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Author | Vermeyen, T.; Brence, J.; Van Echelpoel, R.; Aerts, R.; Acke, G.; Bultinck, P.; Herrebout, W. | ||||
Title | Exploring machine learning methods for absolute configuration determination with vibrational circular dichroism | Type | A1 Journal article | ||
Year | 2021 | Publication | Physical Chemistry Chemical Physics | Abbreviated Journal | Phys Chem Chem Phys |
Volume | 23 | Issue | 35 | Pages | 19781-19789 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Molecular Spectroscopy (MolSpec) | ||||
Abstract ![]() |
The added value of supervised Machine Learning (ML) methods to determine the Absolute Configuration (AC) of compounds from their Vibrational Circular Dichroism (VCD) spectra was explored. Among all ML methods considered, Random Forest (RF) and Feedforward Neural Network (FNN) yield the best performance for identification of the AC. At its best, FNN allows near-perfect AC determination, with accuracy of prediction up to 0.995, while RF combines good predictive accuracy (up to 0.940) with the ability to identify the spectral areas important for the identification of the AC. No loss in performance of either model is observed as long as the spectral sampling interval used does not exceed the spectral bandwidth. Increasing the sampling interval proves to be the best method to lower the dimensionality of the input data, thereby decreasing the computational cost associated with the training of the models. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000691366500001 | Publication Date | 2021-08-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1463-9076; 1463-9084 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.123 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 4.123 | |||
Call Number | UA @ admin @ c:irua:180290 | Serial | 7951 | ||
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Author | Miliani, C.; Monico, L.; Melo, M.J.; Fantacci, S.; Angelin, E.M.; Romani, A.; Janssens, K. | ||||
Title | Photochemistry of Artists' Dyes and Pigments : towards better understanding and prevention of colour change in works of art | Type | A1 Journal article | ||
Year | 2018 | Publication | Angewandte Chemie: international edition in English | Abbreviated Journal | Angew Chem Int Edit |
Volume | 57 | Issue | 25 | Pages | 7324-7334 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
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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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000434949200006 | Publication Date | 2018-04-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1433-7851; 0570-0833 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 11.994 | Times cited | 10 | Open Access | |
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 | ||
Call Number | UA @ admin @ c:irua:153184 | Serial | 5769 | ||
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Author | Çakir, D.; Sahin, H.; Peeters, F.M. | ||||
Title | Doping of rhenium disulfide monolayers : a systematic first principles study | Type | A1 Journal article | ||
Year | 2014 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
Volume | 16 | Issue | 31 | Pages | 16771-16779 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract ![]() |
The absence of a direct-to-indirect band gap transition in ReS2 when going from the monolayer to bulk makes it special among the other semiconducting transition metal dichalcogenides. The functionalization of this promising layered material emerges as a necessity for the next generation technological applications. Here, the structural, electronic, and magnetic properties of substitutionally doped ReS2 monolayers at either the S or Re site were systematically studied by using first principles density functional calculations. We found that substitutional doping of ReS2 depends sensitively on the growth conditions of ReS2. Among the large number of non-metallic atoms, namely H, B, C, Se, Te, F, Br, Cl, As, P. and N, we identified the most promising candidates for n-type and p-type doping of ReS2. While Cl is an ideal candidate for n-type doping, P appears to be the most promising candidate for p-type doping of the ReS2 monolayer. We also investigated the doping of ReS2 with metal atoms, namely Mo, W, Ti, V. Cr, Co, Fe, Mn, Ni, Cu, Nb, Zn, Ru, Os and Pt. Mo, Nb, Ti, and V atoms are found to be easily incorporated in a single layer of ReS2 as substitutional impurities at the Re site for all growth conditions considered in this work. Tuning chemical potentials of dopant atoms energetically makes it possible to dope ReS2 with Fe, Co, Cr, Mn, W, Ru, and Os at the Re site. We observe a robust trend for the magnetic moments when substituting a Re atom with metal atoms such that depending on the electronic configuration of dopant atoms, the net magnetic moment of the doped ReS2 becomes either 0 or 1 mu(B). Among the metallic dopants, Mo is the best candidate for p-type doping of ReS2 owing to its favorable energetics and promising electronic properties. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Cambridge | Editor | ||
Language | Wos | 000340075700048 | Publication Date | 2014-07-02 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1463-9076;1463-9084; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.123 | Times cited | 58 | Open Access | |
Notes | ; This work was supported by the Flemish Science Foundation (FWO-VI) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus-long Marie Curie Fellowship. D.C. is supported by a FWO Pegasus-short Marie Curie Fellowship. ; | Approved | Most recent IF: 4.123; 2014 IF: 4.493 | ||
Call Number | UA @ lucian @ c:irua:118742 | Serial | 752 | ||
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Author | Bueken, B.; Van Velthoven, N.; Willhammar, T.; Stassin, T.; Stassen, I.; Keen, D.A.; Baron, G.V.; Denayer, J.F.M.; Ameloot, R.; Bals, S.; De Vos, D.; Bennett, T.D. | ||||
Title | Gel-based morphological design of zirconium metal-organic frameworks | Type | A1 Journal article | ||
Year | 2017 | Publication | Chemical science | Abbreviated Journal | Chem Sci |
Volume | 8 | Issue | 8 | Pages | 3939-3948 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
The ability of metal-organic frameworks (MOFs) to gelate under specific synthetic conditions opens up new opportunities in the preparation and shaping of hierarchically porous MOF monoliths, which could be directly implemented for catalytic and adsorptive applications. In this work, we present the first examples of xero-or aerogel monoliths consisting solely of nanoparticles of several prototypical Zr4+-based MOFs: UiO-66-X (X – H, NH2, NO2, (OH)(2)), UiO-67, MOF-801, MOF-808 and NU-1000. High reactant and water concentrations during synthesis were observed to induce the formation of gels, which were converted to monolithic materials by drying in air or supercritical CO2. Electron microscopy, combined with N-2 physisorption experiments, was used to show that irregular nanoparticle packing leads to pure MOF monoliths with hierarchical pore systems, featuring both intraparticle micropores and interparticle mesopores. Finally, UiO-66 gels were shaped into monolithic spheres of 600 mm diameter using an oil-drop method, creating promising candidates for packed-bed catalytic or adsorptive applications, where hierarchical pore systems can greatly mitigate mass transfer limitations. | ||||
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Publisher | Royal Society of Chemistry | Place of Publication | Cambridge | Editor | |
Language | Wos | 000400553000077 | Publication Date | 2017-03-23 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2041-6520 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 8.668 | Times cited | 168 | Open Access | OpenAccess |
Notes | ; B. B., T. S. and I. S. acknowledge the FWO Flanders (doctoral and post-doctoral grants). T. W. acknowledges a post-doctoral grant from the Swedish Research Council. T. D. B. acknowledges the Royal Society (University Research Fellowship) and Trinity Hall (University of Cambridge) for funding. S. B. and D. D. V. are grateful for funding by Belspo (IAP 7/05 P6/27) and by the FWO Flanders. D. D. V. further acknowledges funding from the European Research Council (project H-CCAT). S. B. acknowledges financial support from the European Research Council (ERC Starting Grant #335078-COLOURATOMS). The authors acknowledge Arnau Carne and Shuhei Furukawa for assistance with supercritical CO<INF>2</INF> extraction, and Charles Ghesquiere for assistance in synthesis. ; Ecas_Sara | Approved | Most recent IF: 8.668 | ||
Call Number | UA @ lucian @ c:irua:152643UA @ admin @ c:irua:152643 | Serial | 5143 | ||
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Author | Smits, J.; Van Grieken, R. | ||||
Title | Chelating 2,2′-diaminodiethylamine cellulose filters and X-ray fluorescence for preconcentration and trace analysis of natural waters | Type | A1 Journal article | ||
Year | 1981 | Publication | International journal of environmental analytical chemistry | Abbreviated Journal | |
Volume | 9 | Issue | 2 | Pages | 81-92 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract ![]() |
The 2,2′-diaminodiethylamine (DEN) functional group can be expected to have ideal properties for the chelation of transition metals and their collection from aqueous solutions, independent of the alkali and alkaline earth ions concentration. Introducing DEN into cellulose filters allows straightforward preconcentration of trace cations by a simple filtration step, and the DEN-filter constitutes a suitable target for X-ray fluorescence (XRF) analysis. The linearity between the XRF-response on the loaded DEN-filter and the trace cation concentration in the solution appears excellent, up to a total filter capacity of ca. 3 μeq.cm−2. The detection limits are around 0.5 μg. l−1 in most practical cases. Accuracy and precision are around 10%. The applicability of the proposed procedure is illustrated on a comparative basis by XRF-analysis of drinking water and surface water, after preconcentration by DEN-filtration and by alternative procedures. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | A1981LF48000001 | Publication Date | 2007-07-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0306-7319 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:116571 | Serial | 7638 | ||
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Author | Arenas-Vivo, A.; Rojas, S.; Ocaña, I.; Torres, A.; Liras, M.; Salles, F.; Arenas-Esteban, D.; Bals, S.; Ávila, D.; Horcajada, P. | ||||
Title | Ultrafast reproducible synthesis of a Ag-nanocluster@MOF composite and its superior visible-photocatalytic activity in batch and in continuous flow | Type | A1 Journal article | ||
Year | 2021 | Publication | Journal Of Materials Chemistry A | Abbreviated Journal | J Mater Chem A |
Volume | 9 | Issue | 28 | Pages | 15704-15713 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
The (photo)catalytic properties of metal–organic frameworks (MOFs) can be enhanced by post-synthetic inclusion of metallic species in their porosity. Due to their extraordinarily high surface area and well defined porous structure, MOFs can be used for the stabilization of metal nanoparticles with adjustable size within their porosity. Originally, we present here an optimized ultrafast photoreduction protocol for the<italic>in situ</italic>synthesis of tiny and monodisperse silver nanoclusters (AgNCs) homogeneously supported on a photoactive porous titanium carboxylate MIL-125-NH<sub>2</sub>MOF. The strong metal–framework interaction between –NH<sub>2</sub>and Ag atoms influences the AgNC growth, leading to the surfactant-free efficient catalyst AgNC@MIL-125-NH<sub>2</sub>with improved visible light absorption. The potential use of AgNC@MIL-125-NH<sub>2</sub>was further tested in challenging applications: (i) the photodegradation of the emerging organic contaminants (EOCs) methylene blue (MB-dye) and sulfamethazine (SMT-antibiotic) in water treatment, and (ii) the catalytic hydrogenation of<italic>p</italic>-nitroaniline (4-NA) to<italic>p</italic>-phenylenediamine (PPD) with industrial interest. It is noteworthy that compared with the pristine MIL-125-NH<sub>2</sub>, the composite presents an improved catalytic activity and stability, being able to photodegrade 92% of MB in 60 min and 96% of SMT in 30 min, and transform 100% of 4-NA to PPD in 30 min. Aside from these very good results, this study describes for the first time the use of a MOF in a visible light continuous flow reactor for wastewater treatment. With only 10 mg of AgNC@MIL-125-NH<sub>2</sub>, high SMT removal efficiency over 70% is maintained after >2 h under water flow conditions found in real wastewater treatment plants, signaling a future real application of MOFs in water remediation. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000671839200001 | Publication Date | 2021-06-21 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2050-7488 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 8.867 | Times cited | 18 | Open Access | OpenAccess |
Notes | Comunidad de Madrid, CAM PEJD-2016/IND-2828 Talento Modality 2, 2017-T2/IND-5149 ; Secretaría de Estado de Investigación, Desarrollo e Innovación, Raphuel project (ENE2016-79608-C2-1-R) Retos Project MAT2017-84385-R ; Ministerio de Ciencia e Innovación, Juan de la Cierva Incorporación Fellowship (grant agreement no. IJC2019-038894-I) MOFSEIDON project (PID2019-104228RB-I00) Ramón y Cajal, Grant Agreements 2014-15039 and 2015-18677 ; Fundación BBVA, IN[17]CBBQUI_0197 ; H2020 European Research Council, ERC Consolidator Grant REALNANO 815128 Grant Agreement no. 731019 (EUSMI) ; sygmaSB; | Approved | Most recent IF: 8.867 | ||
Call Number | EMAT @ emat @c:irua:179791 | Serial | 6802 | ||
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Author | Yan, L.; Niu, H.J.; Duong, G.V.; Suchomel, M.R.; Bacsa, J.; Chalker, P.R.; Hadermann, J.; Van Tendeloo, G.; Rosseinsky, M.J. | ||||
Title | Cation ordering within the perovskite block of a six-layer Ruddlesden-Popper oxide from layer-by-layer growth artificial interfaces in complex unit cells | Type | A1 Journal article | ||
Year | 2011 | Publication | Chemical science | Abbreviated Journal | Chem Sci |
Volume | 2 | Issue | 2 | Pages | 261-272 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
The (AO)(ABO3)n Ruddlesden-Popper structure is an archetypal complex oxide consisting of two distinct structural units, an (AO) rock salt layer separating an n-octahedra thick perovskite block. Conventional high-temperature oxide synthesis methods cannot access members with n > 3, but low-temperature layer-by-layer thin film methods allow the preparation of materials with thicker perovskite blocks, exploiting high surface mobility and lattice matching with the substrate. This paper describes the growth of an n = 6 member CaO[(CSMO)2(LCMO)2 (CSMO)2] in which the six unit cell perovskite block is sub-divided into two central La0.67Ca0.33MnO3 (LCMO) and two terminal Ca0.85Sm0.15MnO3 (CSMO) layers to allow stabilization of the rock salt layer and variation of the transition metal charge. | ||||
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Publisher | Royal Society of Chemistry | Place of Publication | Cambridge | Editor | |
Language | Wos | 000286327600010 | Publication Date | 2010-11-06 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2041-6520;2041-6539; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 8.668 | Times cited | 16 | Open Access | |
Notes | Approved | Most recent IF: 8.668; 2011 IF: 7.525 | |||
Call Number | UA @ lucian @ c:irua:88652 | Serial | 300 | ||
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Author | Rusakov, D.; Abakumov, A.M.; Yamaura, K.; Belik, A.A.; Van Tendeloo, G.; Takayama-Muromachi, E. | ||||
Title | Structural evolution of the BiFeO3-LaFeO3 system | Type | A1 Journal article | ||
Year | 2011 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 23 | Issue | 2 | Pages | 285-292 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
The (1 − x)BiFeO3−xLaFeO3 system has been investigated and characterized by room-temperature and high-temperature laboratory and synchrotron powder X-ray diffraction, electron diffraction, high-resolution transmission electron microscopy, differential scanning calorimetry, and magnetization measurements. At room temperature, the ferroelectric R3c phase is observed for 0.0 ≤ x ≤ 0.10. The PbZrO3-related √2ap × 2√2ap × 4ap superstructure (where ap is the parameter of the cubic perovskite subcell) is observed for Bi0.82La0.18FeO3, while an incommensurately modulated phase is formed for 0.19 ≤ x ≤ 0.30 with the √2ap × 2ap × √2ap basic unit cell. The GdFeO3-type phase with space group Pnma (√2ap × 2ap × √2ap) is stable at 0.50 ≤ x ≤ 1. Bi0.82La0.18FeO3 has no detectable homogeneity range (space group Pnam, a = 5.6004(1) Å, b = 11.2493(3) Å, c = 15.6179(3) Å). The incommensurately modulated Bi0.75La0.25FeO3 structure was solved from synchrotron X-ray powder diffraction data (Imma(00γ)s00 superspace group, a = 5.5956(1) Å, b = 7.8171(1) Å, c = 5.62055(8) Å, q = 0.4855(4)c*, RP = 0.023, RwP = 0.033). In this structure, cooperative displacements of the Bi and O atoms occur, which order within the (AO) (where A = Bi, La) layers, resulting in an antipolar structure. Local fluctuations of the intralayer antipolar ordering are compensated by an interaction with the neighboring (AO) layers. A coupling of the antipolar displacements with the cooperative tilting distortion of the perovskite octahedral framework is proposed as the origin of the incommensurability. All the phases transform to the GdFeO3-type structure at high temperatures. Bi0.82La0.18FeO3 shows an intermediate PbZrO3-type phase with √2ap × 2√2ap × 2ap (space group Pbam; a = 5.6154(2) Å, b = 11.2710(4) Å, and c = 7.8248(2) Å at 570 K). The compounds in the compositional range of 0.18 ≤ x ≤ 0.95 are canted antiferromagnets. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Washington, D.C. | Editor | ||
Language | Wos | 000286160800021 | Publication Date | 2010-12-23 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0897-4756;1520-5002; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.466 | Times cited | 133 | Open Access | |
Notes | Approved | Most recent IF: 9.466; 2011 IF: 7.286 | |||
Call Number | UA @ lucian @ c:irua:88650 | Serial | 3236 | ||
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Author | Abakumov, A.M.; Alekseeva, A.M.; Rozova, M.G.; Antipov, E.V.; Lebedev, O.I.; Van Tendeloo, G. | ||||
Title | Ordering of tetrahedral chains in the Sr2MnGaO5 brownmillerite | Type | A1 Journal article | ||
Year | 2003 | Publication | Journal of solid state chemistry | Abbreviated Journal | J Solid State Chem |
Volume | 174 | Issue | 2 | Pages | 319-328 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Tetrahedral chain ordering in the Sr2MnGaO5 structure is studied using electron diffraction (ED) and high-resolution electron microscopy. The ED patterns show the presence of satellite reflections, which indicate a commensurately modulated structure with a = 5.4056(8) Angstrom b 16.171(3) Angstrom, c = 5.5592(7) Angstrom, q – 1/2c*, superspace group Immma(00gamma,)s00. The Superstructure arises due to ordering of the two types of symmetry related tetrahedral chains (L and R) according to a ... LRLR ... sequence, where L and R chains alternate along the c-axis within the same (GaO) layer. Numerous defects at different structural levels were observed, comprising interleaving L and R chains, violation of the ... LRLR ... chain sequence within one layer, different stacking modes of the ... LRLR ... ordered layers with subsequent alternation of blocks of different width along the h-axis of the brownmillerite subcell and island fragmentation of the modulated superstructure. By in situ heating ED experiments it is found that the long-range ordering of the tetrahedral chains is stable tip to 665degreesC and is completely suppressed at 905degreesC. (C) 2003 Elsevier Inc. All rights reserved. | ||||
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Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000185180500011 | Publication Date | 2003-07-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-4596; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.299 | Times cited | 34 | Open Access | |
Notes | Approved | Most recent IF: 2.299; 2003 IF: 1.413 | |||
Call Number | UA @ lucian @ c:irua:94846 | Serial | 2506 | ||
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Author | Frolov, D.D.; Kotovshchikov, Y.N.; Morozov, I.V.; Boltalin, A.I.; Fedorova, A.A.; Marikutsa, A.V.; Rumyantseva, M.N.; Gaskov, A.M.; Sadovskaya, E.M.; Abakumov, A.M. | ||||
Title | Oxygen exchange on nanocrystalline tin dioxide modified by palladium | Type | A1 Journal article | ||
Year | 2012 | Publication | Journal of solid state chemistry | Abbreviated Journal | J Solid State Chem |
Volume | 186 | Issue | Pages | 1-8 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Temperature-programmed oxygen isotopic exchange study was performed on nanocrystalline tin dioxide-based materials synthesized via sol-gel route and modified by palladium. Such materials are widely used as resistive gas sensors. The experiments were carried out in a flow-reactor up to complete isotopic substitution of oxygen. Substantial rates of isotopic exchange for SnO2 were observed from about 700 K. The distribution of isotopic molecules O-16(2). (OO)-O-16-O-18 and O-18(2) corresponds to simple dioxygen heteroexchange mechanism with single lattice oxygen atom. The modification of SnO2 by Pd introduced multiple heteroexchange mechanism with preliminary O-2 dissociation on the clusters surface. Spill-over of atomic oxygen from Pd to the surface of SnO2 and fast exchange with lattice oxygen result in more than 100% increase of apparent heteroexchange rate. The exchange on SnO2/Pd was shown to be a complex process involving partial deactivation of the catalytic centers at temperature higher than 750 K. (C) 2011 Elsevier Inc. All rights reserved. | ||||
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Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000299801400001 | Publication Date | 2011-12-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-4596; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.299 | Times cited | 34 | Open Access | |
Notes | Approved | Most recent IF: 2.299; 2012 IF: 2.040 | |||
Call Number | UA @ lucian @ c:irua:96202 | Serial | 2546 | ||
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Author | Lin, A.; Gromov, M.; Nikiforov, A.; Smits, E.; Bogaerts, A. | ||||
Title | Characterization of Non-Thermal Dielectric Barrier Discharges for Plasma Medicine: From Plastic Well Plates to Skin Surfaces | Type | A1 Journal Article | ||
Year | 2023 | Publication | Plasma Chemistry and Plasma Processing | Abbreviated Journal | Plasma Chem Plasma Process |
Volume | 43 | Issue | 6 | Pages | 1587-1612 |
Keywords | A1 Journal Article; Non-thermal plasma · Plasma medicine · Dielectric barrier discharge · Plasma diagnostics · Plasma surface interaction · In situ plasma monitoring; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
Abstract ![]() |
technologies have been expanding, and one of the most exciting and rapidly growing applications is in biology and medicine. Most biomedical studies with DBD plasma systems are performed in vitro, which include cells grown on the surface of plastic well plates, or in vivo, which include animal research models (e.g. mice, pigs). Since many DBD systems use the biological target as the secondary electrode for direct plasma generation and treatment, they are sensitive to the surface properties of the target, and thus can be altered based on the in vitro or in vivo system used. This could consequently affect biological response from plasma treatment. Therefore, in this study, we investigated the DBD plasma behavior both in vitro (i.e. 96-well flat bottom plates, 96-well U-bottom plates, and 24-well flat bottom plates), and in vivo (i.e. mouse skin). Intensified charge coupled device (ICCD) imaging was performed and the plasma discharges were visually distinguishable between the different systems. The geometry of the wells did not affect DBD plasma generation for low application distances (≤ 2 mm), but differentially affected plasma uniformity on the bottom of the well at greater distances. Since DBD plasma treatment in vitro is rarely performed in dry wells for plasma medicine experiments, the effect of well wetness was also investigated. In all in vitro cases, the uniformity of the DBD plasma was affected when comparing wet versus dry wells, with the plasma in the wide-bottom wells appearing the most similar to plasma generated on mouse skin. Interestingly, based on quantification of ICCD images, the DBD plasma intensity per surface area demonstrated an exponential one-phase decay with increasing application distance, regardless of the in vitro or in vivo system. This trend is similar to that of the energy per pulse of plasma, which is used to determine the total plasma treatment energy for biological systems. Optical emission spectroscopy performed on the plasma revealed similar trends in radical species generation between the plastic well plates and mouse skin. Therefore, taken together, DBD plasma intensity per surface area may be a valuable parameter to be used as a simple method for in situ monitoring during biological treatment and active plasma treatment control, which can be applied for in vitro and in vivo systems. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 001072607700001 | Publication Date | 2023-09-27 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0272-4324 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.6 | Times cited | Open Access | Not_Open_Access | |
Notes | This work was partially funded by the Research Foundation—Flanders (FWO) and supported by the following Grants: 12S9221N (A. L.), G044420N (A. L. and A. B.), and G033020N (A.B.). We would also like to thank several patrons, as part of this research was funded by donations from different donors, including Dedert Schilde vzw, Mr Willy Floren, and the Vereycken family. We would also like to acknowledge the support from the European Cooperation in Science & Technology (COST) Action on “Therapeutical applications of Cold Plasmas” (CA20114; PlasTHER). | Approved | Most recent IF: 3.6; 2023 IF: 2.355 | ||
Call Number | PLASMANT @ plasmant @c:irua:200285 | Serial | 8970 | ||
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Author | Alfeld, M.; Wahabzada, M.; Bauckhage, C.; Kersting, K.; van der Snickt, G.; Noble, P.; Janssens, K.; Wellenreuther, G.; Falkenberg, G. | ||||
Title | Simplex Volume Maximization (SiVM): a matrix factorization algorithm with non-negative constrains and low computing demands for the interpretation of full spectral X-ray fluorescence imaging data | Type | A1 Journal article | ||
Year | 2017 | Publication | Microchemical journal | Abbreviated Journal | Microchem J |
Volume | 132 | Issue | Pages | 179-184 | |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract ![]() |
Technological progress allows for an ever-faster acquisition of hyperspectral data, challenging the users to keep up with interpreting the recorded data. Matrix factorization, the representation of data sets by bases (or loads) and coefficient (or score) images is long used to support the interpretation of complex data sets. We propose in this publication Simplex Volume Maximization (SiVM) for the analysis of X-ray fluorescence (XRF) imaging data sets. SiVM selects archetypical data points that represents the data set and thus provides easily understandable bases, preserves the non-negative character of XRF data sets and has low demands concerning computing resources. We apply SiVM on an XRF data set of Hans Memling's Portrait of a man from the Lespinette family from the collection of the Mauritshuis (The Hague, NL) and discuss capabilities and shortcomings of SiVM. (C) 2017 Elsevier B.V. All rights reserved. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000399845700026 | Publication Date | 2017-02-04 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0026-265x; 0026-265x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.034 | Times cited | 8 | Open Access | |
Notes | ; The German Federal Ministry of Education and Research (BMBF) is acknowledged for the financial support (Verbundprojekt 05K2012 POISSON: Fortschrittliche Faktorenanalyse ffir Poisson-verteilte Daten). ; | Approved | Most recent IF: 3.034 | ||
Call Number | UA @ admin @ c:irua:152647 | Serial | 5830 | ||
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Author | van der Stam, W.; Gradmann, S.; Altantzis, T.; Ke, X.; Baldus, M.; Bals, S.; de Mello Donega, C. | ||||
Title | Shape Control of Colloidal Cu2-x S Polyhedral Nanocrystals by Tuning the Nucleation Rates | Type | A1 Journal article | ||
Year | 2016 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 28 | Issue | 28 | Pages | 6705-6715 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Synthesis protocols for colloidal nanocrystals (NCs) with narrow size and shape distributions are of particular interest for the successful implementation of these nanocrystals into devices. Moreover, the preparation of NCs with well-defined crystal phases is of key importance. In this work, we show that Sn(IV)-thiolate complexes formed in situ strongly influence the nucleation and growth rates of colloidal Cu2-x S polyhedral NCs, thereby dictating their final size, shape, and crystal structure. This allowed us to successfully synthesize hexagonal bifrustums and hexagonal bipyramid NCs with low-chalcocite crystal structure, and hexagonal nanoplatelets with various thicknesses and aspect ratios with the djurleite crystal structure, by solely varying the concentration of Sn(IV)-additives (namely, SnBr4) in the reaction medium. Solution and solid-state 119Sn NMR measurements show that SnBr4 is converted in situ to Sn(IV)-thiolate complexes, which increase the Cu2-x S nucleation barrier without affecting the precursor conversion rates. This influences both the nucleation and growth rates in a concentration-dependent fashion and leads to a better separation between nucleation and growth. Our approach of tuning the nucleation and growth rates with in situ-generated Sn-thiolate complexes might have a more general impact due to the availability of various metal-thiolate complexes, possibly resulting in polyhedral NCs of a wide variety of metal-sulfide compositions. | ||||
Address | Condensed Matter and Interfaces, Debye Institute for Nanomaterials Science, Utrecht University , P.O. Box 80000, 3508 TA Utrecht, The Netherlands | ||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | English | Wos | 000384399000037 | Publication Date | 2016-09-02 |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.466 | Times cited | 27 | Open Access | OpenAccess |
Notes | W.v.d.S. and C.d.M.D. acknowledge financial support from the division of Chemical Sciences (CW) of The Netherlands Organization for Scientific Research (NWO) under grant number ECHO.712.012.001. M.B. also gratefully acknowledges NWO for funding the NMR infrastructure (Middle Groot program, grant number 700.58.102). S.B. acknowledges financial support from the European Research Council (ERC Starting Grant # 335078-COLOURATOMS).; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); | Approved | Most recent IF: 9.466 | ||
Call Number | EMAT @ emat @ c:irua:135928 | Serial | 4285 | ||
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Author | Xia, C.; Winckelmans, N.; Prins, P.T.; Bals, S.; Gerritsen, H.C.; de Mello Donegá, C. | ||||
Title | Near-Infrared-Emitting CuInS2/ZnS Dot-in-Rod Colloidal Heteronanorods by Seeded Growth | Type | A1 Journal article | ||
Year | 2018 | Publication | Journal of the American Chemical Society | Abbreviated Journal | J Am Chem Soc |
Volume | 140 | Issue | 140 | Pages | 5755-5763 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Synthesis protocols for anisotropic CuInX2 (X = S, Se, Te)-based heteronanocrystals (HNCs) are scarce due to the difficulty in balancing the reactivities of multiple precursors and the high solid-state diffusion rates of the cations involved in the CuInX2 lattice. In this work, we report a multistep seeded growth synthesis protocol that yields colloidal wurtzite CuInS2/ZnS dot core/rod shell HNCs with photoluminescence in the NIR (∼800 nm). The wurtzite CuInS2 NCs used as seeds are obtained by topotactic partial Cu+ for In3+ cation exchange in template Cu2–xS NCs. The seed NCs are injected in a hot solution of zinc oleate and hexadecylamine in octadecene, 20 s after the injection of sulfur in octadecene. This results in heteroepitaxial growth of wurtzite ZnS primarily on the Sulfur-terminated polar facet of the CuInS2 seed NCs, the other facets being overcoated only by a thin (∼1 monolayer) shell. The fast (∼21 nm/min) asymmetric axial growth of the nanorod proceeds by addition of [ZnS] monomer units, so that the polarity of the terminal (002) facet is preserved throughout the growth. The delayed injection of the CuInS2 seed NCs is crucial to allow the concentration of [ZnS] monomers to build up, thereby maximizing the anisotropic heteroepitaxial growth rates while minimizing the rates of competing processes (etching, cation exchange, alloying). Nevertheless, a mild etching still occurred, likely prior to the onset of heteroepitaxial overgrowth, shrinking the core size from 5.5 to ∼4 nm. The insights provided by this work open up new possibilities in designing multifunctional Cu-chalcogenide based colloidal heteronanocrystals. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000431600000016 | Publication Date | 2018-03-29 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0002-7863 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 13.858 | Times cited | 43 | Open Access | OpenAccess |
Notes | Chenghui Xia acknowledges China Scholarship Council (CSC) for financial support (NO. 201406330055). S.B and N.W. acknowledge funding from the European Research Council (Starting Grant No. COLOURATOMS 335078). 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.712.014.001. The authors thank Xiaobin Xie and Da Wang for some TEM measurements, Donglong Fu for XRD measurements, Christina H. M. van Oversteeg for ICP-OES measurements, and Chun-Che Lin for suggestions regarding the synthesis. ECAS_Sara (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); | Approved | Most recent IF: 13.858 | ||
Call Number | EMAT @ emat @c:irua:150362UA @ admin @ c:irua:150362 | Serial | 4917 | ||
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Author | Aerts, A.; Follens, L.R.A.; Biermans, E.; Bals, S.; Van Tendeloo, G.; Loppinet, B.; Kirschhock, C.E.A.; Martens, J.A. | ||||
Title | Modelling of synchrotron SAXS patterns of silicalite-1 zeolite during crystallization | Type | A1 Journal article | ||
Year | 2011 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
Volume | 13 | Issue | 10 | Pages | 4318-4325 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Synchrotron small angle X-ray scattering (SAXS) was used to characterize silicalite-1 zeolite crystallization from TEOS/TPAOH/water clear sol. SAXS patterns were recorded over a broad range of length scales, enabling the simultaneous monitoring of nanoparticles and crystals occurring at various stages of the synthesis. A simple two-population model accurately described the patterns. Nanoparticles were modeled by polydisperse coreshell spheres and crystals by monodisperse oblate ellipsoids. These models were consistent with TEM images. The SAXS results, in conjunction with in situ light scattering, showed that nucleation of crystals occurred in a short period of time. Crystals were uniform in size and shape and became increasingly anisotropic during growth. In the presence of nanoparticles, crystal growth was fast. During crystal growth, the number of nanoparticles decreased gradually but their size was constant. These observations suggested that the nanoparticles were growth units in an aggregative crystal growth mechanism. Crystals grown in the presence of nanoparticles developed a faceted habit and intergrowths. In the final stages of growth, nanoparticles were depleted. Concurrently, the crystal growth rate decreased significantly. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Cambridge | Editor | ||
Language | Wos | 000287584700017 | Publication Date | 2011-01-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1463-9076;1463-9084; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.123 | Times cited | 22 | Open Access | |
Notes | Fwo; Iap; Esteem 026019 | Approved | Most recent IF: 4.123; 2011 IF: 3.573 | ||
Call Number | UA @ lucian @ c:irua:87602 | Serial | 2155 | ||
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Author | Cagno, S.; Brede, D.A.; Nuyts, G.; Vanmeert, F.; Pacureanu, A.; Tucoulou, R.; Cloetens, P.; Falkenberg, G.; Janssens, K.; Salbu, B.; Lind, O.C. | ||||
Title | Combined computed nanotomography and nanoscopic x-ray fluorescence imaging of cobalt nanoparticles in caenorhabditis elegans | Type | A1 Journal article | ||
Year | 2017 | Publication | Analytical chemistry | Abbreviated Journal | Anal Chem |
Volume | 89 | Issue | 21 | Pages | 11435-11442 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract ![]() |
Synchrotron radiation phase-contrast computed nanotomography (nano-CT) and two-and three-dimensional (2D and 3D) nanoscopic X-ray fluorescence (nano-XRF) were used to investigate the internal distribution of engineered-cobalt nanoparticles (Co NPs) in exposed individuals of the nematode Caenorhabditis elegans. Whole-nematodes and selected tissues and organs were 3D-rendered: anatomical 3D renderings with 50 nm voxel size enabled the visualization of spherical nanoparticle aggregates. with size tip to 200 nm within intact C. elegans. A 20 X 37 nm(2) high-brilliance beam was employed to obtain XRF elemental distribution maps of entire nematodes or anatomical details such as embryos, which could be compared with the CT data, These maps showed Co NPs to be predominantly present within the intestine and the epithelium, and they were not colocalized with Zn granules found in the lysosonie-containing vesicles or Fe agglomerates in the intestine. Iterated XRF scanning of a specimen at 0 degrees and 90 degrees angles suggested that NP aggregates were translocated into tissues outside of the intestinal lumen. Virtual-slicing by means of 2D XRF tomography, combined with holotomography, indicated presumable presence of individual NP aggregates inside the uterus and within embryos. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000414887000041 | Publication Date | 2017-10-10 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0003-2700; 5206-882x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.32 | Times cited | 13 | Open Access | |
Notes | ; This study has been funded by the Norwegian Research Council through its Centre of Excellence (CoE) funding scheme (Project 223268/F50). We gratefully acknowledge ESRF and DESY for granting beamtime and Karl Andreas Jensen for performing ICPMS analysis. We thank Erica Maremonti for supplying the phase-contrast image used in Figure ^1A. ; | Approved | Most recent IF: 6.32 | ||
Call Number | UA @ admin @ c:irua:147383 | Serial | 5520 | ||
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Author | Monico, L.; Cotte, M.; Vanmeert, F.; Amidani, L.; Janssens, K.; Nuyts, G.; Garrevoet, J.; Falkenberg, G.; Glatzel, P.; Romani, A.; Miliani, C. | ||||
Title | Damages induced by synchrotron radiation-based X-ray microanalysis in chrome yellow paints and related Cr-compounds : assessment, quantification, and mitigation strategies | Type | A1 Journal article | ||
Year | 2020 | Publication | Analytical Chemistry | Abbreviated Journal | Anal Chem |
Volume | 92 | Issue | 20 | Pages | 14164-14173 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract ![]() |
Synchrotron radiation (SR)-based X-ray methods are powerful analytical tools for several purposes. They are widely used to probe the degradation mechanisms of inorganic artists' pigments in paintings, including chrome yellows (PbCr1-xSxO4; 0 <= x <= 0.8), a class of compounds often found in Van Gogh masterpieces. However, the high intensity and brightness of SR beams raise important issues regarding the potential damage inflicted on the analyzed samples. A thorough knowledge of the SR X-ray sensitivity of each class of pigment in the painting matrix is therefore required to find analytical strategies that seek to minimize the damage for preserving the integrity of the analyzed samples and to avoid data misinterpretation. Here, we employ a combination of Cr K-edge X-ray absorption near-edge structure spectroscopy, Cr-K-beta X-ray emission spectroscopy, and X-ray diffraction to monitor and quantify the effects of SR X-rays on the stability of chrome yellows and related Cr compounds and to define mitigation strategies. We found that the SR X-ray beam exposure induces changes in the oxidation state and local coordination environment of Cr ions and leads to a loss of the compound's crystalline structure. The extent of X-ray damage depends on some intrinsic properties of the samples (chemical composition of the pigment and the presence/absence and nature of the binder). It can be minimized by optimizing the overall fluence/dose released to the samples and by working in vacuum and under cryogenic conditions. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000584418100072 | Publication Date | 2020-09-21 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0003-2700; 5206-882x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 7.4 | Times cited | Open Access | ||
Notes | Approved | Most recent IF: 7.4; 2020 IF: 6.32 | |||
Call Number | UA @ admin @ c:irua:174363 | Serial | 7754 | ||
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Author | Bekermann, D.; Gasparotto, A.; Barreca, D.; Devi, A.; Fischer, R.A.; Kete, M.; Štangar, U.L.; Lebedev, O.I.; Maccato, C.; Tondello, E.; Van Tendeloo, G. | ||||
Title | ZnO nanorod arrays by plasma-enhanced CVD for light-activated functional applications | Type | A1 Journal article | ||
Year | 2010 | Publication | ChemPhysChem : a European journal of chemical physics and physical chemistry | Abbreviated Journal | Chemphyschem |
Volume | 11 | Issue | 11 | Pages | 2337-2340 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Switch of the surface properties: Supported ZnO nanorod arrays with tailored roughness and aspect ratios are successfully synthesized by plasma-enhanced chemical vapor deposition. Such nanostructures exhibit significant superhydrophilic and photocatalytic properties tunable as a function of their morphological organization (see picture). This renders them promising building blocks for the fabrication of stimuli-responsive materials. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Weinheim | Editor | ||
Language | Wos | 000281061500008 | Publication Date | 2010-06-16 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1439-4235;1439-7641; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.075 | Times cited | 38 | Open Access | |
Notes | Esteem 026019 | Approved | Most recent IF: 3.075; 2010 IF: 3.340 | ||
Call Number | UA @ lucian @ c:irua:84594 | Serial | 3935 | ||
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Author | Goris, B.; Guzzinati, G.; Fernández-López, C.; Pérez-Juste, J.; Liz-Marzán, L.M.; Trügler, A.; Hohenester, U.; Verbeeck, J.; Bals, S.; Van Tendeloo, G. | ||||
Title | Plasmon mapping in Au@Ag nanocube assemblies | Type | A1 Journal article | ||
Year | 2014 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal | J Phys Chem C |
Volume | 118 | Issue | 28 | Pages | 15356-15362 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Surface plasmon modes in metallic nanostructures largely determine their optoelectronic properties. Such plasmon modes can be manipulated by changing the morphology of the nanoparticles or by bringing plasmonic nanoparticle building blocks close to each other within organized assemblies. We report the EELS mapping of such plasmon modes in pure Ag nanocubes, Au@Ag coreshell nanocubes, and arrays of Au@Ag nanocubes. We show that these arrays enable the creation of interesting plasmonic structures starting from elementary building blocks. Special attention will be dedicated to the plasmon modes in a triangular array formed by three nanocubes. Because of hybridization, a combination of such nanotriangles is shown to provide an antenna effect, resulting in strong electrical field enhancement at the narrow gap between the nanotriangles. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Washington, D.C. | Editor | ||
Language | Wos | 000339368700031 | Publication Date | 2014-06-27 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1932-7447;1932-7455; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.536 | Times cited | 41 | Open Access | OpenAccess |
Notes | Fwo; 246791 Countatoms; 278510 Vortex; 335078 Colouratom; 262348 Esmi ECASJO;; ECASSara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); | Approved | Most recent IF: 4.536; 2014 IF: 4.772 | ||
Call Number | UA @ lucian @ c:irua:118099UA @ admin @ c:irua:118099 | Serial | 2644 | ||
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Author | Jafarzadeh, A.; Bal, K.M.; Bogaerts, A.; Neyts, E.C. | ||||
Title | CO2 activation on TiO2-supported Cu5 and Ni5 nanoclusters : effect of plasma-induced surface charging | Type | A1 Journal article | ||
Year | 2019 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal | J Phys Chem C |
Volume | 123 | Issue | 11 | Pages | 6516-6525 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
Surface charging is an often overlooked factor in many plasma-surface interactions and in particular in plasma catalysis. In this study, we investigate the effect of excess electrons induced by a plasma on the adsorption properties of CO2 on titania-supported Cu-5 and Ni-5 clusters using spin-polarized and dispersion-corrected density functional theory calculations. The effect of excess electrons on the adsorption of Ni and Cu pentamers as well as on CO2 adsorption on a pristine anatase TiO2(101) slab is studied. Our results indicate that adding plasma-induced excess electrons to the system leads to further stabilization of the bent CO2 structure. Also, dissociation of CO2 on charged clusters is energetically more favorable than on neutral clusters. We hypothesize that surface charge is a plausible cause for the synergistic effects sometimes observed in plasma catalysis. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000462260700024 | Publication Date | 2019-02-21 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1932-7447; 1932-7455 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.536 | Times cited | 4 | Open Access | OpenAccess |
Notes | Approved | Most recent IF: 4.536 | |||
Call Number | UA @ admin @ c:irua:159422 | Serial | 5281 | ||
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Author | Wang, Y.; Sentosun, K.; Li, A.; Coronado-Puchau, M.; Sánchez-Iglesias, A.; Li, S.; Su, X.; Bals, S.; Liz-Marzán, L.M. | ||||
Title | Engineering Structural Diversity in Gold Nanocrystals by Ligand-Mediated Interface Control | Type | A1 Journal article | ||
Year | 2015 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 27 | Issue | 27 | Pages | 8032-8040 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Surface and interface control is fundamentally important for crystal growth engineering, catalysis, surface enhanced spectroscopies, and self-assembly, among other processes and applications. Understanding the role of ligands in regulating surface properties of plasmonic metal nanocrystals during growth has received considerable attention. However, the underlying mechanisms and the diverse functionalities of ligands are yet to be fully addressed. In this contribution, we report a systematic study of ligand-mediated interface control in seeded growth of gold nanocrystals, leading to diverse and exotic nanostructures with an improved surface enhanced Raman scattering (SERS) activity. Three dimensional transmission electron microscopy (3D TEM) revealed an intriguing gold shell growth process mediated by the bifunctional ligand 1,4-benzenedithiol (BDT), which leads to a unique crystal growth mechanism as compared to other ligands, and subsequently to the concept of interfacial energy control mechanism. Volmer-Weber growth mode was proposed to be responsible for BDT-mediated seeded growth, favoring the strongest interfacial energy and generating an asymmetric island growth pathway with internal crevices/gaps. This additionally favors incorporation of BDT at the plasmonic nanogaps, thereby generating strong SERS activity with a maximum efficiency for a core-semishell configuration obtained along seeded growth. Numerical modeling was used to explain this observation. Interestingly, the same strategy can be used to engineer the structural diversity of this system, by using gold nanoparticle seeds with various sizes and shapes, and varying the [Au3+]/[Au0] ratio. This rendered a series of diverse and exotic plasmonic nanohybrids such as semishell-coated gold nanorods, with embedded Raman-active tags and Janus surface with distinct surface functionalities. These would greatly enrich the plasmonic nanostructure toolbox for various studies and applications such as anisotropic nanocrystal engineering, SERS, and high-resolution Raman bioimaging or nanoantenna devices. |
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000366223200023 | Publication Date | 2015-10-09 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0897-4756;1520-5002; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.466 | Times cited | 18 | Open Access | OpenAccess |
Notes | The authors thank Bart Goris for his help with electron tomography. This work was funded by the European Commission (Grant #310445-2, SAVVY). The authors acknowledge financial support from European Research Council (ERC Advanced Grant # 267867- PLASMAQUO, ERC Starting Grant #335078-COLOURATOMS). The authors also appreciate financial support from the European Union under the Seventh Framework Program (Integrated Infrastructure Initiative N. 262348 European Soft Matter Infrastructure, ESMI). Wang Y. and Su X. would like to acknowledge the Agency for Science, Technology and Research (A*STAR), Singapore, for the financial support under the Grant JCO 14302FG096. M. C.-P. acknowledges an FPU scholarship from the Spanish Ministry of Education, Culture and Sports.; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); | Approved | Most recent IF: 9.466; 2015 IF: 8.354 | ||
Call Number | c:irua:129598 c:irua:129598 | Serial | 3972 | ||
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Author | Vermeiren, V.; Bogaerts, A. | ||||
Title | Supersonic Microwave Plasma: Potential and Limitations for Energy-Efficient CO2Conversion | Type | A1 Journal Article | ||
Year | 2018 | Publication | Journal Of Physical Chemistry C | Abbreviated Journal | J Phys Chem C |
Volume | 122 | Issue | 45 | Pages | 25869-25881 |
Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
Abstract ![]() |
Supersonic flows provide a high thermodynamic nonequilibrium, which is crucial for energy-efficient conversion of CO 2 in microwave plasmas and are therefore of great interest. However, the effect of the flow on the chemical reactions is poorly understood. In this work, we present a combined flow and plasma chemical kinetics model of a microwave CO 2 plasma in a Laval nozzle setup. The effects of the flow field on the different dissociation and recombination mechanisms, the vibrational distribution, and the vibrational transfer mechanism are discussed. In addition, the effect of experimental parameters, like position of power deposition, outlet pressure, and specific energy input, on the CO 2 conversion and energy efficiency is examined. The short residence time of the gas in the plasma region, the shockwave, and the maximum critical heat, and thus power, that can be added to the flow to avoid thermal choking are the main obstacles to reaching high energy efficiencies. |
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000451101400016 | Publication Date | 2018-11-15 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1932-7447 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.536 | Times cited | 5 | Open Access | Not_Open_Access |
Notes | Fonds Wetenschappelijk Onderzoek, G.0383.16N ; | Approved | Most recent IF: 4.536 | ||
Call Number | PLASMANT @ plasmant @c:irua:155412 | Serial | 5070 | ||
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Author | Nikolaev, A.V.; Michel, K.H. | ||||
Title | Superexchange and electron correlations in alkali fullerides AC60, A=K, Rb, Cs | Type | A1 Journal article | ||
Year | 2005 | Publication | The journal of chemical physics | Abbreviated Journal | J Chem Phys |
Volume | 122 | Issue | 6 | Pages | 064310-64314 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract ![]() |
Superexchange interactions in alkali fullerides AC(60) are derived for C-60 molecular ions separated by interstitial alkali-metal ions. We use a multiconfiguration approach which comprises the lowest molecular orbital states of the C-60 molecule and the excited s and d states of the alkali-metal atom A. Interactions are described by the valence bond (Heitler-London) method for a complex (C-60 – A – C-60) – with two valence electrons. The electronic charge transfer between the alkali-metal atom and a neighboring C-60 molecule is not complete. The occupation probability of excited d and s states of the alkali atom is not negligible. In correspondence with the relative positions of the C-60 molecules and A atoms in the polymer crystal, we consider 180degrees and 90degrees (angle) superexchange pathways. For the former case the ground state is found to be a spin singlet separated from a triplet at similar to20 K. For T < 20 K there appear strong spin correlations for the 180degrees superexchange pathway. The results are related to spin lattice relaxation experiments on CsC60 in the polymerized and in the quenched cubic phase. (C) 2005 American Institute of Physics. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | 000226918100018 | Publication Date | 2005-02-02 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9606; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.965 | Times cited | 11 | Open Access | |
Notes | Approved | Most recent IF: 2.965; 2005 IF: 3.138 | |||
Call Number | UA @ lucian @ c:irua:102740 | Serial | 3377 | ||
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Author | Bretos, I.; Schneller, T.; Falter, M.; Baecker, M.; Hollmann, E.; Woerdenweber, R.; Molina-Luna, L.; Van Tendeloo, G.; Eibl, O. | ||||
Title | Solution-derived YBa2Cu3O7-\delta (YBCO) superconducting films with BaZrO3 (BZO) nanodots based on reverse micelle stabilized nanoparticles | Type | A1 Journal article | ||
Year | 2015 | Publication | Journal of materials chemistry C : materials for optical and electronic devices | Abbreviated Journal | J Mater Chem C |
Volume | 3 | Issue | 3 | Pages | 3971-3979 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Superconducting YBa2Cu3O7-delta (YBCO) films with artificial BaZrO3 (BZO) nanodots were prepared using a chemical solution deposition method involving hybrid solutions composed of trifluoroacetate-based YBCO precursors and reverse micelle stabilized BZO nanoparticle dispersions. Microemulsion-mediated synthesis was used to obtain nano-sized (similar to 12 nm) and mono-dispersed BZO nanoparticles that preserve their features once introduced into the YBCO solution, as revealed by dynamic light scattering. Phase pure, epitaxial YBCO films with randomly oriented BZO nanodots distributed over their whole microstructure were grown from the hybrid solutions on (100) LaAlO3 substrates. The morphology of the YBCO-BZO nanocomposite films was strongly influenced by the amount of nanoparticles incorporated into the system, with contents ranging from 5 to 40 mol%. Scanning electron microscopy showed a high density of isolated second-phase defects consisting of BZO nanodots in the nanocomposite film with 10 mol% of BZO. Furthermore, a direct observation and quantitative analysis of lattice defects in the form of interfacial edge dislocations directly induced by the BZO nanodots was evidenced by transmission electron microscopy. The superconducting properties (77 K) of the YBCO films improved considerably by the presence of such nanodots, which seem to enhance the morphology of the sample and therefore the intergranular critical properties. The incorporation of preformed second-phase defects (here, BZO) during the growth of the superconducting phase is the main innovation of this novel approach for the all-solution based low-cost fabrication of long-length coated conductors. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000352870400018 | Publication Date | 2015-03-06 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2050-7526; 2050-7534 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 5.256 | Times cited | 19 | Open Access | |
Notes | This work was supported by the German Federal Ministry of Economics and Technology (BMWi) contract no. 0327433A (project ELSA). L. Molina-Luna and G. Van Tendeloo acknowledge funding from the European Research Council (ERC grant no. 24691-COUNTATOMS). The authors gratefully acknowledge J. Dornseiffer for the support with preparation of the microemulsions for the BZO nanoparticles; G. Wasse for the SEM images; and T. Po¨ssinger for the preparation of the artwork. Eurotape | Approved | Most recent IF: 5.256; 2015 IF: 4.696 | ||
Call Number | UA @ lucian @ c:irua:132575 | Serial | 4245 | ||
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Author | Canioni, R.; Roch-Marchal, C.; Sécheresse, F.; Horcajada, P.; Serre, C.; Hardi-Dan, M.; Férey, G.; Grenèche, J.-M.; Lefebvre, F.; Chang, J.-S.; Hwang, Y.-K.; Lebedev, O.; Turner, S.; Van Tendeloo, G. | ||||
Title | Stable polyoxometalate insertion within the mesoporous metal organic framework MIL-100(Fe) | Type | A1 Journal article | ||
Year | 2011 | Publication | Journal of materials chemistry | Abbreviated Journal | J Mater Chem |
Volume | 21 | Issue | 4 | Pages | 1226-1233 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Successful encapsulation of polyoxometalate (POM) within the framework of a mesoporous iron trimesate MIL-100(Fe) sample has been achieved by direct hydrothermal synthesis in the absence of fluorine. XRPD, 31P MAS NMR, IR, EELS, TEM and 57Fe Mössbauer spectrometry corroborate the insertion of POM within the cavities of the MOF. The experimental Mo/Fe ratio is 0.95, in agreement with the maximum theoretical amount of POM loaded within the pores of MIL-100(Fe), based on steric hindrance considerations. The POM-MIL-100(Fe) sample exhibits a pore volume of 0.373 cm3 g−1 and a BET surface area close to 1000 m2 g−1, indicating that small gas molecules can easily diffuse inside the cavities despite the presence of heavy phosphomolybdates. These latter contribute to the decrease in the overall surface area, due to the increase in molar weight, by 65%. Moreover, the resulting Keggin containing MIL-100(Fe) solid is stable in aqueous solution with no POM leaching even after more than 2 months. In addition, no exchange of the Keggin anions by tetrabutylammonium perchlorate in organic media has been observed. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Cambridge | Editor | ||
Language | Wos | 000286110400042 | Publication Date | 2010-11-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0959-9428;1364-5501; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 158 | Open Access | ||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ lucian @ c:irua:88642 | Serial | 3145 | ||
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Author | Spreitzer, M.; Klement, D.; Egoavil, R.; Verbeeck, J.; Kovac, J.; Zaloznik, A.; Koster, G.; Van Tendeloo, G.; Suvorov, D.; Rijnders, G. | ||||
Title | Growth mechanism of epitaxial SrTiO3 on a (1 x 2) + (2 x 1) reconstructed Sr(1/2 ML)/Si(001) surface | Type | A1 Journal article | ||
Year | 2020 | Publication | Journal Of Materials Chemistry C | Abbreviated Journal | J Mater Chem C |
Volume | 8 | Issue | 2 | Pages | 518-527 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Sub-monolayer control over the growth at silicon-oxide interfaces is a prerequisite for epitaxial integration of complex oxides with the Si platform, enriching it with a variety of functionalities. However, the control over this integration is hindered by the intense reaction of the constituents. The most suitable buffer material for Si passivation is metallic strontium. When it is overgrown with a layer of SrTiO3 (STO) it can serve as a pseudo-substrate for the integration with functional oxides. In our study we determined a mechanism for epitaxial integration of STO with a (1 x 2) + (2 x 1) reconstructed Sr(1/2 ML)/Si(001) surface using all-pulsed laser deposition (PLD) technology. A detailed analysis of the initial deposition parameters was performed, which enabled us to develop a complete protocol for integration, taking into account the peculiarities of the PLD growth, STO critical thickness, and process thermal budget, in order to kinetically trap the reaction between STO and Si and thus to minimize the thickness of the interface layer. The as-prepared oxide layer exhibits STO(001)8Si(001) out-of-plane and STO[110]8Si[100] in-plane orientation and together with recent advances in large-scale PLD tools these results represent a new technological solution for the implementation of oxide electronics on demand. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000506852400036 | Publication Date | 2019-10-28 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2050-7526; 2050-7534 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.4 | Times cited | 12 | Open Access | OpenAccess |
Notes | ; The research was financially supported by the Slovenian Research Agency (Project No. P2-0091, J2-9237) and Ministry of Education, Science and Sport of the Republic of Slovenia (SIOX projects). This work was also funded by the European Union Council under the 7th Framework Program grant no. NMP3-LA-2010-246102 IFOX. J. V. and G. V. T. acknowledge funding from the Fund for Scientific Research Flanders under project no. G.0044.13N. ; | Approved | Most recent IF: 6.4; 2020 IF: 5.256 | ||
Call Number | UA @ admin @ c:irua:165672 | Serial | 6298 | ||
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Author | Lorenz, H.; Zhao, Q.; Turner, S.; Lebedev, O.I.; Van Tendeloo, G.; Klötzer, B.; Rameshan, C.; Penner, S. | ||||
Title | Preparation and structural characterization of SnO2 and GeO2 methanol steam reforming thin film model catalysts by (HR)TEM | Type | A1 Journal article | ||
Year | 2010 | Publication | Materials chemistry and physics | Abbreviated Journal | Mater Chem Phys |
Volume | 122 | Issue | 2/3 | Pages | 623-629 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Structure, morphology and composition of different tin oxide and germanium oxide thin film catalysts for the methanol steam reforming (MSR) reaction have been studied by a combination of (high-resolution) transmission electron microscopy, selected area electron diffraction, dark-field imaging and electron energy-loss spectroscopy. Deposition of the thin films on NaCl(0 0 1) cleavage faces has been carried out by thermal evaporation of the respective SnO2 and GeO2 powders in varying oxygen partial pressures and at different substrate temperatures. Preparation of tin oxide films in high oxygen pressures (10−1 Pa) exclusively resulted in SnO phases, at and above 473 K substrate temperature epitaxial growth of SnO on NaCl(0 0 1) leads to well-ordered films. For lower oxygen partial pressures (10−3 to 10−2 Pa), mixtures of SnO and β-Sn are obtained. Well-ordered SnO2 films, as verified by electron diffraction patterns and energy-loss spectra, are only obtained after post-oxidation of SnO films at temperatures T ≥ 673 K in 105 Pa O2. Preparation of GeOx films inevitably results in amorphous films with a composition close to GeO2, which cannot be crystallized by annealing treatments in oxygen or hydrogen at temperatures comparable to SnO/SnO2. Similarities and differences to neighbouring oxides relevant for selective MSR in the third group of the periodic system (In2O3 and Ga2O3) are also discussed with the aim of cross-correlation in formation of nanomaterials, and ultimately, also catalytic properties. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lausanne | Editor | ||
Language | Wos | 000278637900054 | Publication Date | 2010-04-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0254-0584; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.084 | Times cited | 15 | Open Access | |
Notes | Esteem 026019 | Approved | Most recent IF: 2.084; 2010 IF: 2.356 | ||
Call Number | UA @ lucian @ c:irua:83099 | Serial | 2699 | ||
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Author | Lebedev, O.I.; Caignaert, V.; Raveau, B.; Pop, N.; Gozzo, F.; Van Tendeloo, G.; Pralong, V. | ||||
Title | HRTEM and neutron diffraction study of LixMo5O17 : from the ribbon (x=5) structure to the rock salt (x=12) structure | Type | A1 Journal article | ||
Year | 2011 | Publication | Journal of solid state chemistry | Abbreviated Journal | J Solid State Chem |
Volume | 184 | Issue | 4 | Pages | 790-796 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Structure determination of the fully intercalated phase Li12Mo5O17 and of the deintercalated oxide Li5Mo5O17 has been carried out by electron microscopy and neutron powder diffraction. The reversible topotactic transformation between the ordered rock salt structure of the former and the ribbon structure of the latter (closely related to that of Li4Mo5O17) is explained on the following basis: both structures can be described as strips built up as an assembly of infinite ribbons of MoO6 octahedra that are five octahedra thick, and that differ by slight displacements of the octahedral ribbons. We show that the electrochemical behavior of the LixMo5O17 system is based on two sorts of Li+ sites; those that are located within the strips between the ribbons, and those that are located at the border of the strips. The high rate of Li intercalation in this oxide and its reversibility are discussed in terms of its peculiar structure. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000289597100010 | Publication Date | 2011-02-12 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-4596; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.299 | Times cited | 1 | Open Access | |
Notes | Esteem 026019 | Approved | Most recent IF: 2.299; 2011 IF: 2.159 | ||
Call Number | UA @ lucian @ c:irua:88646 | Serial | 1515 | ||
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Author | Lazoryak, B.I.; Baryshnikova, O.V.; Stefanovich, S.Y.; Malakho, A.P.; Morozov, V.A.; Belik, A.A.; Leonidov, I.A.; Leonidova, O.N.; Van Tendeloo, G. | ||||
Title | Ferroelectric and ionic-conductive properties of nonlinear-optical vanadate, Ca9Bi(VO4)7 | Type | A1 Journal article | ||
Year | 2003 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 15 | Issue | 15 | Pages | 3003-3010 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Structural, chemical, and physical properties of whitlockite-type Ca9Bi(VO4)(7) were studied by X-ray powder diffraction (XRD), electron diffraction (ED), second-harmonic generation (SHG), thermogravimetry, differential scanning calorimetry, dielectric, and electrical-conductivity measurements. A new phase-transition of the ferroelectric type was found in Ca9Bi(VO4)(7) with a transition temperature, T-c of 1053 +/- 3 K. The polar phase, beta-Ca9Bi(VO4)(7), is stable below T-c down to at least 160 K. The centrosymmetric beta'-phase is stable above T-c up to 1273 +/- 5 K. Above 1273 K, it decomposes to give BiVO4 and whitlockite-type solid solutions of Ca9+1.5xBi1-x(VO4)(7). The beta<---->beta' phase transition is reversible and of second order. Electrical conductivity of beta'-Ca9Bi(VO4)(7) is rather high (sigma = 0.6 x 10(-3) S/cm at 1200 K) and obeys the Arrhenius law with an activation energy of 1.0 eV. Structure parameters of Ca9Bi(VO4)(7) are refined by the Rietveld method from XRD data measured at room temperature (space group R3c; Z = 6; a = 10.8992(1) Angstrom, c = 38.1192(4) Angstrom, and V = 3921.6(1) Angstrom(3); R-wp = 3.06% and R-p = 2.36%). Bi3+ ions together with Ca2+ ions are statistically distributed among the M1, M2, M3, and M5 sites. Ca9Bi(VO4)(7) has a SHG efficiency of about 140 times that of quartz. Through the powder SHG measurements, we estimated the nonlinear optical susceptibility, Digital, at about 6.1-7.2 pm/V. This value for Ca9Bi(VO4)(7) is comparable with that for known nonlinear optical materials such as LiNbO3 and LiTaO3. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Washington, D.C. | Editor | ||
Language | Wos | 000184379900024 | Publication Date | 2003-07-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0897-4756;1520-5002; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.466 | Times cited | 51 | Open Access | |
Notes | Iup V-1; Dwtc | Approved | Most recent IF: 9.466; 2003 IF: 4.374 | ||
Call Number | UA @ lucian @ c:irua:103284 | Serial | 1179 | ||
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Author | Aierken, Y.; Çakir, D.; Peeters, F.M. | ||||
Title | Strain enhancement of acoustic phonon limited mobility in monolayer TiS3 | Type | A1 Journal article | ||
Year | 2016 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
Volume | 18 | Issue | 18 | Pages | 14434-14441 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract ![]() |
Strain engineering is an effective way to tune the intrinsic properties of a material. Here, we show by using first-principles calculations that both uniaxial and biaxial tensile strain applied to monolayer TiS3 are able to significantly modify its intrinsic mobility. From the elastic modulus and the phonon dispersion relation we determine the tensile strain range where structure dynamical stability of the monolayer is guaranteed. Within this region, we find more than one order of enhancement of the acoustic phonon limited mobility at 300 K (100 K), i.e. from 1.71 x 10(4) (5.13 x 10(4)) cm(2) V-1 s(-1) to 5.53 x 10(6) (1.66 x 10(6)) cm(2) V-1 s(-1). The degree of anisotropy in both mobility and effective mass can be tuned by using tensile strain. Furthermore, we can either increase or decrease the band gap of TiS3 monolayer by applying strain along different crystal directions. This property allows us to use TiS3 not only in electronic but also in optical applications. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Cambridge | Editor | ||
Language | Wos | 000378102700036 | Publication Date | 2016-05-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1463-9076 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.123 | Times cited | 24 | Open Access | |
Notes | ; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-V1). Computational resources were provided by HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation and the Flemish Government-department EWI. ; | Approved | Most recent IF: 4.123 | ||
Call Number | UA @ lucian @ c:irua:134628 | Serial | 4250 | ||
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