Records |
Author |
Pearce, P.E.; Rousse, G.; Karakulina, O.M.; Hadermann, J.; Van Tendeloo, G.; Foix, D.; Fauth, F.; Abakumov, A.M.; Tarascon, J.-M. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
β-Na1.7IrO3: A Tridimensional Na-Ion Insertion Material with a Redox Active Oxygen Network |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
30 |
Issue |
10 |
Pages |
3285-3293 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The revival of the Na-ion battery concept has prompted an intense search for new high capacity Na-based positive electrodes. Recently, emphasis has been placed on manipulating Na-based layered compounds to trigger the participation of the anionic network. We further explored this direction and show the feasibility of achieving anionic-redox activity in three-dimensional Na-based compounds. A new 3D β-Na1.7IrO3 phase was synthesized in a two-step process, which involves first the electrochemical removal of Li from β-Li2IrO3 to produce β-IrO3, which is subsequently reduced by electrochemical Na insertion. We show that β-Na1.7IrO3 can reversibly uptake nearly 1.3 Na+ per formula unit through an uneven voltage profile characterized by the presence of four plateaus related to structural transitions. Surprisingly, the β-Na1.7IrO3 phase was found to be stable up to 600 °C, while it could not be directly synthesized via conventional synthetic methods. Although these Na-based iridate phases are of limited practical interest, they help to understand how introducing highly polarizable guest ions (Na+) into host rocksalt-derived oxide structures affects the anionic redox mechanism. |
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 |
000433403800014 |
Publication Date |
2018-05-22 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0897-4756 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
6 |
Open Access |
OpenAccess |
Notes |
The authors thank A. Perez for fruitful discussions and his valuable help in synchrotron XRD experiment and Matthieu Courty for carrying out the DSC measurements. The authors also greatly thank Matthieu Saubanère and Marie-Liesse Doublet for valuable discussions on theoretical aspects of this work. This work is based on experiments performed on the Materials Science and Powder Diffraction Beamline at ALBA synchrotron (Proposal 2016091814), Cerdanyola del Vallès, E- 08290 Barcelona, Spain. J.-M.T. acknowledges funding from the European Research Council (ERC) (FP/2014)/ERC Grant- Project 670116-ARPEMA. G.R. acknowledges funding from ANR DeliRedox. O.M.K., J.H., and A.M.A. are grateful to FWO Vlaanderen for financial support under Grant G040116N. |
Approved |
Most recent IF: 9.466 |
Call Number |
EMAT @ emat @c:irua:152048 |
Serial |
4996 |
Permanent link to this record |
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|
|
Author |
Chernov, S.V.; Dobrovolsky, Y.A.; Istomin, S.Y.; Antipov, E.V.; Grins, J.; Svensson, G.; Tarakina, N.V.; Abakumov, A.M.; Van Tendeloo, G.; Eriksson, S.G.; Rahman, S.M.H.; |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
_Sr{2}GaScO5, Sr10Ga6Sc4O25, and SrGa0.75Sc0.25O2.5 : a play in the octahedra to tetrahedra ratio in oxygen-deficient perovskites |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
Volume |
51 |
Issue |
2 |
Pages |
1094-1103 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Three different perovskite-related phases were isolated in the SrGa(1-x)Sc(x)O(2.5) system: Sr(2)GaScO(5), Sr(10)Ga(6)Sc(4)O(25), and SrGa(0.75)Sc(0.25)O(2.5), Sr(2)GaScO(5) (x = 0.5) crystallizes in a brownrnillerite-type structure [space group (S.G.) Icmm, a = 5.91048(5) angstrom, b = 15.1594(1) angstrom, and c = 5.70926(4) angstrom] with complete ordering of Sc(3+) and Ga(3+) over octahedral and tetrahedral positions, respectively. The crystal structure of Sr(10)Ga(6)Sc(4)O(25) (x = 0.4) was determined by the Monte Carlo method and refined using a combination of X-ray, neutron, and electron diffraction data [S.G. I4(1)/a, a = 17.517(1) angstrom, c = 32.830(3) angstrom]. It represents a novel type of ordering of the B cations and oxygen vacancies in perovskites. The crystal structure of Sr(10)Ga(6)Sc(4)O(25) can be described as a stacking of eight perovskite layers along the c axis ...[-(Sc/Ga)O(1.6)-SrO(0.8)-(Sc/Ga)O(1.8)-SrO(0.8)-](2 center dot center dot center dot) Similar to Sr(2)GaScO(5), this structure features a complete ordering of the Sc(3+) and Ga(3+) cations over octahedral and tetrahedral positions, respectively, within each layer. A specific feature of the crystal structure of Sr(10)Ga(6)Sc(4)O(25) is that one-third of the tetrahedra have one vertex not connected with other Sc/Ga cations. Further partial replacement of Sc(3+) by Ga(3+) leads to the formation of the cubic perovskite phase SrGa(0.75)Sc(0.25)O(2.5) (x = 0.25) with a = 3.9817(4) angstrom. This compound incorporates water molecules in the structure forming SrGa(0.75)Sc(0.25)O(2.5)center dot xH(2)O hydrate, which exhibits a proton conductivity of similar to 2.0 x 10(-6) S/cm at 673 K. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Easton, Pa |
Editor |
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Language |
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Wos |
000299028800042 |
Publication Date |
2011-12-22 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0020-1669;1520-510X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.857 |
Times cited |
14 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 4.857; 2012 IF: 4.593 |
Call Number |
UA @ lucian @ c:irua:96229 |
Serial |
3559 |
Permanent link to this record |
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|
Author |
Fröba, M.; Köhn, R.; Bouffaud, G.; Richard, O.; Van Tendeloo, G. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
_Fe2O3 nanoparticles with mesoporous MCM-48 silica: in situ formation and characterisation |
Type |
A1 Journal article |
Year |
1999 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
11 |
Issue |
|
Pages |
2858-2865 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000083261100032 |
Publication Date |
2002-07-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
202 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 9.466; 1999 IF: 3.273 |
Call Number |
UA @ lucian @ c:irua:29721 |
Serial |
3530 |
Permanent link to this record |
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|
Author |
Yang, T.; Abakumov, A.M.; Hadermann, J.; Van Tendeloo, G.; Nowik, I.; Stephens, P.W.; Hamberger, J.; Tsirlin, A.A.; Ramanujachary, K.V.; Lofland, S.; Croft, M.; Ignatov, A.; Sun, J.; Greenblatt, M. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
_BiMnFe2O6, a polysynthetically twinned hcp MO structure |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Chemical science |
Abbreviated Journal |
Chem Sci |
Volume |
1 |
Issue |
6 |
Pages |
751-762 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The most efficient use of spatial volume and the lowest potential energies in the metal oxide structures are based on cubic close packing (ccp) or hexagonal close packing (hcp) of anions with cations occupying the interstices. A promising way to tune the composition of close packed oxides and design new compounds is related to fragmenting the parent structure into modules by periodically spaced planar interfaces, such as twin planes at the unit cell scale. The unique crystal chemistry properties of cations with a lone electron pair, such as Bi3+ or Pb2+, when located at interfaces, enables them to act as chemical scissors, to help relieve configurational strain. With this approach, we synthesized a new oxide, BiMnFe2O6, where fragments of the hypothetical hcp oxygen-based MO structure (the NiAs structure type), for the first time, serve as the building modules in a complex transition metal oxide. Mn3+ and Fe3+ ions are randomly distributed in two crystallographically independent sites (M1 and M2). The structure consists of quasi two-dimensional blocks of the 2H hexagonal close packed MO structure cut along the (114) crystal plane of the hcp lattice and stacked along the c axis. The blocks are related by a mirror operation that allows BiMnFe2O6 to be considered as a polysynthetically twinned 2H hcp MO structure. The transition to an AFM state with an incommensurate spin configuration at [similar] 212 K is established by 57Fe Mössbauer spectroscopy, magnetic susceptibility, specific heat and low temperature powder neutron diffraction. |
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 |
000283939200013 |
Publication Date |
2010-10-12 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2041-6520;2041-6539; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.668 |
Times cited |
12 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 8.668; 2010 IF: NA |
Call Number |
UA @ lucian @ c:irua:85823 |
Serial |
3517 |
Permanent link to this record |
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|
Author |
Abakumov, A.M.; Hadermann, J.; Van Tendeloo, G.; Kovba, M.L.; Skolis, Y.Y.; Mudretsova, S.N.; Antipov, E.V.; Volkova, O.S.; Vasiliev, A.N.; Tristan, N.; Klingeler, R.; Büchner, B. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
[SrF0.8(OH)0.2]2.526[Mn6O12]: columnar rock-salt fragments inside the todorokite-type tunnel structure |
Type |
A1 Journal article |
Year |
2007 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
19 |
Issue |
5 |
Pages |
1181-1189 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000244467800035 |
Publication Date |
2007-02-13 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
9 |
Open Access |
|
Notes |
Iap V-1 |
Approved |
Most recent IF: 9.466; 2007 IF: 4.883 |
Call Number |
UA @ lucian @ c:irua:62525 |
Serial |
3561 |
Permanent link to this record |
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|
Author |
Vannier, R.-N.; Théry, O.; Kinowski, C.; Huvé, M.; Van Tendeloo, G.; Suard, E.; Abraham, F. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Zr substituted bismuth uranate |
Type |
A1 Journal article |
Year |
1999 |
Publication |
Journal of materials chemistry |
Abbreviated Journal |
J Mater Chem |
Volume |
9 |
Issue |
|
Pages |
435-443 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
|
Language |
|
Wos |
000078572900019 |
Publication Date |
2002-07-26 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0959-9428;1364-5501; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
4 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:29714 |
Serial |
3937 |
Permanent link to this record |
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|
|
Author |
Kuno, Y.; Tassel, C.; Fujita, K.; Batuk, D.; Abakumov, A.M.; Shitara, K.; Kuwabara, A.; Moriwake, H.; Watabe, D.; Ritter, C.; Brown, C.M.; Yamamoto, T.; Takeiri, F.; Abe, R.; Kobayashi, Y.; Tanaka, K.; Kageyama, H. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
ZnTaO2N: Stabilized High-Temperature LiNbO3-type Structure |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
Volume |
138 |
Issue |
138 |
Pages |
15950-15955 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
By using a high-pressure reaction, we prepared a new oxynitride ZnTaO2N that crystallizes in a centrosymmetric (R (3) over barc) high-temperature LiNbO3-type structure (HTLN-type). The stabilization of the HTLN-type structure down to low temperatures (at least 20 K) makes it possible to investigate not only the stability of this phase, but also the phase transition to a noncentrosymmetric (R3c) LiNbO3-type structure (LN-type) which is yet to be clarified. Synchrotron and neutron diffraction studies in combination with transmission electron microscopy show that Zn is located at a disordered 12c site instead of 6a, implying an order disorder mechanism of the phase transition. It is found that the dosed d-shell of Zn2+, as well as the high-valent Ta5+ ion, is responsible for the stabilization of the HTLN-type structure, affording a novel quasitriangular ZnO2N coordination. Interestingly, only 3% Zn substitution for MnTaO2N induces a phase transition from LN- to HTLN-type structure, implying the proximity in energy between the two structural types, which is supported by the first-principles calculations. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000389962800032 |
Publication Date |
2016-11-18 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0002-7863 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
13.858 |
Times cited |
13 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 13.858 |
Call Number |
UA @ lucian @ c:irua:140298 |
Serial |
4452 |
Permanent link to this record |
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|
|
Author |
Esken, D.; Noei, H.; Wang, Y.; Wiktor, C.; Turner, S.; Van Tendeloo, G.; Fischer, R.A. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
ZnO@ZIF-8 : stabilization of quantum confined ZnO nanoparticles by a zinc methylimidazolate framework and their surface structural characterization probed by CO2 adsorption |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Journal of materials chemistry |
Abbreviated Journal |
J Mater Chem |
Volume |
21 |
Issue |
16 |
Pages |
5907-5915 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The microporous and activated zeolitic imidazolate framework (Zn(MeIM)2; MeIM = imidazolate-2-methyl; ZIF-8) was loaded with the MOCVD precursor diethyl zinc [Zn(C2H5)2]. Exposure of ZIF-8 to the vapour of the volatile organometallic molecule resulted in the formation of the inclusion compound [Zn(C2H5)2]0.38@ZIF-8 revealing two precursor molecules per cavity. In a second step the obtained material was treated with oxygen (5 vol% in argon) at various temperatures (oxidative annealing) to achieve the composite material ZnO0.35@ZIF-8. The new material was characterized with powder XRD, FT-IR, UV-vis, solid state NMR, elemental analysis, N2 sorption measurements, and transmission electron microscopy. The data give evidence for the presence of nano-sized ZnO particles stabilized by ZIF-8 showing a blue-shift of the UV-vis absorption caused by quantum size effect (QSE). The surface structure and reactivity of embedded ZnO nanoparticles were characterized via carbon dioxide adsorption at different temperatures monitored by ultra-high vacuum FTIR techniques. It was found that the surface of ZnO nanoparticles is dominated by polar OZnO and ZnZnO facets as well as by defect sites, which all exhibit high reactivity towards CO2 activation forming various adsorbed carbonate and chemisorbed CO2δ− species. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
|
Language |
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Wos |
000289260000012 |
Publication Date |
2011-03-19 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0959-9428;1364-5501; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
76 |
Open Access |
|
Notes |
Esteem 026019 |
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:88641 |
Serial |
3936 |
Permanent link to this record |
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|
Author |
Bekermann, D.; Gasparotto, A.; Barreca, D.; Devi, A.; Fischer, R.A.; Kete, M.; Štangar, U.L.; Lebedev, O.I.; Maccato, C.; Tondello, E.; Van Tendeloo, G. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
ZnO nanorod arrays by plasma-enhanced CVD for light-activated functional applications |
Type |
A1 Journal article |
Year |
2010 |
Publication |
ChemPhysChem : a European journal of chemical physics and physical chemistry |
Abbreviated Journal |
Chemphyschem |
Volume |
11 |
Issue |
11 |
Pages |
2337-2340 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Switch of the surface properties: Supported ZnO nanorod arrays with tailored roughness and aspect ratios are successfully synthesized by plasma-enhanced chemical vapor deposition. Such nanostructures exhibit significant superhydrophilic and photocatalytic properties tunable as a function of their morphological organization (see picture). This renders them promising building blocks for the fabrication of stimuli-responsive materials. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Weinheim |
Editor |
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Language |
|
Wos |
000281061500008 |
Publication Date |
2010-06-16 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1439-4235;1439-7641; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.075 |
Times cited |
38 |
Open Access |
|
Notes |
Esteem 026019 |
Approved |
Most recent IF: 3.075; 2010 IF: 3.340 |
Call Number |
UA @ lucian @ c:irua:84594 |
Serial |
3935 |
Permanent link to this record |
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|
Author |
Terzano, R.; al Chami, Z.; Vekemans, B.; Janssens, K.; Miano, T.; Ruggiero, P. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Zinc distribution and speciation within rocket plants (Eruca vesicaria L. Cavalieri) grown on a polluted soil amended with compost as determined by XRF microtomography and Micro-Xanes |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Journal of agricultural and food chemistry |
Abbreviated Journal |
J Agr Food Chem |
Volume |
56 |
Issue |
9 |
Pages |
3222-3231 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
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Language |
|
Wos |
000255655600050 |
Publication Date |
2008-04-15 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8561 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.154 |
Times cited |
68 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.154; 2008 IF: 2.562 |
Call Number |
UA @ admin @ c:irua:69147 |
Serial |
5925 |
Permanent link to this record |
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|
|
Author |
Gonzalez, V.; Cotte, M.; Vanmeert, F.; de Nolf, W.; Janssens, K. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
X-ray diffraction mapping for cultural heritage science : a review of experimental configurations and applications |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Chemistry: a European journal |
Abbreviated Journal |
Chem-Eur J |
Volume |
26 |
Issue |
26 |
Pages |
1703-1719 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
X-ray diffraction (XRD) mapping consists in the acquisition of XRD patterns at each pixel (or voxel) of an area (or volume). The spatial resolution ranges from the micrometer (mu XRD) to the millimeter (MA-XRD) scale, making the technique relevant for tiny samples up to large objects. Although XRD is primarily used for the identification of different materials in (complex) mixtures, additional information regarding the crystallite size, their orientation, and their in-depth distribution can also be obtained. Through mapping, these different types of information can be located on the studied sample/object. Cultural heritage objects are usually highly heterogeneous, and contain both original and later (degradation, conservation) materials. Their structural characterization is required both to determine ancient manufacturing processes and to evaluate their conservation state. Together with other mapping techniques, XRD mapping is increasingly used for these purposes. Here, the authors review applications as well as the various configurations for XRD mapping (synchrotron/laboratory X-ray source, poly-/monochromatic beam, micro/macro beam, 2D/3D, transmission/reflection mode). On-going hardware and software developments will further establish the technique as a key tool in heritage science. |
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 |
|
Wos |
000501927300001 |
Publication Date |
2019-10-14 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0947-6539 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.317 |
Times cited |
|
Open Access |
|
Notes |
; M.C. thanks the KNAW for supporting her stays in the Netherlands through the Descartes Huygens price. V.G. and M.C. thank the Center of Research and Restoration of French Museums (C2RMF), Paris and in particular Myriam Eveno, for the collaboration on Rembrandt's impastos (Figure 7). M.C. is indebted to the Afghan government, NRICPT and in particular, Yoko Taniguchi for providing samples shown in Figure 5. K.J. and F.V. acknowledge the University of Antwerp Research Council for financial support via GOA project SolarPaint as well as InterReg project Smart*Light. FWO projects G057419N and G056619N are also acknowledged. The authors also wish to acknowledge the Van Gogh and Kroller-Muller museums, the Rijksmuseum, the Royal Museum of Fine Arts Antwerp and the Louvre museum for the constructive and inspiring collaborations in the past decade. Various beam lines and the staff at ESRF and DESY are thanked for providing beam time and support during experiments. ; |
Approved |
Most recent IF: 5.317 |
Call Number |
UA @ admin @ c:irua:165061 |
Serial |
5911 |
Permanent link to this record |
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|
|
Author |
Cornil, D.; Li, H.; Wood, C.; Pourtois, G.; Bredas, J.-L.; Cornil, J. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Work-function modification of Au and Ag surfaces upon deposition of self-assembled monolayers : influence of the choice of the theoretical approach and the thiol decomposition scheme |
Type |
A1 Journal article |
Year |
2013 |
Publication |
ChemPhysChem : a European journal of chemical physics and physical chemistry |
Abbreviated Journal |
Chemphyschem |
Volume |
14 |
Issue |
13 |
Pages |
2939-2946 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
We have characterized theoretically the work-function modifications of the (111) surfaces of gold and silver upon deposition of self-assembled monolayers based on methanethiol and trifluoromethanethiol. A comparative analysis is made between the experimental results and those obtained from two widely used approaches based on density functional theory. The contributions to the total work-function modifications are estimated on the basis of two decomposition schemes of the thiol molecules that have been proposed in the literature. The contributions are found to differ significantly between the two approaches, as do the corresponding adsorption energies. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
Language |
|
Wos |
000324316000014 |
Publication Date |
2013-07-15 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1439-4235; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.075 |
Times cited |
9 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.075; 2013 IF: 3.360 |
Call Number |
UA @ lucian @ c:irua:112278 |
Serial |
3923 |
Permanent link to this record |
|
|
|
Author |
Yang, X.-Y.; Tian, G.; Chen, L.-H.; Li, Y.; Rooke, J.C.; Wei, Y.-X.; Liu, Z.-M.; Deng, Z.; Van Tendeloo, G.; Su, B.-L. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Well-organized zeolite nanocrystal aggregates with interconnected hierarchically micro-meso-macropore systems showing enhanced catalytic performance |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Chemistry: a European journal |
Abbreviated Journal |
Chem-Eur J |
Volume |
17 |
Issue |
52 |
Pages |
14987-14995 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Preparation and characterization of well-organized zeolitic nanocrystal aggregates with an interconnected hierarchically micromesomacro porous system are described. Amorphous nanoparticles in bimodal aluminosilicates were directly transformed into highly crystalline nanosized zeolites, as well as acting as scaffold template. All pores on three length scales incorporated in one solid body are interconnected with each other. These zeolitic nanocrystal aggregates with hierarchically micromesomacroporous structure were thoroughly characterized. TEM images and 29Si NMR spectra showed that the amorphous phase of the initial material had been completely replaced by nanocrystals to give a micromesomacroporous crystalline zeolitic structure. Catalytic testing demonstrated their superiority due to the highly active sites and the presence of interconnected micromesomacroporosity in the cracking of bulky 1,3,5-triisopropylbenzene (TIPB) compared to traditional zeolite catalysts. This synthesis strategy was extended to prepare various zeolitic nanocrystal aggregates (ZSM-5, Beta, TS-1, etc.) with well-organized hierarchical micromesomacroporous structures. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
Language |
|
Wos |
000298547300035 |
Publication Date |
2011-11-23 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0947-6539; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.317 |
Times cited |
61 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 5.317; 2011 IF: 5.925 |
Call Number |
UA @ lucian @ c:irua:96274 |
Serial |
3913 |
Permanent link to this record |
|
|
|
Author |
Yang, S.; An, H.; Anastasiadou, D.; Xu, W.; Wu, L.; Wang, H.; de Ruiter, J.; Arnouts, S.; Figueiredo, M.C.; Bals, S.; Altantzis, T.; van der Stam, W.; Weckhuysen, B.M. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Waste-derived copper-lead electrocatalysts for CO₂ reduction |
Type |
A1 Journal article |
Year |
2022 |
Publication |
ChemCatChem |
Abbreviated Journal |
Chemcatchem |
Volume |
14 |
Issue |
18 |
Pages |
e202200754-11 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) |
Abstract |
It remains a real challenge to control the selectivity of the electrocatalytic CO2 reduction (eCO(2)R) reaction to valuable chemicals and fuels. Most of the electrocatalysts are made of non-renewable metal resources, which hampers their large-scale implementation. Here, we report the preparation of bimetallic copper-lead (CuPb) electrocatalysts from industrial metallurgical waste. The metal ions were extracted from the metallurgical waste through simple chemical treatment with ammonium chloride, and CuxPby electrocatalysts with tunable compositions were fabricated through electrodeposition at varying cathodic potentials. X-ray spectroscopy techniques showed that the pristine electrocatalysts consist of Cu-0, Cu1+ and Pb2+ domains, and no evidence for alloy formation was found. We found a volcano-shape relationship between eCO(2)R selectivity toward two electron products, such as CO, and the elemental ratio of Cu and Pb. A maximum Faradaic efficiency towards CO was found for Cu9.00Pb1.00, which was four times higher than that of pure Cu, under the same electrocatalytic conditions. In situ Raman spectroscopy revealed that the optimal amount of Pb effectively improved the reducibility of the pristine Cu1+ and Pb2+ domains to metallic Cu and Pb, which boosted the selectivity towards CO by synergistic effects. This work provides a framework of thinking to design and tune the selectivity of bimetallic electrocatalysts for CO2 reduction through valorization of metallurgical waste. |
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 |
|
Wos |
000853941300001 |
Publication Date |
2022-06-28 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1867-3880; 1867-3899 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.5 |
Times cited |
7 |
Open Access |
OpenAccess |
Notes |
S.Y and B.M.W. acknowledge support from the EU Framework Programme for Research and Innovation Horizon 2020 (SOCRATES-721385; project website: http://etn-socrates.eu/). W.v.d.S., M.C.F. and B.M.W. acknowledge support from the Strategic UU-TU/e Alliance project 'Joint Centre for Chemergy Research'. S.B. acknowledges support from the European Research Council (ERC Consolidator Grant #815128 REALNANO). S.A. and T.A. acknowledge funding from the University of Antwerp Research fund (BOF). The Beijing Synchrotron Radiation Facility (1W1B, BSRF) is acknowledged for the beamtime. We are grateful to Annelies van der Bok and Bas Salzmann (Condensed Matter and Interfaces, Utrecht University, UU) for the support with the ICP-OES measurements. The authors thank dr. Robin Geitenbeek, Nikos Nikolopoulos, Ioannis Nikolopoulos, Jochem Wijten and Joris Janssens (Inorganic Chemistry and Catalysis, UU) for helpful discussions and technical support. The authors also thank Yuang Piao (Materials Chemistry and Catalysis, UU) for the help in the preparation of the figures of the article. |
Approved |
Most recent IF: 4.5 |
Call Number |
UA @ admin @ c:irua:190703 |
Serial |
7226 |
Permanent link to this record |
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|
|
Author |
Ortiz-Aguayo, D.; De Wael, K.; del Valle, M. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Voltammetric sensing using an array of modified SPCE coupled with machine learning strategies for the improved identification of opioids in presence of cutting agents |
Type |
A1 Journal article |
Year |
2021 |
Publication |
Journal Of Electroanalytical Chemistry |
Abbreviated Journal |
J Electroanal Chem |
Volume |
902 |
Issue |
|
Pages |
115770 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
Abstract |
This work reports the use of modified screen-printed carbon electrodes (SPCEs) for the identification of three drugs of abuse and two habitual cutting agents, caffeine and paracetamol, combining voltammetric sensing and chemometrics. In order to achieve this goal, codeine, heroin and morphine were subjected to Square Wave Voltammetry (SWV) at pH 7, in order to elucidate their electrochemical fingerprints. The optimized SPCEs electrode array, which have a differentiated response for the three oxidizable compounds, was derived from Carbon, Prussian blue, Cobalt (II) phthalocyanine, Copper (II) oxide, Polypyrrole and Palladium nanoparticles ink-modified carbon electrodes. Finally, Principal Component Analysis (PCA) coupled with Silhouette parameter assessment was used to select the most suitable combination of sensors for identification of drugs of abuse in presence of cutting agents. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
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Language |
|
Wos |
000714415500006 |
Publication Date |
2021-10-13 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1572-6657; 1873-2569 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.012 |
Times cited |
|
Open Access |
OpenAccess |
Notes |
|
Approved |
Most recent IF: 3.012 |
Call Number |
UA @ admin @ c:irua:184018 |
Serial |
8745 |
Permanent link to this record |
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|
|
Author |
Dik, J.; Janssens, K.; van der Snickt, G.; van der Loeff, L.; Rickers, K.; Cotte, M. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Visualization of a lost painting by Vincent van Gogh using synchrotron radiation based X-ray fluorescence elemental mapping |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
Volume |
80 |
Issue |
16 |
Pages |
6436-6442 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Vincent van Gogh (1853−1890), one of the founding fathers of modern painting, is best known for his vivid colors, his vibrant painting style, and his short but highly productive career. His productivity is even higher than generally realized, as many of his known paintings cover a previous composition. This is thought to be the case in one-third of his early period paintings. Van Gogh would often reuse the canvas of an abandoned painting and paint a new or modified composition on top. These hidden paintings offer a unique and intimate insight into the genesis of his works. Yet, current museum-based imaging tools are unable to properly visualize many of these hidden images. We present the first-time use of synchrotron radiation based X-ray fluorescence mapping, applied to visualize a womans head hidden under the work Patch of Grass by Van Gogh. We recorded decimeter-scale, X-ray fluorescence intensity maps, reflecting the distribution of specific elements in the paint layers. In doing so we succeeded in visualizing the hidden face with unprecedented detail. In particular, the distribution of Hg and Sb in the red and light tones, respectively, enabled an approximate color reconstruction of the flesh tones. This reconstruction proved to be the missing link for the comparison of the hidden face with Van Goghs known paintings. Our approach literally opens up new vistas in the nondestructive study of hidden paint layers, which applies to the oeuvre of Van Gogh in particular and to old master paintings in general. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
|
Language |
|
Wos |
000258448100039 |
Publication Date |
2008-07-29 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-2700; 5206-882x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.32 |
Times cited |
178 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 6.32; 2008 IF: 5.712 |
Call Number |
UA @ admin @ c:irua:74466 |
Serial |
5906 |
Permanent link to this record |
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|
|
Author |
Chizhov, A.S.; Rumyantseva, M.N.; Vasiliev, R.B.; Filatova, D.G.; Drozdov, K.A.; Krylov, I.V.; Abakumov, A.M.; Gaskov, A.M. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Visible light activated room temperature gas sensors based on nanocrystalline ZnO sensitized with CdSe quantum dots |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Sensors and actuators : B : chemical |
Abbreviated Journal |
Sensor Actuat B-Chem |
Volume |
205 |
Issue |
|
Pages |
305-312 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
This work reports the study of photoconductivity and visible light activated room temperature gas sensors properties of nanocrystalline ZnO thick films sensitized with colloidal CdSe quantum dots (QDs). Nanocrystalline zinc oxide (ZnO) was synthesized by the precipitation method. Colloidal CdSe quantum dots were obtained by high temperature colloidal synthesis. Sensitization was effectuated by three different procedures including direct adsorption of CdSe QDs stabilized with oleic acid on ZnO surface, anchoring to the ZnO surface through a bifunctional molecule of mercaptopropionic acid (MPA), and coating of CdSe QDs with a monolayer of MPA with subsequent adsorption on ZnO surface. Sensor measurements demonstrated that obtained QD CdSe/ZnO nanocomposites can be used for NO2 detection under visible (green) light illumination at room temperature without any thermal heating. (C) 2014 Elsevier B.V. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Lausanne |
Editor |
|
Language |
|
Wos |
000343117600041 |
Publication Date |
2014-09-06 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0925-4005; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.401 |
Times cited |
36 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 5.401; 2014 IF: 4.097 |
Call Number |
UA @ lucian @ c:irua:121107 |
Serial |
3848 |
Permanent link to this record |
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|
Author |
Kummamuru, N.B.; Eimer, D.A.; Idris, Z. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Viscosity measurement and correlation of unloaded and CO₂-loaded aqueous solutions of N-methyldiethanolamine + 2-amino-2-methyl-1-propanol |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Journal Of Chemical And Engineering Data |
Abbreviated Journal |
J Chem Eng Data |
Volume |
65 |
Issue |
6 |
Pages |
3072-3078 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
This work contributes to new and complementary experimental viscosity data for blended amine mixtures of aqueous N-methyldiethanolamine + 2-amino-2-methyl-1-propanol (MDEA + AMP) solutions with and without CO2 at different temperatures and mass fractions. For the unloaded MDEA + AMP solutions, measurements were conducted with total amine mass fractions ranging from 0.30 to 0.60. In the case of CO2-loaded aqueous MDEA + AMP solutions, experiments were performed at CO2 loadings ranging from 0.11 to 0.80. Proposed correlations were used to represent viscosity at the unloaded and CO2-loaded solutions within experimental uncertainty. |
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 |
000541740100016 |
Publication Date |
2020-05-18 |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-9568; 1520-5134 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.6 |
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.6; 2020 IF: 2.323 |
Call Number |
UA @ admin @ c:irua:180363 |
Serial |
8737 |
Permanent link to this record |
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|
Author |
Sozen, Y.; Yagmurcukardes, M.; Sahin, H. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Vibrational and optical identification of GeO₂ and GeO single layers : a first-principles study |
Type |
A1 Journal article |
Year |
2021 |
Publication |
Physical Chemistry Chemical Physics |
Abbreviated Journal |
Phys Chem Chem Phys |
Volume |
23 |
Issue |
37 |
Pages |
21307-21315 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
In the present work, the identification of two hexagonal phases of germanium oxides (namely GeO2 and GeO) through the vibrational and optical properties is reported using density functional theory calculations. While structural optimizations show that single-layer GeO2 and GeO crystallize in 1T and buckled phases, phonon band dispersions reveal the dynamical stability of each structure. First-order off-resonant Raman spectral predictions demonstrate that each free-standing single-layer possesses characteristic peaks that are representative for the identification of the germanium oxide phase. On the other hand, electronic band dispersion analysis shows the insulating and large-gap semiconducting nature of single-layer GeO2 and GeO, respectively. Moreover, optical absorption, reflectance, and transmittance spectra obtained by means of G(0)W(0)-BSE calculations reveal the existence of tightly bound excitons in each phase, displaying strong optical absorption. Furthermore, the excitonic gaps are found to be at deep UV and visible portions of the spectrum, for GeO2 and GeO crystals, with energies of 6.24 and 3.10 eV, respectively. In addition, at the prominent excitonic resonances, single-layers display high reflectivity with a zero transmittance, which is another indication of the strong light-matter interaction inside the crystal medium. |
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 |
000697364300001 |
Publication Date |
2021-09-02 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.123 |
Times cited |
|
Open Access |
Not_Open_Access |
Notes |
|
Approved |
Most recent IF: 4.123 |
Call Number |
UA @ admin @ c:irua:181571 |
Serial |
7044 |
Permanent link to this record |
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|
Author |
Simon, Q.; Barreca, D.; Gasparotto, A.; Maccato, C.; Montini, T.; Gombac, V.; Fornasiero, P.; Lebedev, O.I.; Turner, S.; Van Tendeloo, G. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Vertically oriented CuO/ZnO nanorod arrays : from plasma-assisted synthesis to photocatalytic H2 production |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Journal of materials chemistry |
Abbreviated Journal |
J Mater Chem |
Volume |
22 |
Issue |
23 |
Pages |
11739-11747 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
1D CuO/ZnO nanocomposites were grown on Si(100) substrates by means of an original two-step synthetic strategy. ZnO nanorod (NR) arrays were initially deposited by plasma enhanced-chemical vapor deposition (PE-CVD) from an ArO2 atmosphere. Subsequently, tailored amounts of CuO were dispersed over zinc oxide matrices by radio frequency (RF)-sputtering of Cu from Ar plasmas, followed by thermal treatment in air. A thorough characterization of the obtained systems was carried out by X-ray photoelectron and X-ray excited-Auger electron spectroscopies (XPS and XE-AES), glancing incidence X-ray diffraction (GIXRD), field emission-scanning electron microscopy (FE-SEM), energy dispersive X-ray spectroscopy (EDXS), atomic force microscopy (AFM), transmission electron microscopy (TEM), electron diffraction (ED) and energy filtered-TEM (EF-TEM). Pure and highly oriented CuO/ZnO NR arrays, free from ternary ZnCuO phases and characterized by a copper(II) oxide content controllable as a function of the adopted RF-power, were successfully obtained. Interestingly, the structural relationships between the two oxides at the CuO/ZnO interface were found to depend on the overall CuO loading. The obtained nanocomposites displayed promising photocatalytic performances in H2 production by reforming of ethanolwater solutions under simulated solar illumination, paving the way to the sustainable conversion of solar light into chemical energy. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
|
Language |
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Wos |
000304351400046 |
Publication Date |
2012-04-05 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0959-9428;1364-5501; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
74 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:98382 |
Serial |
3840 |
Permanent link to this record |
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|
|
Author |
Eren, I.; Ozen, S.; Sozen, Y.; Yagmurcukardes, M.; Sahin, H. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Vertical van der Waals heterostructure of single layer InSe and SiGe |
Type |
A1 Journal article |
Year |
2019 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
Volume |
123 |
Issue |
51 |
Pages |
31232-31237 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
We present a first-principles investigation on the stability, electronic structure, and mechanical response of ultrathin heterostructures composed of single layers of InSe and SiGe. First, by performing total energy optimization and phonon calculations, we show that single layers of InSe and SiGe can form dynamically stable heterostructures in 12 different stacking types. Valence and conduction band edges of the heterobilayers form a type-I heterojunction having a tiny band gap ranging between 0.09 and 0.48 eV. Calculations on elastic-stiffness tensor reveal that two mechanically soft single layers form a heterostructure which is stiffer than the constituent layers because of relatively strong interlayer interaction. Moreover, phonon analysis shows that the bilayer heterostructure has highly Raman active modes at 205.3 and 43.7 cm(-1), stemming from the out-of-plane interlayer mode and layer breathing mode, respectively. Our results show that, as a stable type-I heterojunction, ultrathin heterobilayer of InSe/SiGe holds promise for nanoscale device applications. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
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Language |
|
Wos |
000505632900050 |
Publication Date |
2019-12-03 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1932-7447; 1932-7455 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.536 |
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: 4.536 |
Call Number |
UA @ admin @ c:irua:165718 |
Serial |
6332 |
Permanent link to this record |
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|
Author |
Dabaghmanesh, S.; Neyts, E.C.; Partoens, B. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
van der Waals density functionals applied to corundum-type sesquioxides : bulk properties and adsorption of CH3 and C6H6 on (0001) surfaces |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
Volume |
18 |
Issue |
18 |
Pages |
23139-23146 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
van der Waals (vdW) forces play an important role in the adsorption of molecules on the surface of solids. However, the choice of the most suitable vdW functional for different systems is an essential problem which must be addressed for different systems. The lack of a systematic study on the performance of the vdW functionals in the bulk and adsorption properties of metal-oxides motivated us to examine different vdW approaches and compute the bulk and molecular adsorption properties of alpha-Cr2O3, alpha-Fe2O3, and alpha-Al2O3. For the bulk properties, we compared our results for the heat of formation, cohesive energy, lattice parameters and bond distances between the different vdW functionals and available experimental data. Next we studied the adsorption of benzene and CH3 molecules on top of different oxide surfaces. We employed different approximations to exchange and correlation within DFT, namely, the Perdew-Burke-Ernzerhof (PBE) GGA, (PBE)+U, and vdW density functionals [ DFT(vdW-DF/DF2/optPBE/optB86b/optB88)+U] as well as DFT-D2/D3(+U) methods of Grimme for the bulk calculations and optB86b-vdW(+U) and DFT-D2(+U) for the adsorption energy calculations. Our results highlight the importance of vdW interactions not only in the adsorption of molecules, but importantly also for the bulk properties. Although the vdW contribution in the adsorption of CH3 (as a chemisorption interaction) is less important compared to the adsorption of benzene (as a physisorption interaction), this contribution is not negligible. Also adsorption of benzene on ferryl/chromyl terminated surfaces shows an important chemisorption contribution in which the vdW interactions become less significant. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000382109300040 |
Publication Date |
2016-07-27 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.123 |
Times cited |
6 |
Open Access |
|
Notes |
; This work was supported by the Strategic Initiative Materials in Flanders (SIM). The computational resources and services used in this work were provided by the Vlaams Supercomputer Centrum (VSC) and the HPC infrastructure of the University of Antwerp. ; |
Approved |
Most recent IF: 4.123 |
Call Number |
UA @ lucian @ c:irua:135701 |
Serial |
4311 |
Permanent link to this record |
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|
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Author |
Verberck, B.; Popov, V.N.; Nikolaev, A.V.; Lamoen, D. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Valence electronic charge density of distorted C60-monomers in polymerized KC60 and RbC60 |
Type |
A1 Journal article |
Year |
2004 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
Volume |
121 |
Issue |
|
Pages |
321 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000222112100035 |
Publication Date |
2004-06-16 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-9606; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.965 |
Times cited |
7 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.965; 2004 IF: 3.105 |
Call Number |
UA @ lucian @ c:irua:47380 |
Serial |
3830 |
Permanent link to this record |
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|
|
Author |
Iyikanat, F.; Sahin, H.; Senger, R.T.; Peeters, F.M. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Vacancy formation and oxidation characteristics of single layer TiS3 |
Type |
A1 Journal article |
Year |
2015 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
Volume |
119 |
Issue |
119 |
Pages |
10709-10715 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
The structural, electronic, and magnetic properties of pristine, defective, and oxidized monolayer TiS3 are investigated using first-principles calculations in the framework of density functional theory. We found that a single layer of TiS3 is a direct band gap semiconductor, and the bonding nature of the crystal is fundamentally different from other transition metal chalcogenides. The negatively charged surfaces of single layer TiS3 makes this crystal a promising material for lubrication applications. The formation energies of possible vacancies, i.e. S, Ti, TiS, and double S, are investigated via total energy optimization calculations. We found that the formation of a single S vacancy was the most likely one among the considered vacancy types. While a single S vacancy results in a nonmagnetic, semiconducting character with an enhanced band gap, other vacancy types induce metallic behavior with spin polarization of 0.3-0.8 mu(B). The reactivity of pristine and defective TiS3 crystals against oxidation was investigated using conjugate gradient calculations where we considered the interaction with atomic O, O-2, and O-3. While O-2 has the lowest binding energy with 0.05-0.07 eV, O-3 forms strong bonds stable even at moderate temperatures. The strong interaction (3.9-4.0 eV) between atomic O and TiS3 results in dissociative adsorption of some O-containing molecules. In addition, the presence of S-vacancies enhances the reactivity of the surface with atomic O, whereas it had a negative effect on the reactivity with O-2 and O-3 molecules. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000354912200063 |
Publication Date |
2015-04-28 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.536 |
Times cited |
51 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus Marie Curie Fellowship. RI., H.S., and R.T.S. acknowledge the support from TUBITAK through project 114F397. ; |
Approved |
Most recent IF: 4.536; 2015 IF: 4.772 |
Call Number |
c:irua:126410 |
Serial |
3829 |
Permanent link to this record |
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Author |
Ilin, A.; Martyshov, M.; Forsh, E.; Forsh, P.; Rumyantseva, M.; Abakumov, A.; Gaskov, A.; Kashkarov, P. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
UV effect on NO2 sensing properties of nanocrystalline In2O3 |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Sensors and actuators : B : chemical |
Abbreviated Journal |
Sensor Actuat B-Chem |
Volume |
231 |
Issue |
231 |
Pages |
491-496 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Nanocrystalline indium oxide films with extremely small grains in range of 7-40 nm are prepared by sol-gel method. The influence of grain size on the sensitivity of indium oxide to nitrogen dioxide in low concentration at room temperature is investigated under the UV illumination and without illumination. The sensitivity increases with the decrease of grain sizes when In2O3 is illuminated while in the dark In2O3 with intermediate grain size exhibits the highest response. An explanation of the different behavior of the In2O3 with different grain size sensitivity to NO2 under illumination and in the dark is proposed. We demonstrate that pulsed illumination may be used for NO2 detection at room temperature that significantly reduces the power consumption of sensor. (C) 2016 Elsevier B.V. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lausanne |
Editor |
|
Language |
|
Wos |
000374330900055 |
Publication Date |
2016-03-16 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0925-4005 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.401 |
Times cited |
27 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 5.401 |
Call Number |
UA @ lucian @ c:irua:133630 |
Serial |
4273 |
Permanent link to this record |
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Author |
Kontozova-Deutsch, V.; Deutsch, F.; Godoi, R.H.M.; Van Grieken, R.; De Wael, K. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Urban air pollutants and their micro effects on medieval stained glass windows |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Microchemical journal |
Abbreviated Journal |
Microchem J |
Volume |
99 |
Issue |
2 |
Pages |
508-513 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Levels of urban gaseous and particulate pollutants were investigated in the Cathedral of Cologne, Germany in the framework of the EU-project VIDRIO. The purpose of this study was to evaluate the influence of a protective double glazing system on the preservation of ancient stained glass windows by sampling at protected and unprotected windows (indoors, in the interspace and outdoor of the Cathedral). The interspace between the ancient stained glass window and the protective glazing is flushed in the Cathedral by indoor air, hence isolating the historic glass from the outdoor air and exposing it to indoor air on both sides of the glass panels. Concentrations of aggressive gaseous pollutants such as NO2, SO2, O3 and CO2 as well as elemental concentrations of bulk particles and relative abundances of single particles were surveyed at all sampling locations. Elemental concentrations in bulk particulate matter were found to be significantly lower inside the Cathedral in comparison to the outdoor air. This result is advantageous for the stained glass windows. Single particle analysis of the samples from Cologne showed also soil dust and organic particles as well as sulphates and nitrates, from which the latter two compounds are dangerous for the stained glass windows. On the base of the obtained results, it can be concluded that the protective glazing system in the Cathedral of Cologne can be considered as predominantly advantageous from both the gases' point of view (except for NO2-candles burning) and from the particles' point of view. |
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 |
000295770700053 |
Publication Date |
2011-07-23 |
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 |
|
ISSN |
0026-265x; 0026-265x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.034 |
Times cited |
6 |
Open Access |
|
Notes |
; This research was supported by the European Commission through the “VIDRIO-project”, contract no. EVK4-CT-2001-00045. Financial support is gratefully acknowledged. The authors acknowledge the assistance and advice during the experimental work given by the Dombauhutte team in Cologne, especially by Dr. Ulrike Brinkman and Gunter Hettinger. ; |
Approved |
Most recent IF: 3.034; 2011 IF: 3.048 |
Call Number |
UA @ admin @ c:irua:91078 |
Serial |
5889 |
Permanent link to this record |
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Author |
Marchetti, A.; Saniz, R.; Krishnan, D.; Rabbachin, L.; Nuyts, G.; De Meyer, S.; Verbeeck, J.; Janssens, K.; Pelosi, C.; Lamoen, D.; Partoens, B.; De Wael, K. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Unraveling the Role of Lattice Substitutions on the Stabilization of the Intrinsically Unstable Pb2Sb2O7Pyrochlore: Explaining the Lightfastness of Lead Pyroantimonate Artists’ Pigments |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Chemistry Of Materials |
Abbreviated Journal |
Chem Mater |
Volume |
32 |
Issue |
7 |
Pages |
2863-2873 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
Abstract |
The pyroantimonate pigments Naples yellow and lead tin antimonate yellow are recognized as some of the most stable synthetic yellow pigments in the history of art. However, this exceptional lightfastness is in contrast with experimental evidence suggesting that this class of mixed oxides is of semiconducting nature. In this study the electronic structure and light-induced behavior of the lead pyroantimonate pigments were determined by means of a combined multifaceted analytical and computational approach (photoelectrochemical measurements, UV-vis diffuse reflectance spectroscopy, STEM-EDS, STEM-HAADF, and density functional theory calculations). The results demonstrate both the semiconducting nature and the lightfastness of these pigments. Poor optical absorption and minority carrier mobility are the main properties responsible for the observed stability. In addition, novel fundamental insights into the role played by Na atoms in the stabilization of the otherwise intrinsically unstable Pb2Sb2O7 pyrochlore were obtained. |
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 |
000526394000016 |
Publication Date |
2020-04-14 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
0897-4756 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.6 |
Times cited |
8 |
Open Access |
OpenAccess |
Notes |
Universiteit Antwerpen; Belgian Federal Science Policy Office; |
Approved |
Most recent IF: 8.6; 2020 IF: 9.466 |
Call Number |
EMAT @ emat @c:irua:168819 |
Serial |
6363 |
Permanent link to this record |
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|
Author |
Ayalew, E.; Janssens, K.; De Wael, K. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Unraveling the reactivity of minium towards bicarbonate and the role of lead oxides therein |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
Volume |
88 |
Issue |
3 |
Pages |
1564-1569 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Understanding the reactivity of (semiconductor) pigments provides vital information on how to improve conservation strategies for works of art in order to avoid rapid degradation of the pigments. This study focuses on the photoactivity of minium (Pb3O4), a semiconductor pigment, that gives rise to strong discoloration phenomena upon exposure to various environmental conditions. To demonstrate its photoactivity, an electrochemical setup with minium-modified graphite electrode (C|Pb3O4) was used. It is confirmed that minium is a p-type semiconductor which is photoactive during illumination and becomes inactive in the dark. Raman measurements confirm the formation of the degradation products. The photoactivity of a semiconductor pigment is partly defined by the presence of lead oxide (PbO) impurities; these introduce new states in the original band gap. It will be experi-mentally evidenced that the presence of PbO particles in minium leads to an upward shift of the valence band that reduces the band gap. Thus, upon photoexcitation, the electron/hole separation is more easily initialized. The PbO/Pb3O4 composite electrodes demonstrate a higher reductive photocurrent compared to the photocurrent registered at pure PbO or Pb3O4 modified electrodes. Upon exposure to light with energy close to and above the band gap, electrons are excited from the valence band to the conduction band to initialize the reduction of Pb(IV) to Pb(II), resulting in the initial formation of PbO. However in the presence of bicarbonate ions, a significantly higher photoreduction current is recorded since the PbO reacts further to form hydrocerussite. Therefore the presence of bicarbonates in the environment stimulates the photodecomposition process of minium and plays an important role in the degradation process. |
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 |
000369471100014 |
Publication Date |
2015-12-31 |
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 |
|
ISSN |
0003-2700; 5206-882x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.32 |
Times cited |
9 |
Open Access |
|
Notes |
; The authors acknowledge Sanne Aerts from the Laboratory of Adsorption and Catalysis (LADCA) of the University of Antwerp for her help with the UV-vis-DR. Financial support from the SOLARPAINT BOF-GOA project (University of Antwerp Research Council) is acknowledged. The authors are also indebted to F. Vanmeert for performing the XRD measurements. ; |
Approved |
Most recent IF: 6.32 |
Call Number |
UA @ admin @ c:irua:129963 |
Serial |
5888 |
Permanent link to this record |
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Author |
De Jong, M.; Sleegers, N.; Florea, A.; Van Loon, J.; van Nuijs, A.L.N.; Samyn, N.; De Wael, K. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Unraveling the mechanisms behind the complete suppression of cocaine electrochemical signals by chlorpromazine, promethazine, procaine, and dextromethorphan |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
Volume |
91 |
Issue |
24 |
Pages |
15453-15460 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre; Product development |
Abstract |
The present work investigates the challenges accompanied by the electrochemical cocaine detection in physiological conditions (pH 7) in the presence of chlorpromazine, promethazine, procaine, and dextromethorphan, frequently used cutting agents in cocaine street samples. The problem translates into the absence of the cocaine oxidation signal (signal suppression) when in a mixture with one of these compounds, leading to false negative results. Although a solution to this problem was provided through earlier experiments of our group, the mechanisms behind the suppression are now fundamentally investigated via electrochemical and liquid chromatography quadrupole-time-of-flight mass spectrometry (LC-QTOF-MS) strategies. The latter was used to confirm the passivation of the electrodes due to their interaction with promethazine and chlorpromazine. Electron transfer mechanisms were further identified via linear sweep voltammetry. Next, adsorption experiments were performed on the graphite screen printed electrodes both with and without potential assistance in order to confirm if the suppression of the cocaine signals is due to passivation induced by the cutting agents or their oxidized products. The proposed strategies allowed us to identify the mechanisms of cocaine suppression for each cutting agent mentioned. Suppression due to procaine and dextromethorphan is caused by fouling of the electrode surface by their oxidized forms, while for chlorpromazine and promethazine the suppression of the cocaine signal is related to the strong adsorption of these (nonoxidized) cutting agents onto the graphite electrode surface. These findings provide fundamental insights in possible suppression and other interfering mechanisms using electrochemistry in general not only in the drug detection sector. |
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 |
000503910600018 |
Publication Date |
2019-11-14 |
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 |
|
ISSN |
0003-2700; 5206-882x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.32 |
Times cited |
|
Open Access |
|
Notes |
; The authors acknowledge financial support from IOF-SBO/POC (UAntwerp) and the Fund for Scientific Research (FWO) Flanders, Grant 1S 37658 17N. ; |
Approved |
Most recent IF: 6.32 |
Call Number |
UA @ admin @ c:irua:165727 |
Serial |
5887 |
Permanent link to this record |
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Author |
Dillen, A.; Vandezande, W.; Daems, D.; Lammertyn, J. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Unraveling the effect of the aptamer complementary element on the performance of duplexed aptamers : a thermodynamic study |
Type |
A1 Journal article |
Year |
2021 |
Publication |
Analytical And Bioanalytical Chemistry |
Abbreviated Journal |
Anal Bioanal Chem |
Volume |
413 |
Issue |
19 |
Pages |
4739-4750 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Duplexed aptamers (DAs) are widespread aptasensor formats that simultaneously recognize and signal the concentration of target molecules. They are composed of an aptamer and aptamer complementary element (ACE) which consists of a short oligonucleotide that partially inhibits the aptamer sequence. Although the design principles to engineer DAs are straightforward, the tailored development of DAs for a particular target is currently based on trial and error due to limited knowledge of how the ACE sequence affects the final performance of DA biosensors. Therefore, we have established a thermodynamic model describing the influence of the ACE on the performance of DAs applied in equilibrium assays and demonstrated that this relationship can be described by the binding strength between the aptamer and ACE. To validate our theoretical findings, the model was applied to the 29-mer anti-thrombin aptamer as a case study, and an experimental relation between the aptamer-ACE binding strength and performance of DAs was established. The obtained results indicated that our proposed model could accurately describe the effect of the ACE sequence on the performance of the established DAs for thrombin detection, applied for equilibrium assays. Furthermore, to characterize the binding strength between the aptamer and ACEs evaluated in this work, a set of fitting equations was derived which enables thermodynamic characterization of DNA-based interactions through thermal denaturation experiments, thereby overcoming the limitations of current predictive software and chemical denaturation experiments. Altogether, this work encourages the development, characterization, and use of DAs in the field of biosensing. |
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 |
000659366300001 |
Publication Date |
2021-06-10 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
ISSN |
1618-2642; 1618-2650 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.431 |
Times cited |
|
Open Access |
Not_Open_Access |
Notes |
|
Approved |
Most recent IF: 3.431 |
Call Number |
UA @ admin @ c:irua:179163 |
Serial |
8713 |
Permanent link to this record |