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Records |
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Author |
Verdierre, G.; Gauquelin, N.; Jannis, D.; Birkhölzer, Y.A.; Mallik, S.; Verbeeck, J.; Bibes, M.; Koster, G. |
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Title |
Epitaxial growth of the candidate ferroelectric Rashba material SrBiO3by pulsed laser deposition |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
APL materials |
Abbreviated Journal |
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| |
Volume |
11 |
Issue |
3 |
Pages |
031109 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Among oxides, bismuthates have been gaining much interest due to their unique features. In addition to their superconducting properties, they show potential for applications as topological insulators and as possible spin-to-charge converters. After being first investigated in their bulk form in the 1980s, bismuthates have been successfully grown as thin films. However, most efforts have focused on BaBiO<sub>3</sub>, with SrBiO<sub>3</sub>receiving only little attention. Here, we report the growth of epitaxial films of SrBiO<sub>3</sub>on both TiO<sub>2</sub>-terminated SrTiO<sub>3</sub>and NdO-terminated NdScO<sub>3</sub>substrates by pulsed laser deposition. SrBiO<sub>3</sub>has a pseudocubic lattice constant of ∼4.25 Å and grows relaxed on NdScO<sub>3</sub>. Counter-intuitively, it grows with a slight tensile strain on SrTiO<sub>3</sub>despite a large lattice mismatch, which should induce compressive strain. High-resolution transmission electron microscopy reveals that this occurs as a consequence of structural domain matching, with blocks of 10 SrBiO<sub>3</sub>unit planes matching blocks of 11 SrTiO<sub>3</sub>unit planes. This work provides a framework for the synthesis of high quality perovskite bismuthates films and for the understanding of their interface interactions with homostructural substrates. |
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Place of Publication |
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Editor |
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Wos |
000953363800004 |
Publication Date |
2023-03-01 |
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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 |
2166-532X |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
6.1 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
This work received support from the ERC Advanced grant (Grant No. 833973) “FRESCO” and funding from the European Union’s Horizon 2020 Research and Innovation Program under Grant Agreement No. 823717—ESTEEM3, Van Gogh travel grant, Nuffic, The Netherlands (CF No. 42582SB).; esteem3reported; esteem3TA |
Approved  |
Most recent IF: 6.1; 2023 IF: 4.335 |
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Call Number |
EMAT @ emat @c:irua:196135 |
Serial |
7377 |
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| Permanent link to this record |
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Author |
Van Tendeloo, L.; Wangermez, W.; Kurttepeli, M.; de Blochouse, B.; Bals, S.; Van Tendeloo, G.; Martens, J.A.; Maes, A.; Kirschhock, C.E.A.; Breynaert, E. |
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Title |
Chabazite : stable cation-exchanger in hyper alkaline concrete pore water |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Environmental science and technology |
Abbreviated Journal |
Environ Sci Technol |
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| |
Volume |
49 |
Issue |
49 |
Pages |
2358-2365 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
To avoid impact on the environment, facilities for permanent disposal of hazardous waste adopt multibarrier design schemes. As the primary barrier very often consists of cement-based materials, two distinct aspects are essential for the selection of suitable complementary barriers: (1) selective sorption of the contaminants in the repository and (2) long-term chemical stability in hyperalkaline concrete-derived media. A multidisciplinary approach combining experimental strategies from environmental chemistry and materials science is therefore essential to provide a reliable assessment of potential candidate materials. Chabazite is typically synthesized in 1 M KOH solutions but also crystallizes in simulated young cement pore water, a pH 13 aqueous solution mainly containing K+ and Na+ cations. Its formation and stability in this medium was evaluated as a function of temperature (60 and 85 °C) over a timeframe of more than 2 years and was also asessed from a mechanistic point of view. Chabazite demonstrates excellent cation-exchange properties in simulated young cement pore water. Comparison of its Cs+ cation exchange properties at pH 8 and pH 13 unexpectedly demonstrated an increase of the KD with increasing pH. The combined results identify chabazite as a valid candidate for inclusion in engineered barriers for concrete-based waste disposal. |
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Place of Publication |
Easton, Pa |
Editor |
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Language |
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Wos |
000349806400047 |
Publication Date |
2015-01-08 |
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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 |
0013-936X;1520-5851; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.198 |
Times cited |
13 |
Open Access |
OpenAccess |
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Notes |
This work was supported by long-term structural funding by the Flemish Government (Methusalem) and by ONDRAF/ NIRAS, the Belgian Agency for Radioactive Waste and Fissile Materials, as part of the program on surface disposal of Belgian Category A waste. The Belgian government is acknowledged for financing the interuniversity poles of attraction (IAP-PAI). G.V.T. and S.B. acknowledge financial support from European Research Council (ERC Advanced Grant no. 24691-COUNTATOMS, ERC Starting Grant no. 335078-COLOURATOMS).; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 6.198; 2015 IF: 5.330 |
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Call Number |
c:irua:127695 |
Serial |
307 |
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| Permanent link to this record |
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Author |
Villani, K.; Vermandel, W.; Smets, K.; Liang, D.; Van Tendeloo, G.; Martens, J.A. |
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Title |
Platinum particle size and support effects in NOx mediated carbon oxidation over platinum catalysts |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Environmental science & technology |
Abbreviated Journal |
Environ Sci Technol |
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| |
Volume |
40 |
Issue |
8 |
Pages |
2727-2733 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Platinum metal was dispersed on microporous, mesoporous, and nonporous support materials including the zeolites Na-Y, Ba-Y, Ferrierite, ZSM-22, ETS-10, and AlPO-11, alumina, and titania. The oxidation of carbon black loosely mixed with catalyst powder was monitored gravimetrically in a gas stream containing nitric oxide, oxygen, and water. The carbon oxidation activity of the catalysts was found to be uniquely related to the Pt dispersion and little influenced by support type. The optimum dispersion is around 3-4% corresponding to relatively large Pt particle sizes of 2040 nm. The carbon oxidation activity reflects the NO oxidation activity of the platinum catalyst, which reaches an optimum in the 20-40 nm Pt particle size range. The lowest carbon oxidation temperatures were achieved with platinum loaded ZSM-22 and AlPO-11 zeolite crystallites bearing platinum of optimum dispersion on their external surfaces. |
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Corporate Author |
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Place of Publication |
Easton, Pa |
Editor |
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Language |
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Wos |
000236992700038 |
Publication Date |
2006-04-13 |
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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 |
0013-936X;1520-5851; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.198 |
Times cited |
29 |
Open Access |
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Notes |
Comet; Goa |
Approved |
Most recent IF: 6.198; 2006 IF: 4.040 |
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Call Number |
UA @ lucian @ c:irua:103628 |
Serial |
2651 |
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| Permanent link to this record |
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Author |
Esquivel, D.; Ouwehand, J.; Meledina, M.; Turner, S.; Tendeloo, G.V.; Romero-Salguero, F.J.; Clercq, J.D.; Voort, P.V.D. |
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Title |
Thiol-ethylene bridged PMO: A high capacity regenerable mercury adsorbent via intrapore mercury thiolate crystal formation |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Journal of hazardous materials |
Abbreviated Journal |
J Hazard Mater |
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Volume |
339 |
Issue |
339 |
Pages |
368-377 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Highly ordered thiol-ethylene bridged Periodic Mesoporous Organosilicas were synthesized directly from a homemade thiol-functionalized bis-silane precursor. These high surface area materials contain up to 4.3 mmol/g sulfur functions in the walls and can adsorb up to 1183 mg/g mercury ions. Raman spectroscopy reveals the existence of thiol and disulfide moieties. These groups have been evaluated by a combination of Raman spectroscopy, Ellman’s reagent and elemental analysis. The adsorption of mercury ions was evidenced by different techniques, including Raman, XPS and porosimetry, which indicate that thiol groups are highly accessible to mercury. Scanning transmission electron microscopy combined with EDX showed an even homogenous distribution of the sulfur atoms throughout the structure, and have revealed for the first time that a fraction of the adsorbed mercury is forming thiolate nanocrystals in the pores. The adsorbent is highly selective for mercury and can be regenerated and reused multiple times, maintaining its structure and functionalities and showing only a marginal loss of adsorption capacity after several runs. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Editor |
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Language |
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Wos |
000407188200040 |
Publication Date |
2017-06-22 |
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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 |
0304-3894 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.065 |
Times cited |
12 |
Open Access |
OpenAccess |
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Notes |
D.E. thanks the F.W.O. Flanders (Fund Scientific Research) for a postdoctoral grant (3E10813W). J.O. acknowledges also F.W.O. Flanders, research project G006813N, and the research Board of Ghent University, UGent GOA (Concerted Research Actions) (grant 01G00710) for financial support. F. J. R.-S. acknowledges funding of this research by the Spanish Ministry of Economy and Competitiveness (Project MAT2013-44463-R), Andalusian Regional Government (FQM-346 group), and Feder Funds. The Titan microscope used for this investigation was partially funded by the Hercules foundation of the Flemish government. This work was supported by the Belgian IAP-PAI network. |
Approved |
Most recent IF: 6.065 |
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Call Number |
EMAT @ emat @ c:irua:144433 |
Serial |
4624 |
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| Permanent link to this record |
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Author |
De Decker, J.; Folens, K.; De Clercq, J.; Meledina, M.; Van Tendeloo, G.; Du Laing, G.; Van Der Voort, P. |
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Title |
Ship-in-a-bottle CMPO in MIL-101(Cr) for selective uranium recovery from aqueous streams through adsorption |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Journal of hazardous materials |
Abbreviated Journal |
J Hazard Mater |
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Volume |
335 |
Issue |
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Pages |
1-9 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Mesoporous MIL-101(Cr) is used as host for a ship-in-a-bottle type adsorbent for selective U(VI) recovery from aqueous environments. The acid-resistant cage-type MOF is built in-situ around N,N-Diisobutyl-2-(octylphenylphosphoryl)acetamide (CMPO), a sterically demanding ligand with high U(VI) affinity. This one-step procedure yields an adsorbent which is an ideal compromise between homogeneous and heterogeneous systems, where the ligand can act freely within the pores of MIL-101, without leaching, while the adsorbent is easy separable and reusable. The adsorbent was characterized by XRD, FTIR spectroscopy, nitrogen adsorption, XRF, ADF-STEM and EDX, to confirm and quantify the successful encapsulation of the CMPO in MIL-101, and the preservation of the host. Adsorption experiments with a central focus on U(VI) recovery were performed. Very high selectivity for U(VI) was observed, while competitive metal adsorption (rare earths, transition metals...) was almost negligible. The adsorption capacity was calculated at 5.32 mg U/g (pH 3) and 27.99 mg U/g (pH 4), by fitting equilibrium data to the Langmuir model. Adsorption kinetics correlated to the pseudo-second-order model, where more than 95% of maximum uptake is achieved within 375 min. The adsorbed U(VI) is easily recovered by desorption in 0.1 M HNO3. Three adsorption/desorption cycles were performed. (C) 2017 Elsevier B.V. All rights reserved. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000402948600001 |
Publication Date |
2017-04-09 |
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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 |
0304-3894 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.065 |
Times cited |
35 |
Open Access |
OpenAccess |
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Notes |
; The authors acknowledge the AUGent/UGent for financial support, Grant Number DEF12/AOP/008 fund IV1. ; |
Approved |
Most recent IF: 6.065 |
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Call Number |
UA @ lucian @ c:irua:144153 |
Serial |
4685 |
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| Permanent link to this record |
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Author |
Leus, K.; Folens, K.; Nicomel, N.R.; Perez, J.P.H.; Filippousi, M.; Meledina, M.; Dirtu, M.M.; Turner, S.; Van Tendeloo, G.; Garcia, Y.; Du Laing, G.; Van Der Voort, P. |
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Title |
Removal of arsenic and mercury species from water by covalent triazine framework encapsulated \gamma-Fe2O3 nanoparticles |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of hazardous materials |
Abbreviated Journal |
J Hazard Mater |
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Volume |
353 |
Issue |
353 |
Pages |
312-319 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The covalent triazine framework, CTF-1, served as host material for the in situ synthesis of Fe2O3 nanoparticles. The composite material consisted of 20 +/- 2 m% iron, mainly in gamma-Fe2O3 phase. The resulting gamma-Fe2O3@CTF-1 was examined for the adsorption of As-III, As-V and H-II from synthetic solutions and real surface-, ground- and wastewater. The material shows excellent removal efficiencies, independent from the presence of Ca2+, Mg2+ or natural organic matter and only limited dependency on the presence of phosphate ions. Its adsorption capacity towards arsenite (198.0 mg g(-1)), arsenate (102.3 mg g(-1)) and divalent mercury (165.8 mg g(-1)) belongs amongst the best-known adsorbents, including many other iron-based materials. Regeneration of the adsorbent can be achieved for use over multiple cycles without a decrease in performance by elution at 70 degrees C with 0.1 M NaOH, followed by a stirring step in a 5 m% H2O2 solution for As or 0.1 M thiourea and 0.001 M HCl for Hg. In highly contaminated water (100 mu gL(-1)), the adsorbent polishes the water quality to well below the current WHO limits. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000438002800035 |
Publication Date |
2018-04-16 |
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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 |
0304-3894 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.065 |
Times cited |
22 |
Open Access |
OpenAccess |
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Notes |
; Karen Leus acknowledges financial support from Ghent University. Nina Ricci Nicomel and Jeffrey Paulo H. Perez thank the funding of the VLIR-UOS. Marinela M. Dirtu acknowledges F.R.S.-FNRS for a Charge de recherches position. Stuart Turner gratefully acknowledges the FWO Vlaanderen for a post-doctoral scholarship. The Titan microscope used for this investigation was partially funded by the Hercules foundation of the Flemish government. This work was supported by the Belgian IAP-PAI network. ; |
Approved |
Most recent IF: 6.065 |
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Call Number |
UA @ lucian @ c:irua:152430 |
Serial |
5124 |
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Author |
Van Eynde, E.; Hu, Z.-Y.; Tytgat, T.; Verbruggen, S.W.; Watte, J.; Van Tendeloo, G.; Van Driessche, I.; Blust, R.; Lenaerts, S. |
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Title |
Diatom silica-titania photocatalysts for air purification by bio-accumulation of different titanium sources |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Environmental science : nano |
Abbreviated Journal |
Environ Sci-Nano |
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Volume |
3 |
Issue |
5 |
Pages |
1052-1061 |
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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 |
We present a green, biological production route for silica-titania photocatalysts using diatom microalgae. Diatoms are single-celled, eukaryotic microalgae (2-2000 mu m) that self-assemble soluble silicon (Si(OH)(4)) into intricate silica cell walls, called frustules. These diatom frustules are formed under ambient conditions and consist of hydrated silica with specific 3D morphologies and micro-meso or macroporosity. A remarkable characteristic of diatoms is their ability to bioaccumulate soluble titanium from cell culture medium and incorporate them into their nanostructured silica cell wall. Controlled cultivation of the diatom Pinnularia sp. on soluble titanium in a batch process resulted in the biological immobilisation of titanium dioxide in the porous 3D architecture of the frustules. Six different titanium sources are tested. The silica-titania frustules were isolated by treating the harvested Pinnularia cells with nitric acid (65%) or by high temperature treatment. Thermal annealing converted the amorphous titania into crystalline titania. The produced silica-titania material is evaluated towards photocatalytic activity for acetaldehyde (C2H4O) abatement. Frustules cultivated with TiBaldH showed the highest photocatalytic performance. Comparison of the photocatalytic activity with P25 reveals that P25 has a 4 fold higher photocatalytic activity, but when photocatalytic activity is normalized for titania content, the frustules show double activity. Further material characterization (morphology, crystallinity, surface area and elemental distribution) of the TiBaldH silica-titania frustules provides additional insight into their structure-activity relationship. These natural biosilicatitania materials have excellent properties for photocatalytic purposes, including high surface area (108 m(2) g(-1)) and good porosity, and show reliable immobilization of TiO2 in the ordered structure of the diatom frustule. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Royal Society of Chemistry |
Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000385257900011 |
Publication Date |
2016-07-21 |
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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 |
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Edition |
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ISSN |
2051-8153; 2051-8161 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.047 |
Times cited |
7 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 6.047 |
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Call Number |
UA @ lucian @ c:irua:144751 |
Serial |
4644 |
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Author |
Van Goethem, C.; Verbeke, R.; Pfanmoeller, M.; Koschine, T.; Dickmann, M.; Timpel-Lindner, T.; Egger, W.; Bals, S.; Vankelecom, I.F.J. |
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Title |
The role of MOFs in Thin-Film Nanocomposite (TFN) membranes |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of membrane science |
Abbreviated Journal |
J Membrane Sci |
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Volume |
563 |
Issue |
563 |
Pages |
938-948 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Incorporation of MOFs in interfacially polymerized Thin-Film Nanocomposite (TFN) membranes has widely been shown to result in increased membrane performance. However, the exact functioning of these membranes is poorly understood as large variability in permeance increase, filler incorporation and rejection changes can be observed in literature. The synthesis and functioning of TFN membranes (herein exemplified by ZIF-8 filled polyamide (PA) membranes prepared via the EFP method) was investigated via targeted membrane synthesis and thorough characterization via STEM-EDX, XRD and PALS. It is hypothesized that the acid generated during the interfacial polymerization (IP) at least partially degrades the crystalline, acid-sensitive ZIF-8 and that this influences the membrane formation (through so-called secondary effects, i.e. not strictly linked to the pore morphology of the MOF). Nanoscale HAADF-STEM imaging and STEM-EDX Zn-mapping revealed no ZIF-8 particles but rather the presence of randomly shaped regions with elevated Zn-content. Also XRD failed to show the presence of crystalline areas in the composite PA films. As the addition of the acid-quenching TEA led to an increase in the diffraction signal observed in XRD, the role of the acid was confirmed. The separate addition of dissolved Zn2+ to the synthesis of regular TFC membranes showed an increase in permeance while losing some salt retention, similar to observations regularly made for TFN membranes. While the addition of a porous material to a TFC membrane is a straightforward concept, all obtained results indicate that the synthesis and performance of such composite membranes is often more complex than commonly accepted. |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
000441897200099 |
Publication Date |
2018-06-22 |
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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 |
0376-7388 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.035 |
Times cited |
84 |
Open Access |
OpenAccess |
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Notes |
; C.V.G. and R.V. kindly acknowledge respectively the Flemish Agency for Innovation through Science and Technology (IWT) (IWT, 141697) and the Flemish Fund for Scientific Research (FWO, 1500917N) for a PhD scholarship. The authors kindly acknowledge funding from KU Leuven through C16/17/005 and from the Belgian Federal Government through IAP 6/27 Functional Supramolecular systems. S.B. and M.P. acknowledge financial support from the European Research Council (ERC Starting Grant #335078-COLOURATOM). M.P. acknowledges funding from the European Union (ESTEEM2, No. 312483) and the HEiKA centre FunTECH-3D (Ministry of Science, Research and Art Baden-Wurttemberg, AZ: 33-753-30-20/3/3). The MLZ-Garching is kindly acknowledged for providing access to the NEPOMUC facilities (project no 11541). ; ecas_sara |
Approved |
Most recent IF: 6.035 |
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Call Number |
UA @ lucian @ c:irua:153618UA @ admin @ c:irua:153618 |
Serial |
5132 |
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Author |
Ding, L.; Sapanathan, T.; Schryvers, D.; Simar, A.; Idrissi, H. |
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Title |
On the formation of antiphase boundaries in Fe₄Al₁₃ intermetallics during a high temperature treatment |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Scripta materialia |
Abbreviated Journal |
Scripta Mater |
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Volume |
215 |
Issue |
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Pages |
114726-6 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
In this paper, we report atomic scale observations and formation mechanisms of a high-density of antiphase boundaries (APBs) within an ultra-fine-grained Fe4Al13 intermetallic layer at an Al/steel interface after a heat treatment at 596 degrees C. The results reveal that the APBs are formed by nucleation and the glide of partial dislocations with Burgers vector of b/3[010] (b = 12.47 angstrom). The intensive activation of APBs locally transforms the Fe4Al13 structure from the quasicrystal approximant structure to a quasicrystal. Very few stacking faults and nanotwins are observed indicating that the formation of planar defects is mainly driven by this transformation. This new insight on the formation of high density of APBs could possibly lead to an improvement in toughness by increasing the strength/ductility balance of this intermetallic. |
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Wos |
000800016600003 |
Publication Date |
2022-04-08 |
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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 |
1359-6462 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 6 |
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Call Number |
UA @ admin @ c:irua:188644 |
Serial |
7088 |
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| Permanent link to this record |
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Author |
de la Croix, T.; Claes, N.; Eyley, S.; Thielemans, W.; Bals, S.; De Vos, D. |
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Title |
Heterogeneous Pt-catalyzed transfer dehydrogenation of long-chain alkanes with ethylene |
Type |
A1 Journal Article |
| |
Year |
2023 |
Publication |
Catalysis Science & Technology |
Abbreviated Journal |
Catal. Sci. Technol. |
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Volume |
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Issue |
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Pages |
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Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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Abstract |
The dehydrogenation of long-chain alkanes to olefins and alkylaromatics is a challenging endothermic reaction, typically requiring harsh conditions which can lead to low selectivity and coking. More favorable thermodynamics can be achieved by using a hydrogen acceptor, such as ethylene. In this work, the potential of heterogeneous platinum catalysts for the transfer dehydrogenation of long-chain alkanes is investigated, using ethylene as a convenient hydrogen acceptor. Pt/C and Pt–Sn/C catalysts were prepared<italic>via</italic>a simple polyol method and characterized with CO pulse chemisorption, HAADF-STEM, and EDX measurements. Conversion of ethylene was monitored<italic>via</italic>gas-phase FTIR, and distribution of liquid products was analyzed<italic>via</italic>GC-FID, GC-MS, and 1H-NMR. Compared to unpromoted Pt/C, Sn-promoted catalysts show lower initial reaction rates, but better resistance to catalyst deactivation, while increasing selectivity towards alkylaromatics. Both reaction products and ethylene were found to inhibit the reaction significantly. At 250 °C for 22 h, TON up to 28 and 86 mol per mol Pt were obtained for Pt/C and PtSn<sub>2</sub>/C, respectively, with olefin selectivities of 94% and 53%. The remaining products were mainly unbranched alkylaromatics. These findings show the potential of simple heterogeneous catalysts in alkane transfer dehydrogenation, for the preparation of valuable olefins and alkylaromatics, or as an essential step in various tandem reactions. |
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Wos |
001104905100001 |
Publication Date |
2023-11-09 |
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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 |
2044-4753 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
5 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
T. de la Croix gratefully acknowledges the support of the Flanders Research Foundation (FWO) under project 11F6622N. D. De Vos is grateful to FWO for support of project G0D3721N, and to KU Leuven for the iBOF project 21/016/C3. S. Bals and N. Claes acknowledge funding from the European Research Council under the European Union’s Horizon 2020 research and innovation program (ERC Consolidator Grant No. 815128- REALNANO). W. Thielemans and S. Eyley thank KU Leuven (grant C14/18/061) and FWO (G0A1219N) for financial support. |
Approved |
Most recent IF: 5; 2023 IF: 5.773 |
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Call Number |
EMAT @ emat @c:irua:201010 |
Serial |
8968 |
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Author |
Muravev, V.; Parastaev, A.; van den Bosch, Y.; Ligt, B.; Claes, N.; Bals, S.; Kosinov, N.; Hensen, E.J.M. |
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Title |
Size of cerium dioxide support nanocrystals dictates reactivity of highly dispersed palladium catalysts |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Science |
Abbreviated Journal |
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Volume |
380 |
Issue |
6650 |
Pages |
1174-1179 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The catalytic performance of heterogeneous catalysts can be tuned by modulation of the size and structure of supported transition metals, which are typically regarded as the active sites. In single-atom metal catalysts, the support itself can strongly affect the catalytic properties. Here, we demonstrate that the size of cerium dioxide (CeO2) support governs the reactivity of atomically dispersed palladium (Pd) in carbon monoxide (CO) oxidation. Catalysts with small CeO2 nanocrystals (~4 nanometers) exhibit unusually high activity in a CO-rich reaction feed, whereas catalysts with medium-size CeO2 (~8 nanometers) are preferred for lean conditions. Detailed spectroscopic investigations reveal support size–dependent redox properties of the Pd-CeO2 interface. |
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Wos |
001010846100008 |
Publication Date |
2023-06-16 |
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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 |
0036-8075 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
56.9 |
Times cited |
22 |
Open Access |
OpenAccess |
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Notes |
We thank the staff of the MAX IV Laboratory for time on beamline SPECIES under proposals 20200412 and 20190983; E. Kokkonen and A. Klyushin for assistance with NAP-XPS and RPES experiments conducted at SPECIES; staff of the MAX IV Laboratory for time on beamline BALDER under proposal 20200378; K. Klementiev for assistance with XAS measurements; J. Drnec at the ESRF for providing assistance in using beamline ID31; and V. Perez-Dieste and I. Villar Garcia at the CIRCE beamline at ALBA Synchrotron for help with acquiring preliminary RPES data obtained under proposal 2020024219. The synchrotron-based XRD measurements were performed on beamline ID31 at the European Synchrotron Radiation Facility (ESRF), Grenoble, France. Funding: This work was supported by the Netherlands Center for Multiscale Catalytic Energy Conversion (MCEC), a NWO Gravitation program funded by the Ministry of Education, Culture and Science of the Government of the Netherlands (V.M. and E.J.M.H.); the European Research Council (ERC consolidator grant 815128 REALNANO to S.B. and N.C.); and the European Union’s Horizon 2020 Research and Innovation Program (grant 823717–ESTEEM to S.B. and N.C). Research conducted at MAX IV, a Swedish national user facility, is supported by the Swedish Research council under contract 2018-07152, the Swedish Governmental Agency for Innovation Systems under contract 2018-04969, and Formas under contract 2019-02496 (VM). |
Approved |
Most recent IF: 56.9; 2023 IF: 37.205 |
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Call Number |
EMAT @ emat @c:irua:197199 |
Serial |
8801 |
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Author |
Monai, M.; Jenkinson, K.; Melcherts, A.E.M.; Louwen, J.N.; Irmak, E.A.; Van Aert, S.; Altantzis, T.; Vogt, C.; van der Stam, W.; Duchon, T.; Smid, B.; Groeneveld, E.; Berben, P.; Bals, S.; Weckhuysen, B.M. |
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Title |
Restructuring of titanium oxide overlayers over nickel nanoparticles during catalysis |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Science |
Abbreviated Journal |
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Volume |
380 |
Issue |
6645 |
Pages |
644-651 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) |
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Abstract |
Reducible supports can affect the performance of metal catalysts by the formation of suboxide overlayers upon reduction, a process referred to as the strong metal-support interaction (SMSI). A combination of operando electron microscopy and vibrational spectroscopy revealed that thin TiOx overlayers formed on nickel/titanium dioxide catalysts during 400 degrees C reduction were completely removed under carbon dioxide hydrogenation conditions. Conversely, after 600 degrees C reduction, exposure to carbon dioxide hydrogenation reaction conditions led to only partial reexposure of nickel, forming interfacial sites in contact with TiOx and favoring carbon-carbon coupling by providing a carbon species reservoir. Our findings challenge the conventional understanding of SMSIs and call for more-detailed operando investigations of nanocatalysts at the single-particle level to revisit static models of structure-activity relationships. |
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Wos |
000999020900010 |
Publication Date |
2023-05-11 |
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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 |
0036-8075; 1095-9203 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
56.9 |
Times cited |
29 |
Open Access |
OpenAccess |
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Notes |
This work was supported by BASF and NWO CHIPP (research grant to B.M.W.); the MCEC NWO Gravitation Program (B.M.W.); the ARC-CBBC NWO Program (B.M.W.); the European Research Council (grant 770887 PICOMETRICS to S.V.A.); and the European Research Council (grant 815128 REALNANO to S.B.). |
Approved |
Most recent IF: 56.9; 2023 IF: 37.205 |
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Call Number |
UA @ admin @ c:irua:197432 |
Serial |
8923 |
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Author |
González-Rubio, G.; Mosquera, J.; Kumar, V.; Pedrazo-Tardajos, A.; Llombart, P.; Solís, D.M.; Lobato, I.; Noya, E.G.; Guerrero-Martínez, A.; Taboada, J.M.; Obelleiro, F.; MacDowell, L.G.; Bals, S.; Liz-Marzán, L.M. |
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Title |
Micelle-directed chiral seeded growth on anisotropic gold nanocrystals |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Science |
Abbreviated Journal |
Science |
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Volume |
368 |
Issue |
368 |
Pages |
1472-1477 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Surfactant-assisted seeded growth of metal nanoparticles (NPs) can be engineered to produce anisotropic gold nanocrystals with high chiroptical activity through the templating effect of chiral micelles formed in the presence of dissymmetric cosurfactants. Mixed micelles adsorb on gold nanorods, forming quasihelical patterns that direct seeded growth into NPs with pronounced morphological and optical handedness. Sharp chiral wrinkles lead to chiral plasmon modes with high dissymmetry factors (~0.20). Through variation of the dimensions of chiral wrinkles, the chiroptical properties can be tuned within the visible and near-infrared electromagnetic spectrum. The micelle-directed mechanism allows extension to other systems, such as the seeded growth of chiral platinum shells on gold nanorods. This approach provides a reproducible, simple, and scalable method toward the fabrication of NPs with high chiral optical activity. |
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Wos |
000545264600040 |
Publication Date |
2020-06-26 |
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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 |
0036-8075 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
56.9 |
Times cited |
187 |
Open Access |
OpenAccess |
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Notes |
L.M.L.-M. acknowledges funding from the European Research Council (ERC AdG No. 787510). G.G.-R. and J.M. thanks the Spanish MICIU for FPI (BES-2014-068972) and Juan de la Cierva-fellowships (FJCI-2015-25080). S.B., L.M.L.-M., V.K, and A.P.- T. acknowledge financial support from the European Commission under the Horizon 2020 Programme by means of the grant agreement No. 731019 (EUSMI) and the ERC Consolidator Grant No. 815128 (REALNANO). J.M.T and F.O acknowledge financial support from the Spanish MICIU (Grants TEC2017-85376-C2-1-R, TEC2017-85376-C2-2-R), as well as from the ERDF and the Galician Regional Government as part of the agreement for funding the Atlantic Research Center for Information and Communication Technologies (AtlantTIC). AG-M acknowledges financial support from the Spanish MICIU (Grant RTI2018-095844-BI00), EGN and LGM acknowledge funds from the Spanish MICIU (Grant No. FIS2017- 89361-C3-2-P), as well as the use of the Mare-Nostrum supercomputer and the technical support provided by Barcelona Supercomputing Center from the Spanish Network of Supercomputing (Grants QCM-2018-3-0039 and QCM-2019-1-0038). This work was performed under the Maria de Maeztu Units of Excellence Program from the Spanish State 13 Research Agency – Grant No. MDM-2017-0720.; sygma |
Approved |
Most recent IF: 56.9; 2020 IF: 37.205 |
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Call Number |
EMAT @ emat @c:irua:170137 |
Serial |
6391 |
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Author |
Park, D.-s.; Hadad, M.; Riemer, L.M.; Ignatans, R.; Spirito, D.; Esposito, V.; Tileli, V.; Gauquelin, N.; Chezganov, D.; Jannis, D.; Verbeeck, J.; Gorfman, S.; Pryds, N.; Muralt, P.; Damjanovic, D. |
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Title |
Induced giant piezoelectricity in centrosymmetric oxides |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Science |
Abbreviated Journal |
Science |
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Volume |
375 |
Issue |
6581 |
Pages |
653-657 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Giant piezoelectricity can be induced in centrosymmetric oxides by controlling the long-range motion of oxygen vacancies. |
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Wos |
000753975300036 |
Publication Date |
2022-02-11 |
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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 |
0036-8075 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
56.9 |
Times cited |
51 |
Open Access |
OpenAccess |
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Notes |
D.-S.P., V.E., N.P., P.M., and D.D. acknowledge the European Commission for project Biowings H2020 Fetopen 2018-2022 (grant no. 80127). N.P. acknowledges funding from the Villum Fonden for the NEED project (grant no. 00027993) and the Danish Council for Independent Research Technology and Production Sciences for the DFF-Research Project 3 (grant no. 00069B). S.G. acknowledges funding from the Israel Science Foundation (research grant 1561/18 and equipment grant 2247/18). This project has received funding from the European Union’s Horizon 2020 research and innovation program under grant no. 823717 – ESTEEM3. D.C. acknowledges TOP/BOF funding of the University of Antwerp. M.H. and P.M. acknowledge funding from the Swiss National Science Foundation (grant nos. 200020-162664/1 and 200021-143424/1); esteem3reported; esteem3TA |
Approved |
Most recent IF: 56.9 |
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Call Number |
EMAT @ emat @c:irua:185876 |
Serial |
6909 |
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Author |
Joy, R.M.; Pobedinskas, P.; Bourgeois, E.; Chakraborty, T.; Goerlitz, J.; Herrmann, D.; Noel, C.; Heupel, J.; Jannis, D.; Gauquelin, N.; D'Haen, J.; Verbeeck, J.; Popov, C.; Houssiau, L.; Becher, C.; Nesladek, M.; Haenen, K. |
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Title |
Photoluminescence of germanium-vacancy centers in nanocrystalline diamond films : implications for quantum sensing applications |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
ACS applied nano materials |
Abbreviated Journal |
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Volume |
7 |
Issue |
4 |
Pages |
3873-3884 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Point defects in diamond, promising candidates for nanoscale pressure- and temperature-sensing applications, are potentially scalable in polycrystalline diamond fabricated using the microwave plasma-enhanced chemical vapor deposition (MW PE CVD) technique. However, this approach introduces residual stress in the diamond films, leading to variations in the characteristic zero phonon line (ZPL) of the point defect in diamond. Here, we report the effect of residual stress on germanium-vacancy (GeV) centers in MW PE CVD nanocrystalline diamond (NCD) films fabricated using single crystal Ge as the substrate and solid dopant source. GeV ensemble formation indicated by the zero phonon line (ZPL) at similar to 602 nm is confirmed by room temperature (RT) photoluminescence (PL) measurements. PL mapping results show spatial nonuniformity in GeV formation along with other defects, including silicon-vacancy centers in the diamond films. The residual stress in NCD results in shifts in the PL peak positions. By estimating a stress shift coefficient of (2.9 +/- 0.9) nm/GPa, the GeV PL peak position in the NCD film is determined to be between 598.7 and 603.2 nm. A larger ground state splitting due to the strain on a GeV-incorporated NCD pillar at a low temperature (10 K) is also reported. We also report the observation of intense ZPLs at RT that in some cases could be related to low Ge concentration and the surrounding crystalline environment. In addition, we also observe thicker microcrystalline diamond (MCD) films delaminate from the Ge substrate due to film residual stress and graphitic phase at the diamond/Ge substrate interface (confirmed by electron energy loss spectroscopy). Using this approach, a free-standing color center incorporated MCD film with dimensions up to 1 x 1 cm(2) is fabricated. Qualitative analysis using time-of-flight secondary ion mass spectroscopy reveals the presence of impurities, including Ge and silicon, in the MCD film. Our experimental results will provide insights into the scalability of GeV fabrication using the MW PE CVD technique and effectively implement NCD-based nanoscale-sensing applications. |
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Wos |
001164609600001 |
Publication Date |
2024-02-15 |
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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 |
2574-0970 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
5.9 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 5.9; 2024 IF: NA |
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Call Number |
UA @ admin @ c:irua:204826 |
Serial |
9164 |
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Author |
Mulder, J.T.; Kirkwood, N.; De Trizio, L.; Li, C.; Bals, S.; Manna, L.; Houtepen, A.J. |
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Title |
Developing lattice matched ZnMgSe shells on InZnP quantum dots for phosphor applications |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
ACS applied nano materials |
Abbreviated Journal |
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Volume |
3 |
Issue |
4 |
Pages |
3859-3867 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Indium phosphide quantum dots (QDs) have drawn attention as alternatives to cadmium- and lead-based QDs that are currently used as phosphors in lamps and displays. The main drawbacks of InP QDs are, in general, a lower photoluminescence quantum yield (PLQY), a decreased color purity, and poor chemical stability. In this research, we attempted to increase the PLQY and stability of indium phosphide QDs by developing lattice matched InP/MgSe core-shell nanoheterostructures. The choice of MgSe comes from the fact that, in theory, it has a near-perfect lattice match with InP, provided MgSe is grown in the zinc blende crystal structure, which can be achieved by alloying with zinc. To retain lattice matching, we used Zn in both the core and shell and we fabricated InZnP/ZnxMg1-xSe core/shell QDs. To identify the most suitable conditions for the shell growth, we first developed a synthesis route to ZnxMg1-xSe nanocrystals (NCs) wherein Mg is effectively incorporated. Our optimized procedure was employed for the successful growth of ZnxMg1-xSe shells around In(Zn)P QDs. The corresponding core/ shell systems exhibit PLQYs higher than those of the starting In(Zn)P QDs and, more importantly, a higher color purity upon increasing the Mg content. The results are discussed in the context of a reduced density of interface states upon using better lattice matched ZnxMg1-xSe shells. |
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Place of Publication |
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Wos |
000529206200076 |
Publication Date |
2020-03-16 |
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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 |
2574-0970 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.9 |
Times cited |
22 |
Open Access |
OpenAccess |
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Notes |
; This project has received funding from the European Union's Horizon 2020 research and innovation programme under Grant Agreement No. 766900 (testing the large-scale limit of quantum mechanics). A.J.H. acknowledges support from the European Research Council Horizon 2020 ERC Grant Agreement No. 678004 (Doping on Demand). This research is supported by the Dutch Technology Foundation TTW, which is part of The Netherlands Organization for Scientific Research (NWO) and which is partly funded by Ministry of Economic Affairs. The authors thank Wiel Evers for performing the TEM imaging and the EDX analysis. The authors also thank Lea Pasquale and Mirko Prato for their help with performing and analyzing the XPS measurements and Filippo Drago for the ICP measurements. ; |
Approved |
Most recent IF: 5.9; 2020 IF: NA |
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Call Number |
UA @ admin @ c:irua:169563 |
Serial |
6482 |
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Author |
Queralto, A.; Graf, D.; Frohnhoven, R.; Fischer, T.; Vanrompay, H.; Bals, S.; Bartasyte, A.; Mathur, S. |
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Title |
LaFeO3 nanofibers for high detection of sulfur-containing gases |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
ACS Sustainable Chemistry and Engineering |
Abbreviated Journal |
Acs Sustain Chem Eng |
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Volume |
7 |
Issue |
7 |
Pages |
6023-6032 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Lanthanum ferrite nanofibers were electrospun from a chemical sol and calcined at 600 degrees C to obtain singlephase LaFeO3 (LFO) perovskite. High-resolution transmission electron microscopy in conjunction with 3D tomographic analysis confirmed an interwoven network of hollow and porous (surface) LFO nanofibers. Owing to their high surface area and p-type behavior, the nanofiber meshes showed high chemoselectivity toward reducing toxic gases (SO2, H2S) that could be reproducibly detected at very low concentrations (<1 ppm), well below the threshold values for occupational safety and health. An increased sensitivity was observed in the temperature range of 150-300 degrees C with maximum sensor response at 250 degrees C. The surface reaction at the heterogeneous solid (LFO)/gas (SO2) interface that confirmed the formation of La-2(SO4)(3) was investigated by X-ray photoelectron spectroscopy. Moreover, the LFO fibers showed a high selectivity in the detection of oxidizing and reducing gases. Whereas superior detection of NH3 and H2S was measured, little response was observed for CO and NO2. Finally, the integration of nanowire meshes in commercial sensor platforms was successfully demonstrated. |
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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 |
000461978200047 |
Publication Date |
2019-02-21 |
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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 |
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Edition |
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| |
ISSN |
2168-0485 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
5.951 |
Times cited |
41 |
Open Access |
OpenAccess |
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| |
Notes |
; The authors kindly acknowledge the ERA.Net RUS Plus project FONSENS funded by the German Federal Ministry of Education and Research (BMBF) under the grant no. 01DJ16017. A.Q. highly appreciates the support of the Alexander von Humboldt Foundation (grant no. AVH 1184642) and the BMBF for his postdoctoral fellowship. A.Q., D.G., R.F., T.F., and S.M. also kindly acknowledge the financial support of the University of Cologne. H.V. acknowledges financial support by the Research Foundation Flanders (FWO grant 1S32617N). S.B. acknowledges financial support from European Research Council (ERC Starting Grant #335078-COLOURATOMS). We also express our gratitude to Prof. Dr. J. Hadermann from the Electron Microscopy for Materials Science group at the University of Antwerp for her assistance. A.B. is grateful for the EUR EIPHI program (grant no. ANR-17-EURE-0002). ; |
Approved |
Most recent IF: 5.951 |
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| |
Call Number |
UA @ admin @ c:irua:158535 |
Serial |
5263 |
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| Permanent link to this record |
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Author |
Borah, R.; Smets, J.; Ninakanti, R.; Tietze, M.L.; Ameloot, R.; Chigrin, D.N.; Bals, S.; Lenaerts, S.; Verbruggen, S.W. |
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Title |
Self-assembled ligand-capped plasmonic Au nanoparticle films in the Kretschmann configuration for sensing of volatile organic compounds |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
ACS applied nano materials |
Abbreviated Journal |
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| |
Volume |
5 |
Issue |
8 |
Pages |
acsanm.2c02524-12 |
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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 |
Films of close-packed Au nanoparticles are coupled electrodynamically through their collective plasmon resonances. This collective optical response results in enhanced light–matter interactions, which can be exploited in various applications. Here, we demonstrate their application in sensing volatile organic compounds, using methanol as a test case. Ordered films over several cm2 were obtained by interfacial self-assembly of colloidal Au nanoparticles (∼10 nm diameter) through controlled evaporation of the solvent. Even though isolated nanoparticles of this size are inherently nonscattering, when arranged in a close-packed film the plasmonic coupling results in a strong reflectance and absorbance. The in situ tracking of vapor phase methanol concentration through UV–vis transmission measurements of the nanoparticle film is first demonstrated. Next, in situ ellipsometry of the self-assembled films in the Kretschmann (also known as ATR) configuration is shown to yield enhanced sensitivity, especially with phase difference measurements, Δ. Our study shows the excellent agreement between theoretical models of the spectral response of self-assembled films with experimental in situ sensing experiments. At the same time, the theoretical framework provides the basis for the interpretation of the various observed experimental trends. Combining periodic nanoparticle films with ellipsometry in the Kretschmann configuration is a promising strategy toward highly sensitive and selective plasmonic thin-film devices based on colloidal fabrication methods for volatile organic compound (VOC) sensing applications. |
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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 |
000834348300001 |
Publication Date |
2022-07-27 |
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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 |
2574-0970 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.9 |
Times cited |
11 |
Open Access |
OpenAccess |
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Notes |
R.B. acknowledges financial support from the University of Antwerp Special Research Fund (BOF) for a DOCPRO4 doctoral scholarship. J.S. acknowledges financial support from the Research Foundation Flanders (FWO) by a Ph.D. fellowship (11H8121N) . M.L.T. acknowledges financial support from the Research Foundation Flanders (FWO) by a senior postdoctoral fellowship (12ZK720N) . |
Approved |
Most recent IF: 5.9 |
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| |
Call Number |
UA @ admin @ c:irua:189295 |
Serial |
7095 |
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| Permanent link to this record |
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Author |
Pacquets, L.; Van den Hoek, J.; Arenas Esteban, D.; Ciocarlan, R.-G.; Cool, P.; Baert, K.; Hauffman, T.; Daems, N.; Bals, S.; Breugelmans, T. |
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Title |
Use of nanoscale carbon layers on Ag-based gas diffusion electrodes to promote CO production |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
ACS applied nano materials |
Abbreviated Journal |
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| |
Volume |
5 |
Issue |
6 |
Pages |
7723-7732 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Applied Electrochemistry & Catalysis (ELCAT) |
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Abstract |
A promising strategy for the inhibition of the hydrogen evolution reaction along with the stabilization of the electrocatalyst in electrochemical CO2 reduction cells involves the application of a nanoscale amorphous carbon layer on top of the active catalyst layer in a gas diffusion electrode. Without modifying the chemical nature of the electrocatalyst itself, these amorphous carbon layers lead to the stabilization of the electrocatalyst, and a significant improvement with respect to the inhibition of the hydrogen evolution reaction was also obtained. The faradaic efficiencies of hydrogen could be reduced from 31.4 to 2.1% after 1 h of electrolysis with a 5 nm thick carbon layer. Furthermore, the impact of the carbon layer thickness (5–30 nm) on this inhibiting effect was investigated. We determined an optimal thickness of 15 nm where the hydrogen evolution reaction was inhibited and a decent stability was obtained. Next, a thickness of 15 nm was selected for durability measurements. Interestingly, these durability measurements revealed the beneficial impact of the carbon layer already after 6 h by suppressing the hydrogen evolution such that an increase of only 37.9% exists compared to 56.9% without the use of an additional carbon layer, which is an improvement of 150%. Since carbon is only applied afterward, it reveals its great potential in terms of electrocatalysis in general. |
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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 |
000818507900001 |
Publication Date |
2022-05-19 |
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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 |
2574-0970 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.9 |
Times cited |
3 |
Open Access |
OpenAccess |
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Notes |
L.P. was supported through a Ph.D. fellowship strategic basic research (1S56920N) of the Research Foundation-Flanders (FWO). S.B. acknowledges financial support from ERC Consolidator Grant Number 815128 REALNANO. This research was financed by the Research Council of the University of Antwerp (BOF-GOA 33928). P.C. and R.-G.C. acknowledge financial support by FWO Flanders (project no. G038215N). The authors recognize the contribution of S. Pourbabak and T. Derez for the assistance with the Ag and carbon coating, Indah Prihatiningtyas and Bart Van der Bruggen for the assistance with the contact angle measurements, Daniel Choukroun for the use of the in-house-made hybrid flow cell, and Stijn Van den Broeck for his assistance with the FIB measurements. |
Approved |
Most recent IF: 5.9 |
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| |
Call Number |
UA @ admin @ c:irua:188887 |
Serial |
7099 |
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| Permanent link to this record |
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Author |
González-Rubio, G.; Milagres de Oliveira, T.; Albrecht, W.; Díaz-Núñez, P.; Castro-Palacio, J.C.; Prada, A.; González, R.I.; Scarabelli, L.; Bañares, L.; Rivera, A.; Liz-Marzán, L.M.; Peña-Rodríguez, O.; Bals, S.; Guerrero-Martínez, A. |
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Title |
Formation of Hollow Gold Nanocrystals by Nanosecond Laser Irradiation |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Journal Of Physical Chemistry Letters |
Abbreviated Journal |
J Phys Chem Lett |
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| |
Volume |
11 |
Issue |
11 |
Pages |
670-677 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The irradiation of spherical gold nanoparticles (AuNPs) with nanosecond laser pulses induces shape transformations yielding nanocrystals with an inner cavity. The concentration of the stabilizing surfactant, the use of moderate pulse fluences, and the size of the irradiated AuNPs determine the efficiency of the process and the nature of the void. Hollow nanocrystals are obtained when molecules from the surrounding medium (e.g., water and organic matter derived from the surfactant) are trapped during laser pulse irradiation. These experimental observations suggest the existence of a subtle balance between the heating and cooling processes experienced by the nanocrystals, which induce their expansion and subsequent recrystallization keeping exogenous matter inside. The described approach provides valuable insight into the mechanism of interaction of pulsed nanosecond laser with AuNPs, along with interesting prospects for the development of hollow plasmonic nanoparticles with potential applications related to gas and liquid storage at the nanoscale. |
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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 |
000512223400012 |
Publication Date |
2020-02-06 |
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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 |
1948-7185 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.7 |
Times cited |
15 |
Open Access |
OpenAccess |
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Notes |
This work has been funded by the Spanish Ministry of Science, Innovation and Universities (MICIU) (Grants RTI2018-095844-B-I00, PGC2018-096444-B-I00, ENE2015-70300-C3-3, and MAT2017-86659-R), the EUROfusion Consortium (Grant ENR-IFE19.CCFE-01) and the Madrid Regional Government (Grants P2018/NMT-4389 and P2018/EMT-4437). This project has received funding from the European Commission (grant 731019, EUSMI & grant 823717, ESTEEM3). The publication is based also upon work from COST Action TUMIEE (CA17126). The facilities provided by the Center for Ultrafast Lasers at Complutense University of Madrid are gratefully acknowledged. The authors also acknowledge the computer resources and technical assistance provided by the Centro de Supercomputacion y Visualizacion de Madrid (CeSViMa). L.M.L.-M. acknowledges the Maria de Maeztu Units of Excellence Program from the Spanish State Research Agency (Grant MDM-2017-0720). This project has also received funding from the European Research Council (ERC Consolidator Grant 815128, REALNANO). W.A. acknowledges an Individual Fellowship funded by the Marie Sklodowska-Curie Actions (MSCA) in Horizon 2020 program (Grant 797153, SOPMEN). A.P. and R.I.G. acknowledge the support of FONDECYT under Grants 3190123 and 11180557 and Financiamiento Basal para Centros Cientificos y Tecnologicos de Excelencia FB-0807. This research was partially supported by the supercomputing infrastructure of the NLHPC (ECM-02).; sygma; esteem3JRA; esteem3reported |
Approved |
Most recent IF: 5.7; 2020 IF: 9.353 |
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Call Number |
EMAT @ emat @c:irua:166504 |
Serial |
6334 |
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Author |
Leemans, J.; Singh, S.; Li, C.; Ten Brinck, S.; Bals, S.; Infante, I.; Moreels, I.; Hens, Z. |
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Title |
Near-Edge Ligand Stripping and Robust Radiative Exciton Recombination in CdSe/CdS Core/Crown Nanoplatelets |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Journal Of Physical Chemistry Letters |
Abbreviated Journal |
J Phys Chem Lett |
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Volume |
11 |
Issue |
9 |
Pages |
3339-3344 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We address the relation between surface chemistry and optoelectronic properties in semiconductor nanocrystals using core/crown CdSe/CdS nanoplatelets passivated by cadmium oleate (Cd(Ol)2) as model systems. We show that addition of butylamine to a nanoplatelet (NPL) dispersion maximally displaces ∼40% of the original Cd(Ol)2 capping. On the basis of density functional theory simulations, we argue that this behavior reflects the preferential displacement of Cd(Ol)2 from (near)-edge surface sites. Opposite from CdSe core NPLs, core/crown NPL dispersions can retain 45% of their initial photoluminescence efficiency after ligand displacement, while radiative exciton recombination keeps dominating the luminescent decay. Using electron microscopy observations, we assign this robust photoluminescence to NPLs with a complete CdS crown, which prevents charge carrier trapping in the near-edge surface sites created by ligand displacement. We conclude that Z-type ligands such as cadmium carboxylates can provide full electronic passivation of (100) facets yet are prone to displacement from (near)-edge surface sites. |
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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 |
000535177500024 |
Publication Date |
2020-05-07 |
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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 |
1948-7185 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.7 |
Times cited |
24 |
Open Access |
OpenAccess |
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Notes |
Universiteit Gent, GOA 01G01019 ; Fonds Wetenschappelijk Onderzoek, 17006602 FWO17/PDO/184 ; H2020 European Research Council, 714876 Phocona 815128 Realnano ; SIM-Flanders, SBO-QDOCCO ; Z.H. and S.B. acknowledge support by SIM-Flanders (SBO-QDOCCO). Z.H. acknowledges support by FWO-Vlaanderen (research project 17006602). Z.H. and I.M. acknowledge support by Ghent University (GOA n◦ 01G01019). J.L. acknowledges FWO-vlaanderen for a fellowship (SB PhD fellow at FWO). Sh.S acknowledges FWO postdoctoral funding (FWO17/PDO/184). This project has further received funding from the European Research Counsil under the European Union’s Horizon 2020 research and innovation programme (ERC Consolidator grant no. 815128 REALNANO and starting grant no. 714876 PHOCONA).; sygma |
Approved |
Most recent IF: 5.7; 2020 IF: 9.353 |
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Call Number |
EMAT @ emat @c:irua:173994 |
Serial |
6657 |
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Author |
Pinheiro, C.B.; Abakumov, A.M. |
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Title |
Superspace crystallography : a key to the chemistry and properties |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
IUCrJ |
Abbreviated Journal |
Iucrj |
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Volume |
2 |
Issue |
2 |
Pages |
137-154 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
An overview is given of the recent advances in the field of modulated molecular and inorganic crystals with an emphasis on the links between incommensurability, intermolecular and interatomic interactions and, wherever possible, the properties of the materials. The importance of detailed knowledge on the modulated structure for understanding the crystal chemistry and the functional properties of modulated phases is shown using selected examples of incommensurate modulations in organic molecular compounds and inorganic complex oxides. |
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Corporate Author |
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Thesis |
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Publisher |
Int union crystallography |
Place of Publication |
Chester |
Editor |
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Language |
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Wos |
000356865900016 |
Publication Date |
2014-12-17 |
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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 |
2052-2525; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.793 |
Times cited |
15 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 5.793; 2015 IF: NA |
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Call Number |
c:irua:127058 |
Serial |
3382 |
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Author |
Van Aert, S.; De Backer, A.; Martinez, G.T.; den Dekker, A.J.; Van Dyck, D.; Bals, S.; Van Tendeloo, G. |
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Title |
Advanced electron crystallography through model-based imaging |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
IUCrJ |
Abbreviated Journal |
Iucrj |
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Volume |
3 |
Issue |
3 |
Pages |
71-83 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab; Engineering Management (ENM) |
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Abstract |
The increasing need for precise determination of the atomic arrangement of non-periodic structures in materials design and the control of nanostructures explains the growing interest in quantitative transmission electron microscopy. The aim is to extract precise and accurate numbers for unknown structure parameters including atomic positions, chemical concentrations and atomic numbers. For this purpose, statistical parameter estimation theory has been shown to provide reliable results. In this theory, observations are considered purely as data planes, from which structure parameters have to be determined using a parametric model describing the images. As such, the positions of atom columns can be measured with a precision of the order of a few picometres, even though the resolution of the electron microscope is still one or two orders of magnitude larger. Moreover, small differences in average atomic number, which cannot be distinguished visually, can be quantified using high-angle annular dark-field scanning transmission electron microscopy images. In addition, this theory allows one to measure compositional changes at interfaces, to count atoms with single-atom sensitivity, and to reconstruct atomic structures in three dimensions. This feature article brings the reader up to date, summarizing the underlying theory and highlighting some of the recent applications of quantitative model-based transmisson electron microscopy. |
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Place of Publication |
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Language |
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Wos |
000368590900010 |
Publication Date |
2015-11-13 |
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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 |
2052-2525; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.793 |
Times cited |
30 |
Open Access |
OpenAccess |
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Notes |
The authors gratefully acknowledge the Research Foundation Flanders (FWO, Belgium) for funding and for a PhD grant to ADB. The research leading to these results has received funding from the European Union 7th Framework Program (FP7/20072013) under grant agreement No. 312483 (ESTEEM2). SB and GVT acknowledge the European Research Council under the 7th Framework Program (FP7), ERC grant No. 335078 – COLOURATOMS and ERC grant No. 246791 – COUNTATOMS.; esteem2jra2; ECASSara; (ROMEO:green; preprint:; postprint:can ; pdfversion:can); |
Approved |
Most recent IF: 5.793 |
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Call Number |
c:irua:129589 c:irua:129589 |
Serial |
3965 |
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Author |
Filez, M.; Redekop, E.A.; Poelman, H.; Galvita, V.V.; Meledina, M.; Turner, S.; Van Tendeloo, G.; Detavernier, C.; Marin, G.B. |
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Title |
One-pot synthesis of Pt catalysts based on layered double hydroxides: an application in propane dehydrogenation |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Catalysis science & technology |
Abbreviated Journal |
Catal Sci Technol |
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Volume |
6 |
Issue |
6 |
Pages |
1863-1869 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Simple methods for producing noble metal catalysts with well-defined active sites and improved performance are highly desired in the chemical industry. However, the development of such methods still presents a formidable synthetic challenge. Here, we demonstrate a one-pot synthesis route for the controlled production of bimetallic Pt–In catalysts based on the single-step formation of Mg,Al,Pt,In-containing layered double hydroxides (LDHs). Besides their simple synthesis, these Pt–In catalysts exhibit superior propane dehydrogenation activity compared to their multi-step synthesized analogs. The presented material serves as a showcase for the one-pot synthesis of a broader class of LDH-derived mono- and multimetallic Pt catalysts. The compositional flexibility provided by LDH materials can pave the way towards highperforming Pt-based catalysts with tunable physicochemical properties. |
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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 |
000372172800031 |
Publication Date |
2015-10-23 |
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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 |
2044-4753 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
5.773 |
Times cited |
12 |
Open Access |
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Notes |
This work was supported by the Fund for Scientific Research Flanders (FWO: G.0209.11), the ‘Long Term Structural Methusalem Funding by the Flemish Government’, the IAP 7/05 Interuniversity Attraction Poles Programme – Belgian State – Belgian Science Policy, and the Fund for Scientific Research Flanders (FWO-Vlaanderen) by supplying financing of beam time at the DUBBLE beamline of the ESRF and travel costs and a post-doctoral fellowship for S. T. The authors acknowledge the assistance from the DUBBLE (XAS campaign 26-01-979) and SuperXAS staff (Proposal 20131191). E. A. Redekop acknowledges the Marie Curie International Incoming Fellowship granted by the European Commission (Grant Agreement No. 301703). The authors also express their gratitude to O. Janssens for performing ex situ XRD characterization. |
Approved |
Most recent IF: 5.773 |
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Call Number |
c:irua:133167 |
Serial |
4057 |
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Author |
Van Aelst, J.; Philippaerts, A.; Bartholomeeusen, E.; Fayad, E.; Thibault-Starzyk, F.; Lu, J.; Schryvers, D.; Ooms, R.; Verboekend, D.; Jacobs, P.; Sels, B. |
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Title |
Towards biolubricant compatible vegetable oils by pore mouth hydrogenation with shape-selective Pt/ZSM-5 catalysts |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Catalysis science & technology |
Abbreviated Journal |
Catal Sci Technol |
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Volume |
6 |
Issue |
6 |
Pages |
2820-2828 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Pt/ZSM-5 catalysts with various crystal sizes were prepared via competitive ion-exchange, followed by a slow activation procedure. Even when using very large ZSM-5 crystals, highly dispersed Pt nano-clusters were contained within the zeolite crystal's voids, as ascertained by 2D pressure-jump IR spectroscopy of adsorbed CO and focussed ion-beam transmission electron microscopy. The shape-selective properties of the Pt/ZSM-5 catalysts were evaluated in the partial hydrogenation of soybean oil. Unique hydrogenation selectivities were observed, as the fatty acids located at the central position of the triacylglycerol (TAG) molecules were preferentially hydrogenated. The resulting oil has therefore high levels of intermediately melting TAGs, which are compatible with biolubricants due to their improved oxidative stability and still appropriate low-temperature fluidity. The TAG distribution in the partially hydrogenated soybean oil samples was independent from the zeolite crystal size, while the hydrogenation activity linearly increases with the crystal's external surface area. This trend was confirmed with a Pt loaded mesoporous ZSM-5 zeolite, obtained via a mild alkaline treatment. These observations imply and confirm a genuine pore mouth catalysis mechanism, in which only one fatty acid chain of the TAG is able to enter the micropores of ZSM-5, where the double bonds are hydrogenated by the crystal encapsulated Pt-clusters. |
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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 |
000374790200031 |
Publication Date |
2016-03-31 |
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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 |
2044-4753 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
5.773 |
Times cited |
5 |
Open Access |
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Notes |
The research was funded through a PhD grant to J. V. A. of the Agency for Innovation by Science and Technology in Flanders (IWT). A. P. and D. V. acknowledge the F. W. O.-Vlaanderen (Research Foundation Flanders) for a post-doctoral fellowship. E. B. was kindly funded by an F. W. O.-Vlaanderen project. This work was performed in the framework of an Associated International Laboratory between FWO and CNRS. |
Approved |
Most recent IF: 5.773 |
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Call Number |
EMAT @ emat @ c:irua:138981 |
Serial |
4335 |
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| Permanent link to this record |
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Author |
Abakumov, M.A.; Nukolova, N.V.; Sokolsky-Papkov, M.; Shein, S.A.; Sandalova, T.O.; Vishwasrao, H.M.; Grinenko, N.F.; Gubsky, I.L.; Abakumov, A.M.; Kabanov, A.V.; Chekhonin, V.P.; |
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Title |
VEGF-targeted magnetic nanoparticles for MRI visualization of brain tumor |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Nanomedicine: nanotechnology, biology and medicine |
Abbreviated Journal |
Nanomed-Nanotechnol |
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| |
Volume |
11 |
Issue |
11 |
Pages |
825-833 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
This work is focused on synthesis and characterization of targeted magnetic nanoparticles as magnetic resonance imaging (MRI) agents for in vivo visualization of gliomas. Ferric oxide (Fe3O4) cores were synthesized by thermal decomposition and coated with bovine serum albumin (BSA) to form nanoparticles with D-eff of 53 +/- 9 nm. The BSA was further cross-linked to improve colloidal stability. Monoclonal antibodies against vascular endothelial growth factor (mAbVEGF) were covalently conjugated to BSA through a polyethyleneglycol linker. Here we demonstrate that 1) BSA coated nanoparticles are stable and non-toxic to different cells at concentration up to 2.5 mg/mL; 2) conjugation of monoclonal antibodies to nanoparticles promotes their binding to VEGF-positive glioma C6 cells in vitro; 3) targeted nanoparticles are effective in MRI visualization of the intracranial glioma. Thus, mAbVEGF-targeted BSA-coated magnetic nanoparticles are promising MRI contrast agents for glioma visualization. (C) 2015 Elsevier Inc. All rights reserved. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
S.l. |
Editor |
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Language |
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Wos |
000354559600004 |
Publication Date |
2015-01-31 |
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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 |
1549-9634; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.72 |
Times cited |
62 |
Open Access |
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Notes |
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Approved |
Most recent IF: 5.72; 2015 IF: 6.155 |
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Call Number |
c:irua:126351 |
Serial |
3838 |
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| Permanent link to this record |
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Author |
Lobato Hoyos, I.P.; van Dyck, D. |
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Title |
An accurate parameterization for scattering factors, electron densities and electrostatic potentials for neutral atoms that obey all physical constraints |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Acta crystallographica: section A: foundations of crystallography |
Abbreviated Journal |
Acta Crystallogr A |
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Volume |
70 |
Issue |
6 |
Pages |
636-649 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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Abstract |
An efficient procedure and computer program are outlined for fitting numerical X-ray and electron scattering factors with the correct inclusion of all physical constraints. The numerical electron scattering factors have been parameterized using five analytic non-relativistic hydrogen electron scattering factors as basis functions for 103 neutral atoms of the periodic table. The inclusion of the correct physical constraints in the electron scattering factor and its derived quantities allows the use of the new parameterization in different fields. In terms of quality of the fit, the proposed parameterization of the electron scattering factor is one order of magnitude better than the previous analytic fittings. |
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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 |
Copenhagen |
Editor |
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Language |
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Wos |
000344599300012 |
Publication Date |
2014-10-16 |
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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 |
2053-2733; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
5.725 |
Times cited |
19 |
Open Access |
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Notes |
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Approved |
Most recent IF: 5.725; 2014 IF: NA |
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Call Number |
UA @ lucian @ c:irua:122103 |
Serial |
93 |
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| Permanent link to this record |
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Author |
Schowalter, M.; Rosenauer, A.; Titantah, J.T.; Lamoen, D. |
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Title |
Computation and parametrization of the temperature dependence of Debye-Waller factors for group IV, III-V and II-VI semiconductors |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Acta crystallographica: section A: foundations of crystallography |
Abbreviated Journal |
Acta Crystallogr A |
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Volume |
65 |
Issue |
1 |
Pages |
5-17 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We calculated the temperature dependence of the Debye-Waller factors for a variety of group IV, III-V and II-VI semiconductors from 0.1 to 1000 K. The approach used to fit the temperature dependence is described and resulting fit parameters are tabulated for each material. The Debye-Waller factors are deduced from generalized phonon densities of states which were derived from first principles using the WIEN2k and the ABINIT codes. |
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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 |
Copenhagen |
Editor |
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Language |
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Wos |
000261799500002 |
Publication Date |
2008-11-05 |
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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 |
0108-7673; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.725 |
Times cited |
51 |
Open Access |
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Notes |
Fwo G.0425.05; Esteem 026019 |
Approved |
Most recent IF: 5.725; 2009 IF: 49.926 |
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Call Number |
UA @ lucian @ c:irua:72918 |
Serial |
453 |
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| Permanent link to this record |
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Author |
Schowalter, M.; Rosenauer, A.; Titantah, J.T.; Lamoen, D. |
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Title |
Temperature-dependent Debye-Waller factors for semiconductors with the wurtzite-type structure |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Acta crystallographica: section A: foundations of crystallography |
Abbreviated Journal |
Acta Crystallogr A |
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Volume |
65 |
Issue |
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Pages |
227-231 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We computed Debye-Waller factors in the temperature range from 0.1 to 1000 K for AlN, GaN, InN, ZnO and CdO with the wurtzite-type structure. The Debye-Waller factors were derived from phonon densities of states obtained from Hellmann-Feynman forces computed within the density-functional-theory formalism. The temperature dependences of the Debye-Waller factors were fitted and fit parameters are given. |
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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 |
Copenhagen |
Editor |
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Language |
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Wos |
000264927100006 |
Publication Date |
2009-03-12 |
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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 |
0108-7673; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.725 |
Times cited |
23 |
Open Access |
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Notes |
Fwo G.0425.05; Esteem 026019 |
Approved |
Most recent IF: 5.725; 2009 IF: 49.926 |
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Call Number |
UA @ lucian @ c:irua:74565 |
Serial |
3497 |
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| Permanent link to this record |
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Author |
Hadermann, J.; Van Tendeloo, G.; Abakumov, A.M. |
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Title |
Transmission electron microscopy and structural phase transitions in anion-deficient perovskite-based oxides |
Type |
A1 Journal article |
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Year |
2005 |
Publication |
Acta crystallographica: section A: foundations of crystallography |
Abbreviated Journal |
Acta Crystallogr A |
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Volume |
61 |
Issue |
1 |
Pages |
77-92 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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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 |
Copenhagen |
Editor |
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Language |
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Wos |
000225865500008 |
Publication Date |
2004-12-22 |
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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 |
0108-7673; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.725 |
Times cited |
18 |
Open Access |
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Notes |
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Approved |
Most recent IF: 5.725; 2005 IF: 1.791 |
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Call Number |
UA @ lucian @ c:irua:51442 |
Serial |
3706 |
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| Permanent link to this record |
