |
Issue |
138 |
Pages |
266-272 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
A portable X-ray powder diffractometer (p-XRD) PT-APXRD III has been developed for onsite analysis of paintings and archaeological samples. By using a Cu anode X-ray tube and a silicon drift diode (SDD) detector, diffraction patterns with a high signalnoise (S/N) ratio can be recorded. The X-ray tube can be operated at a maximum voltage of 60 kV, which makes it possible to simultaneously record X-ray fluorescence spectra up to the high-energy region. The total weight of this instrument is 16 kg, which can be carried anywhere and the goniometer unit (5.6 kg) can be placed on a tripod for analysis of mural paintings. We brought the instrument to the Rijksmuseum in the Netherlands to examine its applicability for the analysis of oil paintings. We successfully analyzed two seventeenthcentury oil paintings by Johannes Vermeer and Jan Davidsz de Heem (copy after). Ultramarine blue, leadtin yellow type I, and Naples yellow were identified from the diffraction patterns, demonstrating the high practicality of this instrument. Furthermore, it was found from the SEM-EDX analysis of a paint cross section that the yellow pigment was applied in separate layers rather than being mixed. This diffractometer will be commercially available in the near future and will have many applications in the field of material analysis. (C) 2018 Elsevier B.V. All rights reserved. |
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Wos |
000428103000030 |
Publication Date |
2018-01-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0026-265x; 0026-265x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.034 |
Times cited |
2 |
Open Access |
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Notes |
; This research was conducted with the support of the JSPS (Tokyo, Japan)-FWO (Brussels, Belgium) bilateral exchange project. ; |
Approved |
Most recent IF: 3.034 |
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Call Number |
UA @ admin @ c:irua:151565 |
Serial |
5575 |
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Author |
van der Snickt, G.; Legrand, S.; Slama, I.; Van Zuien, E.; Gruber, G.; Van der Stighelen, K.; Klaassen, L.; Oberthaler, E.; Janssens, K. |
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Title |
In situ macro X-ray fluorescence (MA-XRF) scanning as a non-invasive tool to probe for subsurface modifications in paintings by PP Rubens |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Microchemical journal |
Abbreviated Journal |
Microchem J |
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Volume |
138 |
Issue |
138 |
Pages |
238-245 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Within the last decade, the established synchrotron- and laboratory-based micro-XRF scanning technology inspired the development of mobile instruments that allow performing in situ experiments on paintings on a macro scale. Since the development of the first mobile scanner at the start of this decade, this chemical imaging technique has brought new insights with respect to several iconic paintings, especially in cases when standard imaging techniques such as X-Ray Radiography (XRR) or Infrared Refiectography (IRR) yielded ambiguous results. The ability of scanning MA-XRF to visualise the distribution of elements detected at and below the paint surface renders this spectrometric method particularly helpful for studying painting techniques and revealing materials that remain hidden below the paint surface. The latter aspect is especially relevant for the technical study of works by Pieter Paul Rubens (1577-1640) as this highly productive seventeenth century master is particularly renowned for the continuous application of modifications during (and even after) the entire course of the creative process. In this work, the added value of MA-XRF scanning experiments for visualising these subsurface features is exemplified by interpreting the chemical images obtained on three of Rubens' key works. Special attention is given to three types of adjustments that are particularly relevant for the technical study of Rubens' oeuvre: (1) compositional changes ('pentimenti'), exemplified by results obtained on The Portrait of Helene Fourment (ca. 1638), (2) extensions to the support ('Anstlickungen.), illustrated by imaging experiments performed on the Venus Frigida (1614) and (3) Rubens' intriguing halos around flesh tones, as found amongst others in The Incredulity of Saint Thomas (1613). The ensuing insights in the paint stratigraphy and the underlying supporting structure illustrate the potential of MA-XRF scanning for the non-invasive, comparative study of Rubens' oeuvre. The results do not only augment the understanding of the complex genesis of Rubens' works of art and his efficient painting technique, but prove valuable during conservation treatments as well, as addressed in this paper. (C) 2018 Elsevier B.V. All rights reserved. |
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Wos |
000428103000027 |
Publication Date |
2018-01-17 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0026-265x; 0026-265x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.034 |
Times cited |
5 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.034 |
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Call Number |
UA @ admin @ c:irua:151564 |
Serial |
5657 |
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Author |
De Jong, M.; Florea, A.; de Vries, A.-M.; van Nuijs, A.L.N.; Covaci, A.; Van Durme, F.; Martins, J.C.; Samyn, N.; De Wael, K. |
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Title |
Levamisole : a common adulterant in cocaine street samples hindering electrochemical detection of cocaine |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
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Volume |
90 |
Issue |
8 |
Pages |
5290-5297 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre |
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Abstract |
The present work investigates the electrochemical determination of cocaine in the presence of levamisole, one of the most common adulterants found in cocaine street samples. Levamisole misleads cocaine color tests, giving a blue color (positive test) even in the absence of cocaine. Moreover, the electrochemical detection of cocaine is also affected by the presence of levamisole, with a suppression of the oxidation signal of cocaine. When levamisole is present in the sample in ratios higher than 1:1, the cocaine signal is no longer detected, thus leading to false negative results. Mass spectrometry and nuclear magnetic resonance were used to investigate if the signal suppression is due to the formation of a complex between cocaine and levamisole in bulk solution. Strategies to eliminate this suppressing effect are further suggested in this manuscript. In a first approach, the increase of the pH of the sample solution from pH 7 to pH 12 allowed the voltammetric determination of cocaine in the presence of levamisole in a concentration range from 10 to 5000 μM at nonmodified graphite disposable electrodes with a detection limit of 5 μM. In a second approach, the graphite electrode was cathodically pretreated, resulting in the presence of oxidation peaks of both cocaine and levamisole, with a detection limit for cocaine of 3 μM over the linear range of concentrations from 10 to 2500 μM. Both these strategies have been successfully applied for the simultaneous detection of cocaine and levamisole in three street samples on unmodified graphite disposable electrodes. |
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Wos |
000430512200049 |
Publication Date |
2018-02-23 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-2700; 5206-882x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.32 |
Times cited |
8 |
Open Access |
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Notes |
; This project has received funding from the European Union's Horizon 2020 Research and Innovation Programme under the Marie Sklodowska-Curie Grant Agreement No. 753223 Narcoreader. This work was also supported by BR/314/PI/ APTADRU Project and IOF-SBO (UAntwerp). Alexander van Nuijs acknowledges the Research Foundation-Flanders (FWO) for his postdoctoral fellowship. ; |
Approved |
Most recent IF: 6.32 |
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Call Number |
UA @ admin @ c:irua:149528 |
Serial |
5693 |
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Author |
Vanmeert, F.; de Nolf, W.; De Meyer, S.; Dik, J.; Janssens, K. |
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Title |
Macroscopic X-ray powder diffraction scanning, a new method for highly selective chemical imaging of works of art : instrument optimization |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
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Volume |
90 |
Issue |
11 |
Pages |
6436-6444 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
In the past decade macroscopic X-ray fluorescence imaging (MA-XRF) has become established as a method for the noninvasive investigation of flat painted surfaces, yielding large scale elemental maps. MA-XRF is limited by a lack of specificity, only allowing for indirect pigment identification based on the simultaneous presence of chemical elements. The high specificity of X-ray powder diffraction (XRPD) mapping is already being exploited at synchrotron facilities for investigations at the (sub)microscopic scale, but the technique has not yet been employed using lab sources. In this paper we present the development of a novel MA-XRPD/XRF instrument based on a laboratory X-ray source. Several combinations of X-ray sources and area detectors are evaluated in terms of their spatial and angular resolution and their sensitivity. The highly specific imaging capability of the combined MA-XRPD/XRF instrument is demonstrated on a 15th/16th century illuminated manuscript directly revealing the distribution of a large number of inorganic pigments, including the uncommon yellow pigment massicot (o-PbO). The case study illustrates the wealth of new mapping information that can be obtained in a noninvasive manner using the laboratory MA-XRPD/XRF instrument. |
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Wos |
000434893200019 |
Publication Date |
2018-04-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-2700; 5206-882x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
6.32 |
Times cited |
11 |
Open Access |
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Notes |
; The authors thank the persons involved at Incoatec GmbH, imXPAD SAS and Dectris Ltd. for loaning us some of their products over the past years. We acknowledge financial support from BELSPO (Brussels) S2-ART, the NWO (The Hague) Science4Arts “ReVisRembrandt” Project and GOA Project Solarpaint (University of Antwerp Research Council). Photo Copyright Geert Van der Snickt, 2008 for the photograph of the illuminated manuscript in the TOC graphic. ; |
Approved |
Most recent IF: 6.32 |
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Call Number |
UA @ admin @ c:irua:151993 |
Serial |
5701 |
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| Permanent link to this record |
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Author |
Vanmeert, F.; de Nolf, W.; Dik, J.; Janssens, K. |
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Title |
Macroscopic X-ray powder diffraction scanning : possibilities for quantitative and depth-selective parchment analysis |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
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| |
Volume |
90 |
Issue |
11 |
Pages |
6445-6452 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
At or below the surface of painted works of art, valuable information is present that provides insights into an objects past, such as the artists technique and the creative process that was followed or its conservation history but also on its current state of preservation. Various noninvasive techniques have been developed over the past 2 decades that can probe this information either locally (via point analysis) or on a macroscopic scale (e.g., full-field imaging and raster scanning). Recently macroscopic X-ray powder diffraction (MA-XRPD) mapping using laboratory X-ray sources was developed. This method can visualize highly specific chemical distributions at the macroscale (dm(2)). In this work we demonstrate the synergy between the quantitative aspects of powder diffraction and the noninvasive scanning capability of MA-XRPD highlighting the potential of the method to reveal new types of information. Quantitative data derived from a 15th/16th century illuminated sheet of parchment revealed three lead white pigments with different hydrocerussite-cerussite compositions in specific pictorial elements, while quantification analysis of impurities in the blue azurite pigment revealed two distinct azurite types: one rich in barite and one in quartz. Furthermore, on the same artifact, the depth-selective possibilities of the method that stem from an exploitation of the shift of the measured diffraction peaks with respect to reference data are highlighted. The influence of different experimental parameters on the depth-selective analysis results is briefly discussed. Promising stratigraphic information could be obtained, even though the analysis is hampered by not completely understood variations in the unit cell dimensions of the crystalline pigment phases. |
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Place of Publication |
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Editor |
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Wos |
000434893200020 |
Publication Date |
2018-04-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-2700; 5206-882x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.32 |
Times cited |
6 |
Open Access |
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Notes |
; The authors thank Incoatec GmbH for giving us the opportunity to test the I mu S Cu X-ray source. We acknowledge financial support from BELSPO (Brussels) S2-ART, the NWO (The Hague) Science4Arts “ReVisRembrandt” project, and GOA Project Solarpaint (University of Antwerp Research Council). Photo Copyright Geert Van der Snickt, 2008 for the photograph of the illuminated manuscript in the TOC graphic. ; |
Approved |
Most recent IF: 6.32 |
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Call Number |
UA @ admin @ c:irua:151994 |
Serial |
5702 |
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| Permanent link to this record |
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Author |
Legrand, S.; Ricciardi, P.; Nodari, L.; Janssens, K. |
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Title |
Non-invasive analysis of a 15th century illuminated manuscript fragment: point-based vs imaging spectroscopy |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Microchemical journal |
Abbreviated Journal |
Microchem J |
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| |
Volume |
138 |
Issue |
138 |
Pages |
162-172 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Illuminated manuscript fragments are some of the best preserved objects of Western cultural heritage. Therefore, scholars are limited to non-invasive – often point-based – methods, to answer questions on material usage, technique, origin and previous treatments. These powerful methods yield specific information; however, the information is limited to the number of points analyzed. Imaging spectroscopies such as MA-XRF and MA-rFTIR combine specificity with the power of imaging, resulting in distribution images that are interpretable by non-spectroscopists and the public at large. In this paper the possible added value of using imaging spectroscopy is discussed. Do these methods yield the same results as an extensive point-based spectroscopic campaign and can they bring novel information? As a case study, a 15th century illuminated manuscript fragment is employed in order to explore the differences between these approaches and present an inventory of their advantages and limitations. (C) 2018 Elsevier B.V. All rights reserved. |
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Place of Publication |
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Wos |
000428103000019 |
Publication Date |
2018-01-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0026-265x; 0026-265x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.034 |
Times cited |
12 |
Open Access |
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Notes |
; The authors wish to thank Dr. Stella Panayotova, Keeper of Manuscripts and Printed Books at the Fitzwilliam Museum, for allowing technical analysis of the manuscript fragment, and Dr. Suzanne Reynolds, Assistant Keeper of Manuscripts and Printed Books, for crucial help in identifying the text on the reverse of the fragment and its significance. We also wish to thank Prof. Andrew Beeby and Dr. Catherine Nicholson for their complementary Raman analyses. The warm hospitality of the Hamilton Kerr Institute is also gratefully acknowledged. The Esmee Fairbairn Collections Fund and Cambridge University's Returning Carers Scheme provided funding for part of this research. SL and KJ acknowledge support from project METOX (contract BR/165/A6/MetOx), BELSPO, Brussels. ; |
Approved |
Most recent IF: 3.034 |
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Call Number |
UA @ admin @ c:irua:151563 |
Serial |
5749 |
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| Permanent link to this record |
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Author |
Miliani, C.; Monico, L.; Melo, M.J.; Fantacci, S.; Angelin, E.M.; Romani, A.; Janssens, K. |
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Title |
Photochemistry of Artists' Dyes and Pigments : towards better understanding and prevention of colour change in works of art |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
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Volume |
57 |
Issue |
25 |
Pages |
7324-7334 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The absorption of light gives a pigment its colour and its reason for being, but it also creates excited states, that is, new molecules with an energy excess that can be dissipated through degradation pathways. Photodegradation processes provoke long-term, cumulative and irreversible colour changes (fading, darkening, blanching) of which the prediction and prevention are challenging tasks. Of all the environmental risks that affect heritage materials, light exposure is the only one that cannot be controlled without any impact on the optimal display of the exhibit. Light-induced alterations are not only associated with the pigment itself but also with its interactions with support/binder and, in turn, are further complicated by the nature of the environmental conditions. In this Minireview we investigate how chemistry, encompassing multi-scale analytical investigations of works of art, computational modelling and physical and chemical studies contributes to improve our prediction of artwork appearance before degradation and to establish effective preventive conservation strategies. |
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Wos |
000434949200006 |
Publication Date |
2018-04-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1433-7851; 0570-0833 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
11.994 |
Times cited |
10 |
Open Access |
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Notes |
; We acknowledge: ACS and APS for the permission to adapt Figure 1c,d; RSC to adapt Figures 1e, 3c,d and 4a; Wiley and IUCr to adapt Figures 3b and 4b-d; for the detail of a Andean textile in Figure 5, Museum of Fine Arts, Boston, USA; for the illuminated initial in Figure 6, Torre do Tombo (ANTT). Financial support from the H2020 project IPERION-CH (GA. 654028) is gratefully acknowledged. ; |
Approved |
Most recent IF: 11.994 |
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Call Number |
UA @ admin @ c:irua:153184 |
Serial |
5769 |
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| Permanent link to this record |
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Author |
Alvarez-Martin, A.; Janssens, K. |
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Title |
Protecting and stimulating effect on the degradation of eosin lakes. Part 1 : lead white and cobalt blue |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Microchemical journal |
Abbreviated Journal |
Microchem J |
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Volume |
141 |
Issue |
141 |
Pages |
51-63 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
An important problem encountered during the preservation of paintings and other artworks is the fading of the original colors due to exposure of the colorants to light. This fact is clearly evidenced in some of Vincent Van Gogh's paintings in which an organic red, eosin or geranium lake, is present. The identification of eosin and the characterization of its degradation products in paintings represents a challenge because of (i) the generally low concentration of the pigment remaining after an aging period of ca 100 years, (ii) the scarcity of the paint micro samples available for analysis and the difficulty of obtaining additional ones and (iii) the complexity of the degradation behavior of eosin when it is mixed with organic or inorganic pigments, binding media or varnish. This study presents an accelerated aging experiment of eosin paint models in order to understand better the discoloration process; more specifically the influence of different metals with which eosin forms complexes and of the presence of admixture pigments such as lead white and cobalt blue on the lightfastness of eosin is evaluated. Paint model samples were prepared using eosin, lead white, and cobalt blue in different mixing ratios and were characterized with several techniques before and after aging. The possible formation of intermediate molecular forms during the aging experiment and the influence of pigment ratios on the discoloration process were monitored at periodic intervals using a combination of LTV Visible and attenuated total Reflectance-Fourier transform infrared (ATR-FTIR) spectroscopies. Raman spectroscopy, scanning electron microscopy coupled to energy-dispersive X-ray analysis (SEM-EDX) and optical microscopy (OM) analyses were performed to gain information about the discoloration processes taking place within the paint models. Eosin precipitated on lead, aluminum and potassium/aluminum salts was used. These three lakes showed similar discoloration rates under light exposure. In contrast, the presence and relative abundance of the admixture pigments lead white and cobalt blue had a significant influence on the (speed of the) eosin discoloration process. The presence of lead white and cobalt blue appears to stimulate the eosin degradation. However, the cobalt blue shows less influence in the discoloration process, showing a protective effect during the first stages of the aging. This may be qualitatively explained in terms of the ability of lead white to scatter light towards eosin molecules and the absorption characteristics of cobalt blue in the green range of the electromagnetic spectrum, shielding eosin from incoming light. The color changes observed in the paint reconstructions are similar to discoloration phenomena visible in some Van Gogh paintings and can offer an explanation of the gradual discoloration process that took place over the years. These insights will be helpful to estimate the original hues color used/intended by the artist. |
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Wos |
000439678200006 |
Publication Date |
2018-05-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0026-265x; 0026-265x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.034 |
Times cited |
3 |
Open Access |
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Notes |
; The authors sincerely acknowledged Dr. Costanza Miliani for sharing information about the synthesis of geranium lake. The authors also acknowledged Dr. Geert van der Snickt and Gert Nuyts for the help with the aging experiments and for carrying out the SEM-EDX measurements respectively. The authors would like to acknowledge the SolarPaint project (GOA programme, Antwerp University Research Council) for financial support. ; |
Approved |
Most recent IF: 3.034 |
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Call Number |
UA @ admin @ c:irua:153087 |
Serial |
5788 |
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Author |
Monico, L.; Chieli, A.; De Meyer, S.; Cotte, M.; de Nolf, W.; Falkenberg, G.; Janssens, K.; Romani, A.; Miliani, C. |
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Title |
Role of the relative humidity and the Cd/Zn stoichiometry in the photooxidation process of cadmium yellows (CdS/Cd1-xZnxS) in oil paintings |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Chemistry: a European journal |
Abbreviated Journal |
Chem-Eur J |
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Volume |
24 |
Issue |
45 |
Pages |
11584-11593 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Cadmium yellows (CdYs) refer to a family of cadmium sulfide pigments, which have been widely used by artists since the late 19th century. Despite being considered stable, they are suffering from discoloration in iconic paintings, such as Joy of Life by Matisse, Flowers in a blue vase by Van Gogh, and The Scream by Munch, most likely due to the formation of CdSO4 center dot nH(2)O. The driving factors of the CdYs degradation and how these affect the overall process are still unknown. Here, we study a series of oil mock-up paints made of CdYs of different stoichiometry (CdS/Cd0.76Zn0.24S) and crystalline structure (hexagonal/ cubic) before and after aging at variable relative humidity under exposure to light and in darkness. Synchrotron radiation-based X-ray methods combined with UV-Vis and FTIR spectroscopy show that: 1) Cd0.76Zn0.24S is more susceptible to photooxidation than CdS; both compounds can act as photocatalysts for the oil oxidation. 2) The photooxidation of CdS/Cd0.76Zn0.24S to CdSO4 center dot nH(2)O is triggered by moisture. 3) The nature of alteration products depends on the aging conditions and the Cd/Zn stoichiometry. Based on our findings, we propose a scheme for the mechanism of the photocorrosion process and the photocatalytic activity of CdY pigments in the oil binder. Overall, our results form a reliable basis for understanding the degradation of CdS-based paints in artworks and contribute towards developing better ways of preserving them for future generations. |
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Place of Publication |
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Wos |
000441126900012 |
Publication Date |
2018-06-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0947-6539 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.317 |
Times cited |
5 |
Open Access |
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Notes |
; The research was financially supported by the European research project IPERION-CH, funded by the European Commission, H2020-INFRAIA-2014-2015 (Grant agreement n. 654028) and by the BOF-GOA Project SOLARPaint (University of Antwerp Research Council). For the beamtime grants received, we thank the ESRF (experiments n. HG64, HG95 and in-house beamtimes) and PETRA III-DESY (experiments: I-20130221 EC, I-20160126 EC). We are also grateful to Dr. Jan Garrevoet for his contribution to set up the P06-beamline at PETRA III-DESY. ; |
Approved |
Most recent IF: 5.317 |
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Call Number |
UA @ admin @ c:irua:153733 |
Serial |
5821 |
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Author |
De Jong, M.; Florea, A.; Eliaerts, J.; Van Durme, F.; Samyn, N.; De Wael, K. |
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Title |
Tackling poor specificity of cocaine color tests by electrochemical strategies |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
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Volume |
90 |
Issue |
11 |
Pages |
6811-6819 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
This paper presents electrochemical strategies for the fast screening of cocaine and most common cutting agents found in seized drug samples. First, a study on the performance of Scott color tests on cocaine and a wide range of cutting agents is described. The cutting agents causing false positive or false negative results when in mixture with cocaine are identified. To overcome the lack of specificity of color tests, we further propose a fast screening strategy by means of square wave voltammetry on disposable graphite screen printed electrodes, which reveals the unique fingerprint of cocaine and cutting agents. By employing a forward and backward scan and by a dual pH strategy, we enrich the electrochemical fingerprint and enable the simultaneous detection of cocaine and cutting agents. The effectiveness of the developed strategies was tested for the detection of cocaine in seized cocaine samples and compared with the color tests. Moreover, we prove the usefulness of square wave voltammetry for predicting possible interfering agents in color tests, based on the reduction peak of cobalt thiocyanate. The developed electrochemical strategies allow for a quick screening of seized cocaine samples resulting in a selective identification of drugs and cutting agents. |
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Wos |
000434893200066 |
Publication Date |
2018-05-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-2700; 5206-882x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.32 |
Times cited |
7 |
Open Access |
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Notes |
; This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 753223 Narcoreader. This work was also supported by Grants BR/314 /PI/APTADRU and IOF-SBO. ; |
Approved |
Most recent IF: 6.32 |
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Call Number |
UA @ admin @ c:irua:151316 |
Serial |
5867 |
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Author |
Kuckova, S.; Hamidi-Asl, E.; Matulkova, I.; Hynek, R.; De Wael, K.; Sanyova, J.; Janssens, K. |
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Title |
Technoques and applications of Surface-Enhanced Raman Scattering Spectroscopy (SERSS) focused on cultural heritage |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Chemické listy |
Abbreviated Journal |
Chem Listy |
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Volume |
112 |
Issue |
5 |
Pages |
312-316 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The review is devoted to a modern method of vibrational spectroscopy – surface enhanced Raman spectroscopy Its principle and some of its special variants (imunnoSERS and TERS (Tip-Enhanced Raman Spectroscopy)) are described m a simpinified manner Wide application possibilities are demonstrated on selected examples from its application m culturinl heritage. |
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Wos |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0009-2770; 1213-7103 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
0.387 |
Times cited |
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Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 0.387 |
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Call Number |
UA @ admin @ c:irua:151616 |
Serial |
5869 |
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Author |
van Walsem, J.; Roegiers, J.; Modde, B.; Lenaerts, S.; Denys, S. |
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Title |
Determination of intrinsic kinetic parameters in photocatalytic multi-tube reactors by combining the NTUm-method with radiation field modelling |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
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Volume |
354 |
Issue |
354 |
Pages |
1042-1049 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
In this work, we propose an adapted Number of Transfer Units (NTUm)-method as an effective tool to determine the Langmuir-Hinshelwood kinetic parameters for a photocatalytic multi-tube reactor. The Langmuir-Hinshelwood rate constant kLH and the Langmuir adsorption constant KL were determined from several experiments under different UV-irradiance conditions, resulting in irradiance depending values for kLH. In order to determine a unique, intrinsic empirical constant k0, valid for all irradiation conditions, we coupled the adapted NTUm-method with a radiation field model to predict UV-irradiance distribution inside the reactor. The final set of kinetic parameters were derived using a Generalized Reduced Gradient (GRG) nonlinear solving method in Matlab which minimizes the differences between model and experimental reactor outlet concentrations of acetaldehyde for various photocatalytic experiments under varying operating conditions, including inlet concentration, flow rate and UV-irradiance. An excellent agreement of the intrinsic empirical constant k0, derived from the coupled NTUm-radiation field model and an earlier published CFD approach was found, emphasizing its validity and reliability. |
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Place of Publication |
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Wos |
000445413900099 |
Publication Date |
2018-08-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1385-8947; 1873-3212 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.216 |
Times cited |
2 |
Open Access |
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Notes |
; J.V.W. acknowledges the Agentschap Innoveren & Ondernemen for a PhD fellowship. ; |
Approved |
Most recent IF: 6.216 |
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Call Number |
UA @ admin @ c:irua:154845 |
Serial |
5940 |
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Author |
Dong, Y.; Chen, S.-Y.; Lu, Y.; Xiao, Y.-X.; Hu, J.; Wu, S.-M.; Deng, Z.; Tian, G.; Chang, G.-G.; Li, J.; Lenaerts, S.; Janiak, C.; Yang, X.-Y.; Su, B.-L. |
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Title |
Hierarchical MoS2@TiO2 heterojunctions for enhanced photocatalytic performance and electrocatalytic hydrogen evolution |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Chemistry: an Asian journal |
Abbreviated Journal |
Chem-Asian J |
|
| |
Volume |
13 |
Issue |
12 |
Pages |
1609-1615 |
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| |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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| |
Abstract |
Hierarchical MoS2@TiO2 heterojunctions were synthesized through a one-step hydrothermal method by using protonic titanate nanosheets as the precursor. The TiO2 nanosheets prevent the aggregation of MoS2 and promote the carrier transfer efficiency, and thus enhance the photocatalytic and electrocatalytic activity of the nanostructured MoS2. The obtained MoS2@TiO2 has significantly enhanced photocatalytic activity in the degradation of rhodamineB (over 5.2times compared with pure MoS2) and acetone (over 2.8times compared with pure MoS2). MoS2@TiO2 is also beneficial for electrocatalytic hydrogen evolution (26times compared with pure MoS2, based on the cathodic current density). This work offers a promising way to prevent the self-aggregation of MoS2 and provides a new insight for the design of heterojunctions for materials with lattice mismatches. |
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Corporate Author |
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Place of Publication |
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Editor |
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Language |
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Wos |
000435773300011 |
Publication Date |
2018-04-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1861-4728; 1861-471x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.083 |
Times cited |
22 |
Open Access |
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| |
Notes |
; This work was supported by the National Key R&D Program of China (2017YFC1103800), PCSIRT (IRT15R52), NSFC (U1662134, U1663225, 51472190, 51611530672, 51503166, 21706199, 21711530705), ISTCP (2015DFE52870), HPNSF (2016CFA033, 2017CFB487), and SKLPPC (PPC2016007). ; |
Approved |
Most recent IF: 4.083 |
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| |
Call Number |
UA @ admin @ c:irua:151971 |
Serial |
5956 |
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| Permanent link to this record |
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| |
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Author |
Xiao, S.; Lu, Y.; Xiao, B.-Y.; Wu, L.; Song, J.-P.; Xiao, Y.-X.; Wu, S.-M.; Hu, J.; Wang, Y.; Chang, G.-G.; Tian, G.; Lenaerts, S.; Janiak, C.; Yang, X.-Y.; Su, B.-L. |
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| |
Title |
Hierarchically dual-mesoporous TiO2 microspheres for enhanced photocatalytic properties and lithium storage |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Chemistry: a European journal |
Abbreviated Journal |
Chem-Eur J |
|
| |
Volume |
24 |
Issue |
50 |
Pages |
13246-13252 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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| |
Abstract |
Hierarchically dual‐mesoporous TiO2 microspheres have been synthesized via a solvothermal process in the presence of 1‐butyl‐3‐methylmidazolium tetrafluoroborate ([BMIm][BF4]) and diethylenetriamine (DETA) as co‐templates. Secondary mesostructured defects in the hierarchical TiO2 microspheres produce the oxygen vacancies, which not only significantly enhance the photocatalytic activity on degrading methyl blue (over 1.7 times to P25) and acetone (over 2.9 times of P25), but which also are beneficial for lithium storage. Moreover, we propose a mechanism to obtain a better understanding of the role of dual mesoporosity of TiO2 microspheres for enhancing the molecular diffusion, ion transportation and electron transformation. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000443804100025 |
Publication Date |
2018-06-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
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| |
ISSN |
0947-6539 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
5.317 |
Times cited |
6 |
Open Access |
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| |
Notes |
; This work is supported by the National Key R&D Program of China (2017YFC1103800), the Program for Changjiang Scholars and Innovative Research Team in University (IRT 15R52), the National Natural Science Foundation of China (U1662134, U1663225, 51472190, 51611530672, 51503166, 21706199, 21711530705), the International Science & Technology Cooperation Program of China (2015DFE52870), the Natural Science Foundation of Hubei Province (2016CFA033, 2017CFB487), the Open Project Program of State Key Laboratory of Petroleum Pollution Control (PPC2016007), and the CNPC Research Institute of Safety and Environmental Technology. ; |
Approved |
Most recent IF: 5.317 |
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| |
Call Number |
UA @ admin @ c:irua:151812 |
Serial |
5957 |
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| Permanent link to this record |
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Author |
Tarasov, A.; Hu, Z.-Y.; Meledina, M.; Trusov, G.; Goodilin, E.; Van Tendeloo, G.; Dobrovolsky, Y. |
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Title |
One-Step Microheterogeneous Formation of Rutile@Anatase Core–Shell Nanostructured Microspheres Discovered by Precise Phase Mapping |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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| |
Volume |
121 |
Issue |
121 |
Pages |
4443-4450 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Nanostructured core−shell microspheres with a rough rutile core and a thin anatase shell are synthesized via a one-step heterogeneous templated hydrolysis process of TiCl4 vapor on the aerosol water−air interface. The rutile-in-anatase core−shell structure has been evidenced by different electron microscopy techniques, including electron energy-loss spectroscopy and 3D electron tomography. A new mechanism for the formation of a crystalline rutile core inside the anatase shell is proposed based on a statistical evaluation of a large number of electron microscopy data. We found that the control over the TiCl4 vapor pressure, the ratio between TiCl4 and H2O aerosol, and the reaction conditions plays a crucial role in the formation of the core−shell morphology and increases the yield of nanostructured microspheres. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000395616200038 |
Publication Date |
2017-03-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1932-7447 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.536 |
Times cited |
4 |
Open Access |
OpenAccess |
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| |
Notes |
Z.-Y.H., M. M., and G.V.T. acknowledge support from the the EC Framework 7 program ESTEEM2 (Reference 312483). |
Approved |
Most recent IF: 4.536 |
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| |
Call Number |
EMAT @ emat @ c:irua:141720 |
Serial |
4472 |
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| Permanent link to this record |
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Author |
Matsubara, M.; Saniz, R.; Partoens, B.; Lamoen, D. |
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Title |
Doping anatase TiO2with group V-b and VI-b transition metal atoms: a hybrid functional first-principles study |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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| |
Volume |
19 |
Issue |
19 |
Pages |
1945-1952 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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| |
Abstract |
We investigate the role of transition metal atoms of group V-b (V, Nb, Ta) and VI-b (Cr, Mo, W) as n- or p-type dopants in anatase TiO$2$ using thermodynamic
principles and density functional theory with the Heyd-Scuseria-Ernzerhof HSE06 hybrid functional. The HSE06 functional provides a realistic value for the band gap, which ensures a correct classification of dopants as shallow or deep donors or acceptors. Defect formation energies and thermodynamic transition levels are calculated taking into account the constraints imposed by the stability of TiO$2$ and the solubility limit of the impurities.
Nb, Ta, W and Mo are identified as shallow donors. Although W provides two electrons, Nb and Ta show a considerable lower formation energy, in particular under O-poor conditions. Mo donates in principle one electron, but under specific conditions can turn into a double donor. V impurities are deep donors and Cr
shows up as an amphoteric defect, thereby acting as an electron trapping center in n-type TiO$_2$ especially under O-rich conditions. A comparison with the available experimental data yields excellent agreement. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000394426400027 |
Publication Date |
2016-12-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1463-9076 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.123 |
Times cited |
19 |
Open Access |
OpenAccess |
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Notes |
We gratefully acknowledge financial support from the IWTVlaanderenthrough projects G.0191.08 and G.0150.13, and the BOF-NOI of the University of Antwerp. This work was carried out using the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC, which is funded by the Hercules foundation. M. M. acknowledges financial support from the GOA project ‘‘XANES meets ELNES’’ of the University of Antwerp. |
Approved |
Most recent IF: 4.123 |
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| |
Call Number |
EMAT @ emat @ c:irua:140835 |
Serial |
4421 |
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| Permanent link to this record |
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Author |
Snoeckx, R.; Ozkan, A.; Reniers, F.; Bogaerts, A. |
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Title |
The Quest for Value-Added Products from Carbon Dioxide and Water in a Dielectric Barrier Discharge: A Chemical Kinetics Study |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Chemsuschem |
Abbreviated Journal |
Chemsuschem |
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| |
Volume |
10 |
Issue |
10 |
Pages |
409-424 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Recycling of carbon dioxide by its conversion into value-added products has gained significant interest owing to the role it can play for use in an anthropogenic carbon cycle. The combined conversion with H2O could even mimic the natural photosynthesis process. An interesting gas conversion technique currently being considered in the field of CO2 conversion is plasma technology. To investigate whether it is also promising for this combined conversion, we performed a series of experiments and developed a chemical kinetics plasma chemistry model for a deeper understanding of the process. The main products formed were the syngas components CO and H2, as well as O2 and H2O2, whereas methanol formation was only observed in the parts-per-billion to parts-per-million range. The syngas ratio, on the other hand, could easily be controlled by varying both the water content and/or energy input. On the basis of the model, which was validated with experimental results, a chemical kinetics analysis was performed, which allowed the construction and investigation of the different pathways leading to the observed experimental results and which helped to clarify these results. This approach allowed us to evaluate this technology on the basis of its underlying chemistry and to propose solutions on how to further improve the formation of value-added products by using plasma technology. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000394571900012 |
Publication Date |
2016-11-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1864-5631 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.226 |
Times cited |
25 |
Open Access |
OpenAccess |
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Notes |
The authors acknowledge financial support from the Inter-university Attraction Pole (IAP; grant number IAP-VII/12, P7/34) program “PSI-Physical Chemistry of Plasma-Surface Interactions”, financially supported by the Belgian Federal Office for Science Policy (BELSPO), as well as the Fund for Scientific Research Flanders (FWO; grant number G.0066.12N). This work was performed in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. We also would like to thank the financial support given by “Fonds David et Alice Van Buuren”. Finally, we are very grateful to M. Kushner for providing the Global kin code, to T. Dufour for his support during the experiments, and to R. Aerts for his support during the model development. |
Approved |
Most recent IF: 7.226 |
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Call Number |
PLASMANT @ plasmant @ c:irua:139880 |
Serial |
4412 |
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Author |
Rahemi, V.; Sarmadian, N.; Anaf, W.; Janssens, K.; Lamoen, D.; Partoens, B.; De Wael, K. |
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Title |
Unique opto-electronic structure and photo reduction properties of sulfur doped lead chromates explaining their instability in paintings |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
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| |
Volume |
89 |
Issue |
89 |
Pages |
3326-3334 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Chrome yellow refers to a group of synthetic inorganic pigments that became popular as an artists material from the second quarter of the 19th century. The color of the pigment, in which the chromate ion acts as a chromophore, is related to its chemical composition (PbCr1-xSxO4, with 0≤x≤0.8) and crystalline structure (monoclinic/orthorhombic). Their shades range from the yellow-orange to the paler yellow tones with increasing sulfate amount. These pigments show remarkable signs of degradation after limited time periods. Pure PbCrO4 (crocoite in its natural form) has a deep yellow color and is relatively stable, while the co-precipitate with lead sulfate (PbCr1-xSxO4) has a paler shade and seems to degrade faster. This degradation is assumed to be related to the reduction of Cr(VI) to Cr(III). We show that on increasing the sulfur(S)-content in chrome yellow, the band gap increases. Typically, when increasing the band gap, one might assume that a decrease in photo activity is the result. However, the photo activity relative to the Cr content, and thus Cr reduction, of sulfur-rich PbCr1-xSxO4 is found to be much higher compared to the sulfur-poor or non-doped lead chromates. This discrepancy can be explained by the evolution of the crystal and electronic structure as function of the sulfur content: first-principles density functional theory calculations show that both the absorption coefficient and reflection coefficients of the lead chromates change as a result of the sulfate doping in such a way that the generation of electron-hole pairs under illumination relative to the total Cr content increases. These changes in the material properties explain why paler shade yellow colors of this pigment are more prone to discoloration. The electronic structure calculations also demonstrate that lead chromate and its co-precipitates are p-type semiconductors, which explains the observed reduction reaction. As understanding this phenomenon is valuable in the field of cultural heritage, this study is the first joint action of photo-electrochemical measurements and first-principles calculations to approve the higher tendency of sulfur-rich lead chromates to darken. |
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Corporate Author |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000397478300015 |
Publication Date |
2017-02-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-2700 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.32 |
Times cited |
7 |
Open Access |
OpenAccess |
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Notes |
; The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the Hercules Foundation and the Flemish Government, department EWI. The BOF-GOA action SOLARPAINT of the University of Antwerp Research Council is acknowledged for financial support. W.A. acknowledges support from BELSPO project S2-ART. Dr. L. Monico and Dr. C. Miliani (ISTM, Perugia) are gratefully acknowledged for helpful discussions and for providing some of the initial batches of the materials studied. ; |
Approved |
Most recent IF: 6.32 |
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Call Number |
UA @ lucian @ c:irua:140886 |
Serial |
4451 |
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Author |
Tit, N.; Al Ezzi, M.M.; Abdullah, H.M.; Yusupov, M.; Kouser, S.; Bahlouli, H.; Yamani, Z.H. |
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Title |
Detection of CO2 using CNT-based sensors: Role of Fe catalyst on sensitivity and selectivity |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Materials chemistry and physics |
Abbreviated Journal |
Mater Chem Phys |
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Volume |
186 |
Issue |
186 |
Pages |
353-364 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The adsorption of CO2 on surfaces of graphene and carbon nanotubes (CNTs), decorated with Fe atoms, are investigated using the self-consistent-charge density-functional tight-binding (SCC-DFTB) method, neglecting the heat effects. Fe ad-atoms are more stable when they are dispersed on hollow sites. They introduce a large density of states at the Fermi level (N-F); where keeping such density low would help in gas sensing. Furthermore, the Fe ad-atom can weaken the C=O double bonds of the chemisorbed CO2 molecule, paving the way for oxygen atoms to drain more charges from Fe. Consequently, chemisorption of CO2 molecules reduces both N-F and the conductance while it enhances the sensitivity with the increasing gas dose. Conducting armchair CNTs (ac-CNTs) have higher sensitivity than graphene and semiconducting zigzag CNTs (zz-CNT5). Comparative study of sensitivity of ac-CNT-Fe composite towards various gases (e.g., O-2, N-2, H-2, H2O, CO and CO2) has shown high sensitivity and selectivity towards CO, CO2 and H2O gases. (C) 2016 Elsevier B.V. All rights reserved. |
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Publisher |
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Place of Publication |
Lausanne |
Editor |
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Language |
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Wos |
000390621200044 |
Publication Date |
2016-11-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0254-0584 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.084 |
Times cited |
17 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 2.084 |
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Call Number |
UA @ lucian @ c:irua:140333 |
Serial |
4465 |
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Author |
Blommaerts, N.; Asapu, R.; Claes, N.; Bals, S.; Lenaerts, S.; Verbruggen, S.W. |
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Title |
Gas phase photocatalytic spiral reactor for fast and efficient pollutant degradation |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
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Volume |
316 |
Issue |
316 |
Pages |
850-856 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Photocatalytic reactors for the degradation of gaseous organic pollutants often suffer from major limitations such as small reaction area, sub-optimal irradiation conditions and thus limited reaction rate. In this work, an alternative solution is presented that involves a glass tube coated on the inside with (silvermodified) TiO2 and spiraled around a UVA lamp. First, the spiral reactor is coated from the inside with TiO2 using an experimentally verified procedure that is optimized toward UV light transmission. This procedure is kept as simple as possible and involves a single casting step of a 1 wt% suspension of TiO2 in ethanol through the spiral. This results in a coated tube that absorbs nearly all incident UV light under the experimental conditions used. The optimized coated spiral reactor is then benchmarked to a conventional annular photoreactor of the same outer dimensions and total catalyst loading over a broad range of experimental conditions. Although residence time distribution experiments indicate slightly longer dwelling of molecules in the spiral reactor, no significant difference in by-passing of gas between the spiral reactor and the annular reactor can be claimed. Acetaldehyde degradation efficiency of 100% is obtained with the spiral reactor for a residence time as low as 60 s, whereas the annular reactor could not achieve full degradation even at 1000 s residence time. In a final case study, addition of long-term stable silver nanoparticles, protected by an ultra-thin polymer shell applied via the layer-by-layer (LbL) method, to the spiral reactor coating is shown to double the degradation efficiency and provides an interesting strategy to cope with higher pollutant concentrations without changing the overall dimensions. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000398985200089 |
Publication Date |
2017-02-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1385-8947 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.216 |
Times cited |
30 |
Open Access |
OpenAccess |
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Notes |
N.B. wishes to thank the University of Antwerp – Belgium for financial support. N.C. and S.B. acknowledge financial support from European Research Council (ERC Starting Grant #335078- COLOURATOM). S.W.V. acknowledges the Research Foundation – Flanders (FWO) for a postdoctoral fellowship. (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); ecas_sara |
Approved |
Most recent IF: 6.216 |
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Call Number |
EMAT @ emat @ c:irua:140925UA @ admin @ c:irua:140925 |
Serial |
4481 |
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Author |
Tunca, B.; Lapauw, T.; Karakulina, O.M.; Batuk, M.; Cabioc’h, T.; Hadermann, J.; Delville, R.; Lambrinou, K.; Vleugels, J. |
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Title |
Synthesis of MAX Phases in the Zr-Ti-Al-C System |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
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Volume |
56 |
Issue |
56 |
Pages |
3489-3498 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
This study reports on the synthesis and characterization of MAX phases in the (Zr,Ti)n+1AlCn system. The MAX phases were synthesized by reactive hot pressing and pressureless sintering in the 1350–1700 °C temperature range. The produced ceramics contained large fractions of 211 and 312 (n = 1, 2) MAX phases, while strong evidence of a 413 (n = 3) stacking was found. Moreover, (Zr,Ti)C, ZrAl2, ZrAl3, and Zr2Al3 were present as secondary phases. In general, the lattice parameters of the hexagonal 211 and 312 phases followed Vegard’s law over the complete Zr-Ti solid solution range, but the 312 phase showed a non-negligible deviation from Vegard’s law around the (Zr0.33,Ti0.67)3Al1.2C1.6 stoichiometry. High-resolution scanning transmission electron microscopy combined with X-ray diffraction demonstrated ordering of the Zr and Ti atoms in the 312 phase, whereby Zr atoms occupied preferentially the central position in the close-packed M6X octahedral layers. The same ordering was also observed in 413 stackings present within the 312 phase. The decomposition of the secondary (Zr,Ti)C phase was attributed to the miscibility gap in the ZrC-TiC system. |
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Wos |
000397171100045 |
Publication Date |
2017-03-20 |
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Edition |
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ISSN |
0020-1669 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.857 |
Times cited |
26 |
Open Access |
OpenAccess |
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Notes |
Fonds Wetenschappelijk Onderzoek, G.0431.10N.F ; Agentschap voor Innovatie door Wetenschap en Technologie, 131081 ; European Atomic Energy Community, 604862 ; SCK-CEN Academy for Nuclear Science and Technology; Hercules Foundation, Project/Award no: AKUL/1319 Project/Award no: ZW09-09 ; |
Approved |
Most recent IF: 4.857 |
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Call Number |
EMAT @ emat @ c:irua:141794 |
Serial |
4491 |
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Author |
van der Stam, W.; Geuchies, J.J.; Altantzis, T.; van den Bos, K.H.W.; Meeldijk, J.D.; Van Aert, S.; Bals, S.; Vanmaekelbergh, D.; de Mello Donega, C. |
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Title |
Highly Emissive Divalent-Ion-Doped Colloidal CsPb1–xMxBr3Perovskite Nanocrystals through Cation Exchange |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
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Volume |
139 |
Issue |
139 |
Pages |
4087-4097 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Colloidal CsPbX3 (X = Br, Cl, and I) perovskite nanocrystals (NCs) have emerged as promising phosphors and solar cell materials due to their remarkable optoelectronic properties. These properties can be tailored by not only controlling the size and shape of the NCs but also postsynthetic composition tuning through topotactic
anion exchange. In contrast, property control by cation exchange is still underdeveloped for colloidal CsPbX3 NCs. Here, we present a method that allows partial cation exchange in colloidal CsPbBr3 NCs, whereby Pb2+ is exchanged for several isovalent cations, resulting in doped CsPb1−xMxBr3 NCs (M= Sn2+, Cd2+, and Zn2+; 0 < x ≤ 0.1), with preservation of the original NC shape. The size of the parent NCs is also preserved in the product NCs, apart from a small (few
%) contraction of the unit cells upon incorporation of the guest cations. The partial Pb2+ for M2+ exchange leads to a blue-shift of the optical spectra, while maintaining the high photoluminescence quantum yields (>50%), sharp absorption features, and narrow emission of the parent CsPbBr3 NCs. The blue-shift in the optical spectra is attributed to the lattice contraction that accompanies the Pb2+ for M2+ cation exchange and is observed to scale linearly with the lattice contraction. This work opens up new possibilities to engineer the properties of halide perovskite NCs, which to date are demonstrated to be the only known
system where cation and anion exchange reactions can be sequentially combined while preserving the original NC shape, resulting in compositionally diverse perovskite NCs. |
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Wos |
000397477700027 |
Publication Date |
2017-03-10 |
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ISSN |
0002-7863 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
13.858 |
Times cited |
535 |
Open Access |
OpenAccess |
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Notes |
W.v.d.S. and C.d.M.D. acknowledge financial support from the division of Chemical Sciences (CW) of The Netherlands Organization for Scientific Research (NWO) under grant number ECHO.712.012.001. J.J.G. and D.V. acknowledge financial support from the Debye Graduate program. S.B. acknowledges financial support from the European Research Council (ERC Starting Grant # 335078-COLOURATOMS). K.H.W.v.d.B., S.B., S.V.A. and T.A. acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0374.13N, G.0368.15N, G.0369.15N), a Ph.D. grant to K.H.W.v.d.B, and a postdoctoral research grant to T.A. (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ECAS_Sara |
Approved |
Most recent IF: 13.858 |
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Call Number |
EMAT @ emat @ c:irua:141754UA @ admin @ c:irua:141754 |
Serial |
4482 |
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Author |
Batuk, D.; Batuk, M.; Filimonov, D.S.; Zakharov, K.V.; Volkova, O.S.; Vasiliev, A.N.; Tyablikov, O.A.; Hadermann, J.; Abakumov, A.M. |
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Title |
Crystal Structure, Defects, Magnetic and Dielectric Properties of the Layered Bi3n+1Ti7Fe3n-3,O9n+11 Perovskite-Anatase lntergrowths |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
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Volume |
56 |
Issue |
56 |
Pages |
931-942 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The Bi3n+1Ti7Fe3n-3,O9n+11 materials are built of (001)(p) plane parallel perovskite blocks with a thickness of n (Ti,Fe)O-6 octahedra, separated by periodic translational interfaces. The interfaces are based on anatase-like chains of edge -sharing (Ti,Fe)O-6 octahedra. Together with the octahedra of the perovskite blocks, they create S-shaped tunnels stabilized by lone pair Bi3+ cations. In this work, the structure of the n = 4-6 Bi3n+1Ti7Fe3n-3,O9n+11 homologues is analyzed in detail using advanced transmission electron microscopy, powder X-ray diffraction, and Mossbauer spectroscopy. The connectivity of the anatase-like chains to the perovskite blocks results in,a 3ap periodicity along the interfaces, so that they can be located either on top of each other or with shifts of +/- a(p) along [100](p). The ordered arrangement of the interfaces gives rise to orthorhombic Immm and monoclinic A2/m polymorphs with the unit cell parameters a = 3a(p), b = b(p), c = 2(n + 1)c(p) and a = 3a(p), b = b(p), c = 2(n + 1)c(p) – a(p), respectively. While the n = 3 compound is orthorhombic, the monoclinic modification is more favorable in higher homologues. The Bi3n+1Ti7Fe3n-3,O9n+11 structures demonstrate intricate patterns of atomic displacements in the perovskite blocks, which are supported by the stereochemical activity of the Bi3+ cations. These patterns are coupled to the cationic coordination of the oxygen atoms in the (Ti,Fe)O-2 layers at the border of the perovskite blocks. The coupling is strong in the 1/ = 3, 4 homologues, but gradually reduces with the increasing thickness of the perovskite blocks, so that, in the n = 6 compound, the dominant mode of atomic displacements is aligned along the interface planes. The displacements in the adjacent perovskite blocks tend to order antiparallel, resulting in an overall antipolar structure. The Bi3n+1Ti7Fe3n-3,O9n+11 materials demonstrate an unusual diversity of structure defects. The n = 4-6 homologues are robust antiferromagnets below T-N = 135, 220, and 295 K, respectively. They show a high dielectric constant that weakly increases with temperature and is relatively insensitive to the Ti/Fe ratio. |
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Place of Publication |
Easton, Pa |
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Wos |
000392262400029 |
Publication Date |
2016-12-25 |
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Edition |
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ISSN |
0020-1669 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.857 |
Times cited |
3 |
Open Access |
Not_Open_Access |
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Notes |
; The work was supported by the Russian Science Foundation (grant 14-13-00680). ; |
Approved |
Most recent IF: 4.857 |
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Call Number |
UA @ lucian @ c:irua:141471 |
Serial |
4495 |
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Author |
Martens, J.A.; Bogaerts, A.; De Kimpe, N.; Jacobs, P.A.; Marin, G.B.; Rabaey, K.; Saeys, M.; Verhelst, S. |
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Title |
The Chemical Route to a Carbon Dioxide Neutral World |
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A1 Journal article |
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Year |
2017 |
Publication |
Chemsuschem |
Abbreviated Journal |
Chemsuschem |
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Volume |
10 |
Issue |
10 |
Pages |
1039-1055 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Excessive CO2 emissions in the atmosphere from anthropogenic activity can be divided into point sources and diffuse sources. The capture of CO2 from flue gases of large industrial installations and its conversion into fuels and chemicals with fast catalytic processes seems technically possible. Some emerging technologies are already being demonstrated on an industrial scale. Others are still being tested on a laboratory or pilot scale. These emerging chemical technologies can be implemented in a time window ranging from 5 to 20 years. The massive amounts of energy needed for capturing processes and the conversion of CO2 should come from low-carbon energy sources, such as tidal, geothermal, and nuclear energy, but also, mainly, from the sun. Synthetic methane gas that can be formed from CO2 and hydrogen gas is an attractive renewable energy carrier with an existing distribution system. Methanol offers advantages as a liquid fuel and is also a building block for the chemical industry. CO2 emissions from diffuse sources is a difficult problem to solve, particularly for CO2 emissions from road, water, and air transport, but steady progress in the development of technology for capturing CO2 from air is being made. It is impossible to ban carbon from the entire energy
supply of mankind with the current technological knowledge, but a transition to a mixed carbon–hydrogen economy can reduce net CO2 emissions and ultimately lead to a CO2-neutral world. |
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Wos |
000398182800002 |
Publication Date |
2017-02-24 |
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ISSN |
1864-5631 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.226 |
Times cited |
75 |
Open Access |
OpenAccess |
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Notes |
This paper is written by members of the Royal Flemish Academy of Belgium for Science and the Arts (KVAB) and external experts. KVAB is acknowledged for supporting the writing and publishing of this viewpoint. Valuable suggestions made by colleagues Jan Kretzschmar, Stan Ulens, and Luc Sterckx are highly appreciated. Special thanks go to Mr. Bert Seghers and Mrs. N. Boelens of KVAB for practical assistance. Mr. Tim Lacoere is acknowledged for graphic design and layout of the figures, and Steven Heylen and Elke Verheyen are acknowledged for data collection and editorial assistance. |
Approved |
Most recent IF: 7.226 |
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Call Number |
PLASMANT @ plasmant @ c:irua:141916 |
Serial |
4532 |
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Author |
Verlackt, C.C.W.; Van Boxem, W.; Dewaele, D.; Lemière, F.; Sobott, F.; Benedikt, J.; Neyts, E.C.; Bogaerts, A. |
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Title |
Mechanisms of Peptide Oxidation by Hydroxyl Radicals: Insight at the Molecular Scale |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
121 |
Issue |
121 |
Pages |
5787-5799 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Molecular dynamics (MD) simulations were performed to provide atomic scale insight in the initial interaction between hydroxyl radicals (OH) and peptide systems in solution. These OH radicals are representative reactive oxygen species produced by cold atmospheric plasmas. The use of plasma for biomedical applications is gaining increasing interest, but the fundamental mechanisms behind the plasma modifications still remain largely elusive. This study helps to gain more insight in the underlying mechanisms of plasma medicine but is also more generally applicable to peptide oxidation, of interest for other applications. Combining both reactive and nonreactive MD simulations, we are able to elucidate the reactivity of the amino acids inside the peptide systems and their effect on their structure up to 1 μs. Additionally, experiments were performed, treating the simulated peptides with a plasma jet. The computational results presented here correlate well with the obtained experimental data and highlight the importance of the chemical environment for the reactivity of the individual amino acids, so that specific amino acids are attacked in higher numbers than expected. Furthermore, the long time scale simulations suggest that a single oxidation has an effect on the 3D conformation due to an increase in hydrophilicity and intra- and intermolecular interactions. |
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Wos |
000396969900037 |
Publication Date |
2017-03-16 |
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ISSN |
1932-7447 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
5 |
Open Access |
OpenAccess |
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Notes |
Fonds Wetenschappelijk Onderzoek, G012413N ; |
Approved |
Most recent IF: 4.536 |
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Call Number |
PLASMANT @ plasmant @ c:irua:142202 |
Serial |
4537 |
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