| |
Records |
|
Author |
Hadermann, J.; Abakumov, A.; Van Rompaey, S.; Perkisas, T.; Filinchuk, Y.; Van Tendeloo, G. |
| |
Title  |
Crystal structure of a lightweight borohydride from submicrometer crystallites by precession electron diffraction |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| |
Volume |
24 |
Issue |
17 |
Pages |
3401-3405 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
We demonstrate that precession electron diffraction at low-dose conditions can be successfully applied for structure analysis of extremely electron-beam-sensitive materials. Using LiBH4 as a test material, complete structural information, including the location of the H atoms, was obtained from submicrometer-sized crystallites. This demonstrates for the first time that, where conventional transmission electron microscopy techniques fail, quantitative precession electron diffraction can provide structural information from submicrometer particles of such extremely electron-beam-sensitive materials as complex lightweight hydrides. We expect the precession electron diffraction technique to be a useful tool for nanoscale investigations of thermally unstable lightweight hydrogen-storage materials. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| |
Language |
|
Wos |
000308833400012 |
Publication Date |
2012-08-01 |
| |
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 |
17 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 9.466; 2012 IF: 8.238 |
| |
Call Number |
UA @ lucian @ c:irua:101845 |
Serial |
567 |
| Permanent link to this record |
| |
|
| |
|
Author |
Chernaya, V.V.; Tsirlin, A.A.; Shpanchenko, R.V.; Antipov, E.V.; Gippius, A.A.; Morozova, E.N.; Dyakov, V.; Hadermann, J.; Kaul, E.E.; Geibel, C. |
| |
Title |
Crystal structure and properties of the new vanadyl(IV)phosphates Na2MVO(PO4)2 M=Ca and Sr |
Type |
A1 Journal article |
| |
Year |
2004 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| |
Volume |
177 |
Issue |
|
Pages |
2875-2880 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
London |
Editor |
|
| |
Language |
|
Wos |
000223145500033 |
Publication Date |
2004-08-04 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
2.299 |
Times cited |
6 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 2.299; 2004 IF: 1.815 |
| |
Call Number |
UA @ lucian @ c:irua:47317 |
Serial |
565 |
| Permanent link to this record |
| |
|
| |
|
Author |
Panin, R.V.; Khasanova, N.R.; Abakumov, A.M.; Schnelle, W.; Hadermann, J.; Antipov, E.V. |
| |
Title |
Crystal structure and properties of the Na1-xRu2O4 phase |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Russian chemical bulletin |
Abbreviated Journal |
Russ Chem B+ |
| |
Volume |
55 |
Issue |
10 |
Pages |
1717-1722 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000245091400003 |
Publication Date |
2007-03-07 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1066-5285;1573-9171; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
0.529 |
Times cited |
5 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 0.529; 2006 IF: 0.505 |
| |
Call Number |
UA @ lucian @ c:irua:63810 |
Serial |
566 |
| Permanent link to this record |
| |
|
| |
|
Author |
Bune, R.O.; Lobanov, M.V.; Popov, G.; Greenblatt, M.; Botez, C.E.; Stephens, P.W.; Croft, M.; Hadermann, J.; Van Tendeloo, G. |
| |
Title |
Crystal structure and properties of Ru-stoichiometric LaSrMnRuO6 |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| |
Volume |
18 |
Issue |
10 |
Pages |
2611-2617 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| |
Language |
|
Wos |
000237593400022 |
Publication Date |
2006-05-09 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
9.466 |
Times cited |
17 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 9.466; 2006 IF: 5.104 |
| |
Call Number |
UA @ lucian @ c:irua:59441 |
Serial |
563 |
| Permanent link to this record |
| |
|
| |
|
Author |
King, G.; Abakumov, A.M.; Hadermann, J.; Alekseeva, A.M.; Rozova, M.G.; Perkisas, T.; Woodward, P.M.; Van Tendeloo, G.; Antipov, E.V. |
| |
Title |
Crystal structure and phase transitions in Sr3WO6 |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
| |
Volume |
49 |
Issue |
13 |
Pages |
6058-6065 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
The crystal structures of the beta and gamma polymorphs of Sr3WO6 and the gamma <->beta phase transition have been investigated using electron diffraction, synchrotron X-ray powder diffraction, and neutron powder diffraction. The gamma-Sr3WO6 polymorph is stable above T-c approximate to 470 K and adopts a monoclinically distorted double perovskite A(2)BB'O-6= Sr2SrWO6 structure (space group Cc, a = 10.2363(1)angstrom, b= 17.9007(1)angstrom, c= 11.9717(1)angstrom, beta=125.585(1)degrees at T= 1373 K, Z=12, corresponding to a = a(p)+1/2b(p) – 1/2c(p), b =3/2b(p) + 3/2c(p), c =-b(p) + c(p), a(p),b(p), c(p), lattice vectors of the parent Fm (3) over barm double perovskite structure). Upon cooling it undergoes a continuous phase transition into the triclinically distorted beta-Sr3WO6 phase (space group Cl, a = 10.09497(3)angstrom, b = 17.64748(5)angstrom, c = 11.81400(3)angstrom, alpha = 89.5470(2)degrees, beta= 125.4529(2)degrees, gamma =90.2889(2)degrees at T= 300 K). Both crystal structures of Sr3WO6 belong to a family of double perovskites with broken corner sharing connectivity of the octahedral framework. A remarkable feature of the gamma-Sr3WO6 structure is a non-cooperative rotation of the WO6 octahedra. One third of the WO6 octahedra are rotated by 45 about either the bp or the cp axis of the parent double perovskite structure. As a result, the WO6 octahedra do not share corners but instead share edges with the coordination polyhedra of the Sr cations at the B positions increasing their coordination number from 6 to 7 or 8. The crystal structure of the beta-phase is very close to the structure of the gamma-phase; decreasing symmetry upon the gamma ->beta transformation occurs because of unequal octahedral rotation angles about the bp and cp axes and increasing distortions of the WO6 octahedra. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Easton, Pa |
Editor |
|
| |
Language |
|
Wos |
000279211500036 |
Publication Date |
2010-06-09 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0020-1669;1520-510X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
4.857 |
Times cited |
18 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 4.857; 2010 IF: 4.326 |
| |
Call Number |
UA @ lucian @ c:irua:83877 |
Serial |
562 |
| Permanent link to this record |
| |
|
| |
|
Author |
Shpanchenko, R.V.; Chyornaya, V.V.; Abakumov, A.M.; Antipov, E.V.; Hadermann, J.; Van Tendeloo, G.; Kaul, E.; Geibel, C.; Sheptyakov, D.; Balagurov, A.M. |
| |
Title |
Crystal structure and magnetic properties of novel reduced V(IV)-based oxide Pb2V5O12 |
Type |
A1 Journal article |
| |
Year |
2001 |
Publication |
Zeitschrift für anorganische und allgemeine Chemie |
Abbreviated Journal |
Z Anorg Allg Chem |
| |
Volume |
627 |
Issue |
|
Pages |
2143-2150 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Leipzig |
Editor |
|
| |
Language |
|
Wos |
000171339000023 |
Publication Date |
2002-08-25 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0044-2313;1521-3749; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.144 |
Times cited |
4 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 1.144; 2001 IF: 1.165 |
| |
Call Number |
UA @ lucian @ c:irua:36048 |
Serial |
560 |
| Permanent link to this record |
| |
|
| |
|
Author |
Tarakina, N.V.; Nikulina, E.A.; Hadermann, J.; Kellerman, D.G.; Tyutunnik, A.P.; Berger, I.F.; Zubkov, V.G.; Van Tendeloo, G. |
| |
Title |
Crystal structure and magnetic properties of complex oxides Mg4-xNixO9, 0\leq x\leq4 |
Type |
A1 Journal article |
| |
Year |
2007 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| |
Volume |
180 |
Issue |
11 |
Pages |
3180-3187 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
In the Mg4−xNixNb2O9 (0x4) system two ranges of solid solution have been found. One of the solid solutions has a corundum-related structure type (space group ); the second one adopts the II-Ni4Nb2O9 structure type (space group Pbcn). The unit cell constants and atomic positions have been determined and refined using neutron powder diffraction data. Electron diffraction and high-resolution transmission electron microscopy (HRTEM) from MgNi3Nb2O9 crystals identify the presence of planar defects and the intergrowth of several (structurally related) phases. The magnetic susceptibility of Mg3NiNb2O9, measured in the temperature range T=2300 K, shows no indications of magnetic ordering at low temperatures, while for MgNi3Nb2O9 there is a magnetic ordering at temperatures below 45.5 K. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
London |
Editor |
|
| |
Language |
|
Wos |
000260636200025 |
Publication Date |
2007-09-15 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
2.299 |
Times cited |
3 |
Open Access |
|
| |
Notes |
Belgium Science Policy |
Approved |
Most recent IF: 2.299; 2007 IF: 2.149 |
| |
Call Number |
UA @ lucian @ c:irua:72944 |
Serial |
559 |
| Permanent link to this record |
| |
|
| |
|
Author |
Morozov, V.A.; Raskina, M.V.; Lazoryak, B.I.; Meert, K.W.; Korthout, K.; Smet, P.F.; Poelman, D.; Gauquelin, N.; Verbeeck, J.; Abakumov, A.M.; Hadermann, J.; |
| |
Title |
Crystal Structure and Luminescent Properties of R2-xEux(MoO4)(3) (R = Gd, Sm) Red Phosphors |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| |
Volume |
26 |
Issue |
24 |
Pages |
7124-7136 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
The R-2(MoO4)(3) (R = rare earth elements) molybdates doped with Eu3+ cations are interesting red-emitting materials for display and solid-state lighting applications. The structure and luminescent properties of the R2-xEux(MoO4)(3) (R = Gd, Sm) solid solutions have been investigated as a function of chemical composition and preparation conditions. Monoclinic (alpha) and orthorhombic (beta') R2-xEux(MoO4)(3) (R = Gd, Sm; 0 <= x <= 2) modifications were prepared by solid-state reaction, and their structures were investigated using synchrotron powder X-ray diffraction and transmission electron microscopy. The pure orthorhombic beta'-phases could be synthesized only by quenching from high temperature to room temperature for Gd2-xEux(MoO4)(3) in the Eu3+-rich part (x > 1) and for all Sm2-xEux(MoO4)(3) solid solutions. The transformation from the alpha-phase to the beta'-phase results in a notable increase (similar to 24%) of the unit cell volume for all R2-xEux(MoO4)(3) (R = Sm, Gd) solid solutions. The luminescent properties of all R2-xEux(MoO4)(3) (R = Gd, Sm; 0 <= x <= 2) solid solutions were measured, and their optical properties were related to their structural properties. All R2-xEux(MoO4)(3) (R = Gd, Sm; 0 <= x <= 2) phosphors emit intense red light dominated by the D-5(0)-> F-7(2) transition at similar to 616 nm. However, a change in the multiplet splitting is observed when switching from the monoclinic to the orthorhombic structure, as a consequence of the change in coordination polyhedron of the luminescent ion from RO8 to RO7 for the alpha- and beta'-modification, respectively. The Gd2-xEux(MoO4)(3) solid solutions are the most efficient emitters in the range of 0 < x < 1.5, but their emission intensity is comparable to or even significantly lower than that of Sm2-xEux(MoO4)(3) for higher Eu3+ concentrations (1.5 <= x <= 1.75). Electron energy loss spectroscopy (EELS) measurements revealed the influence of the structure and element content on the number and positions of bands in the ultraviolet-visible-infrared regions of the EELS spectrum. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000347139700027 |
Publication Date |
2014-11-27 |
| |
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 |
24 |
Open Access |
|
| |
Notes |
Fwo G039211n; G004413n; 278510 Vortex ECASJO_; |
Approved |
Most recent IF: 9.466; 2014 IF: 8.354 |
| |
Call Number |
UA @ lucian @ c:irua:122829UA @ admin @ c:irua:122829 |
Serial |
558 |
| Permanent link to this record |
| |
|
| |
|
Author |
Verchenko, V.Y.; Wei, Z.; Tsirlin, A.A.; Callaert, C.; Jesche, A.; Hadermann, J.; Dikarev, E.V.; Shevelkov, A.V. |
| |
Title |
Crystal growth of the Nowotny chimney ladder phase Fe2Ge3 : exploring new Fe-based narrow-gap semiconductor with promising thermoelectric performance |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| |
Volume |
29 |
Issue |
23 |
Pages |
9954-9963 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
<script type='text/javascript'>document.write(unpmarked('A new synthetic approach based on chemical transport reactions has been introduced to obtain the Nowotny chimney ladder phase Fe2Ge3 in the form of single crystals and polycrystalline powders. The single crystals possess the stoichiometric composition and the commensurate chimney ladder structure of the Ru2Sn3 type in contrast to the polycrystalline samples that are characterized by a complex microstructure. In compliance with the 18-n electron counting rule formulated for T-E intermetallics, electronic structure calculations reveal a narrow-gap semiconducting behavior of Fe2Ge3 favorable for high thermoelectric performance. Measurements of transport and thermoelectric properties performed on the polycrystalline samples confirm the formation of a narrow band gap of similar to 30 meV and reveal high absolute values of the Seebeck coefficient at elevated temperatures. Low glass-like thermal conductivity is observed in a wide temperature range that might be caused by the underlying complex microstructure.')); |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
American Chemical Society |
Place of Publication |
Washington, D.C |
Editor |
|
| |
Language |
|
Wos |
000418206600013 |
Publication Date |
2017-11-14 |
| |
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 |
11 |
Open Access |
OpenAccess |
| |
Notes |
; The authors thank Dr. Sergey Kazakov and Oleg Tyablikov for their help with the PXRD experiments. V.Y.V. appreciates the help of Dr. Sergey Dorofeev in provision and handling of the Mo(CO)<INF>6</INF> reagent. The work is supported by the Russian Science Foundation, Grant No. 17-13-01033. V.Y.V. appreciates the support from the European Regional Development Fund, Project No. TK134. A.A.T. acknowledges financial support by the Federal Ministry for Education and Research under the Sofia Kovalevskaya Award of the Alexander von Humboldt Foundation. E.V.D. thanks the National Science Foundation, Grant No. CHE-1152441. C.C. acknowledges the support from the University of Antwerp through the BOF Grant No. 31445. ; |
Approved |
Most recent IF: 9.466 |
| |
Call Number |
UA @ lucian @ c:irua:148531 |
Serial |
4869 |
| Permanent link to this record |
| |
|
| |
|
Author |
Abeysinghe, D.; Smith, M.D.; Yeon, J.; Tran, T.T.; Sena, R.P.; Hadermann, J.; Halasyamani, P.S.; zur Loye, H.-C. |
| |
Title |
Crystal growth and structure analysis of Ce-18-W-10-O-57 : a complex oxide containing tungsten in an unusual trigonal prismatic coordination environment |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
| |
Volume |
56 |
Issue |
5 |
Pages |
2566-2575 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
The noncentrosymmetric tungstate oxide, Ce18W10O57) was synthesized for the first time as high-quality single crystals via the molten chloride flux method and structurally characterized by single-crystal X-ray diffraction. The compound is a structural analogue to the previously reported La18W10O57, which crystallizes in the hexagonal space group P (6) over bar 2c. The +3 oxidation state of cerium in Ce18W10O57 was achieved via the in situ reduction of Ce(IV) to Ce(III) using Zn metal. The structure consists of both isolated and face-shared WO6 octahedra and, surprisingly, isolated WO6 trigonal prisms. A careful analysis of the packing arrangement in the structure makes it possible to explain the unusual structural architecture of Ce18W10O57, which is described in detail. The temperature-dependent magnetic susceptibility of Ce18W10O57 indicates that the cerium(III) f(1) cations do not order magnetically and exhibit simple paramagnetic behavior. The SHG efficiency of Ln(18)W(10)O(57) (Ln = La, Ce) was measured as a function of particle size, and both compounds were found to be SHG active with efficiency approximately equal to that of alpha-SiO2. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Easton, Pa |
Editor |
|
| |
Language |
|
Wos |
000395847300026 |
Publication Date |
2017-02-15 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0020-1669 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
4.857 |
Times cited |
9 |
Open Access |
Not_Open_Access |
| |
Notes |
; Financial support for this work was provided by the National Science Foundation under DMR-1301757 and is gratefully acknowledged. T.T.T. and P.S.H. thank the Welch Foundation (Grant E-1457) and NSF-DMR-1503573. ; |
Approved |
Most recent IF: 4.857 |
| |
Call Number |
UA @ lucian @ c:irua:142449 |
Serial |
4643 |
| Permanent link to this record |
| |
|
| |
|
Author |
Lamoen, D.; Michel, K.H. |
| |
Title |
Crystal field, orientational order, and lattice contraction in solid C60 |
Type |
A1 Journal article |
| |
Year |
1994 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
| |
Volume |
101 |
Issue |
|
Pages |
1435-1443 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
A model of the intermolecular potential in solid C-60, which is based on Born-Mayer repulsions, van der Waals attractions, and electrostatic multipoles, is presented. The potential is expanded in terms of multipolar rotator functions. The orientation-orientation interaction and the crystal field are calculated. The orientational phase transition to the Pa3 phase is studied with the methods of statistical mechanics. The discontinuity of the order parameter at the transition and the temperature evolution of the order parameter are calculated. The lattice contraction at the phase transition is evaluated. The influence of the lattice contraction on the crystal field and on the orientational order is studied. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
| |
Language |
|
Wos |
A1994NW97900058 |
Publication Date |
2002-07-26 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0021-9606; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
2.952 |
Times cited |
39 |
Open Access |
|
| |
Notes |
|
Approved |
CHEMISTRY, PHYSICAL 54/144 Q2 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 9/35 Q2 # |
| |
Call Number |
UA @ lucian @ c:irua:9361 |
Serial |
554 |
| Permanent link to this record |
| |
|
| |
|
Author |
Perreault, P.; Van Hoecke, L.; Pourfallah, H.; Kummamuru, N.B.; Boruntea, C.-R.; Preuster, P. |
| |
Title |
Critical challenges towards the commercial rollouts of a LOHC-based H2 economy |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Current opinion in green and sustainable chemistry |
Abbreviated Journal |
|
| |
Volume |
41 |
Issue |
|
Pages |
100836-100838 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| |
Abstract |
This short review discusses recent developments related to the storage and release of hydrogen from liquid organic hydrogen carriers (LOHCs). It focusses on three areas of recent literature: the application and development of novel, alternative LOHC systems, process development and process integration in the storage and release of hydrogen from LOHCs, and the electrochemical conversion of LOHCs. For the novel LOHC systems, we briefly focus on reaction enthalpy and storage capacity as main KPIs for the comparison of those systems and discuss the technical availability on a relevant scale. In the field of process- and reactor development our emphasis lies on the power density of the chemical conversion units. The LOHC technology still requires further development to reach the necessary energy efficiency, flexibility and overall research maturity for market competitivity and commercial impact. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
001019180100001 |
Publication Date |
2023-05-18 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
2452-2236 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
9.3 |
Times cited |
|
Open Access |
OpenAccess |
| |
Notes |
|
Approved |
Most recent IF: 9.3; 2023 IF: NA |
| |
Call Number |
UA @ admin @ c:irua:196520 |
Serial |
8845 |
| Permanent link to this record |
| |
|
| |
|
Author |
Boulay, E.; Nakano, J.; Turner, S.; Idrissi, H.; Schryvers, D.; Godet, S. |
| |
Title |
Critical assessments and thermodynamic modeling of BaO-SiO2 and SiO2-TiO2 systems and their extensions into liquid immiscibility in the BaO-SiO2-TiO2 system |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Calphad computer coupling of phase diagrams and thermochemistry |
Abbreviated Journal |
Calphad |
| |
Volume |
47 |
Issue |
|
Pages |
68-82 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
This study discusses rational reproduction of liquid immiscibility in the BaO-SiO2-TiO2 system. While a ternary assessment requires sub-binary descriptions in the same thermodynamic model, the related sub-binary systems BaO-SiO2, BaO-TiO2 and SiO2-TiO2 liquid and solid phases have been evaluated using different thermodynamic models in the literature. In this study, BaO-SiO2 and SiO2-TiO2 were assessed using the Ionic Two Sublattice model (I2SL) based on experimental data from the literature. BaO-TiO2 was already assessed using this model. Binary descriptions developed were then used for the assessment of liquid immiscibility in the BaO-SiO2-TiO2 system. Ternary interaction parameters were found necessary for rational reproduction of the new ternary experimental data gathered in the present work. The model parameters for each system were evaluated using a CAPLHAD approach. A set of parameters is proposed. They show good agreement between the calculated and experimental equilibrium liquidus, liquid immiscibility and thermochemical properties in the BaO-SiO2-TiO2 system. (C) 2014 Elsevier Ltd. All rights reserved. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| |
Language |
|
Wos |
000346224700008 |
Publication Date |
2014-07-05 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0364-5916; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.6 |
Times cited |
9 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 1.6; 2014 IF: 1.370 |
| |
Call Number |
UA @ lucian @ c:irua:122776 |
Serial |
540 |
| Permanent link to this record |
| |
|
| |
|
Author |
Feng, X.; Jena, H.S.; Krishnaraj, C.; Arenas-Esteban, D.; Leus, K.; Wang, G.; Sun, J.; Rüscher, M.; Timoshenko, J.; Roldan Cuenya, B.; Bals, S.; Voort, P.V.D. |
| |
Title |
Creation of Exclusive Artificial Cluster Defects by Selective Metal Removal in the (Zn, Zr) Mixed-Metal UiO-66 |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Journal Of The American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
| |
Volume |
|
Issue |
|
Pages |
jacs.1c05357 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| |
Abstract |
The differentiation between missing linker defects
and missing cluster defects in MOFs is difficult, thereby limiting the
ability to correlate materials properties to a specific type of defects.
Herein, we present a novel and easy synthesis strategy for the
creation of solely “missing cluster defects” by preparing mixed-metal
(Zn, Zr)-UiO-66 followed by a gentle acid wash to remove the Zn
nodes. The resulting material has the reo UiO-66 structure, typical
for well-defined missing cluster defects. The missing clusters are
thoroughly characterized, including low-pressure Ar-sorption, iDPCSTEM
at a low dose (1.5 pA), and XANES/EXAFS analysis. We
show that the missing cluster UiO-66 has a negligible number of missing linkers. We show the performance of the missing cluster
UiO-66 in CO2 sorption and heterogeneous catalysis. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000730569500001 |
Publication Date |
2021-12-07 |
| |
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 |
29 |
Open Access |
OpenAccess |
| |
Notes |
Agentschap Innoveren en Ondernemen, HBC.2019.0110 HBC.2021.0254 ; Universiteit Gent; Fonds Wetenschappelijk Onderzoek, 665501 ; Dalian University of Technology; China Scholarship Council, 201507565009 ; National Natural Science Foundation of China, 22101039 ; H2020 European Research Council, 815128 REALNANO ; sygmaSB |
Approved |
Most recent IF: 13.858 |
| |
Call Number |
EMAT @ emat @c:irua:183951 |
Serial |
6833 |
| Permanent link to this record |
| |
|
| |
|
Author |
Nakazato, R.; Matsumoto, K.; Yamaguchi, N.; Cavallo, M.; Crocella, V.; Bonino, F.; Quintelier, M.; Hadermann, J.; Rosero-navarro, N.C.; Miura, A.; Tadanaga, K. |
| |
Title |
CO₂ electrochemical reduction with Zn-Al layered double hydroxide-loaded gas-diffusion electrode |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Electrochemistry |
Abbreviated Journal |
|
| |
Volume |
91 |
Issue |
9 |
Pages |
097003-97007 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
Carbon dioxide electrochemical reduction (CO2ER) has attracted considerable attention as a technology to recycle CO2 into raw materials for chemicals using renewable energies. We recently found that Zn-Al layered double hydroxides (Zn-Al LDH) have the CO-forming CO2ER activity. However, the activity was only evaluated by using the liquid-phase CO2ER. In this study, Ni-Al and Ni-Fe LDHs as well as Zn-Al LDH were synthesized using a facile coprecipitation process and the gas-phase CO2ER with the LDH-loaded gas-diffusion electrode (GDE) was examined. The products were characterized by XRD, STEM-EDX, BF-TEM and ATR-IR spectroscopy. In the ATR-IR results, the interaction of CO2 with Zn-Al LDH showed a different carbonates evolution with respect to other LDHs, suggesting a different electrocatalytic activity. The LDH-loaded GDE was prepared by simple drop-casting of a catalyst ink onto carbon paper. For gas-phase CO2ER, only Zn-Al LDH exhibited the CO2ER activity for carbon monoxide (CO) formation. By using different potassium salt electrolytes affording neutral to strongly basic conditions, such as KCl, KHCO3 and KOH, the gas-phase CO2ER with Zn-Al LDH-loaded GDE showed 1.3 to 2.1 times higher partial current density for CO formation than the liquid-phase CO2ER. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
001082818000001 |
Publication Date |
2023-09-08 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record |
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: NA |
| |
Call Number |
UA @ admin @ c:irua:200340 |
Serial |
9009 |
| Permanent link to this record |
| |
|
| |
|
Author |
De Bie, C.; van Dijk, J.; Bogaerts, A. |
| |
Title |
CO2Hydrogenation in a Dielectric Barrier Discharge Plasma Revealed |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
| |
Volume |
120 |
Issue |
120 |
Pages |
25210-25224 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| |
Abstract |
The hydrogenation of carbon dioxide in a dielectric barrier discharge plasma is studied with a one-dimensional fluid model. The spatially averaged densities of the most important end products formed in the CO2/H2 mixture are determined as a function of the initial gas mixing ratio. CO and H2O are found to be present at the highest densities and to a lower content also CH4, C2H6, CH2O, CH3OH, O2, and some other higher hydrocarbons and oxygenates. The main underlying reaction
pathways for the conversion of the inlet gases and the formation of CO, CH4, CH2O, and CH3OH are pointed out for various gas mixing ratios. The CO2 conversion and the production of value added products is found to be quite low, also in comparison to a CO2/CH4 mixture, and this can be explained by the model. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000387737900007 |
Publication Date |
2016-11-10 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1932-7447 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
4.536 |
Times cited |
16 |
Open Access |
|
| |
Notes |
Federaal Wetenschapsbeleid; Fonds Wetenschappelijk Onderzoek; |
Approved |
Most recent IF: 4.536 |
| |
Call Number |
PLASMANT @ plasmant @ c:irua:140082 c:irua:139167 |
Serial |
4414 |
| Permanent link to this record |
| |
|
| |
|
Author |
Trenchev, G.; Kolev, S.; Wang, W.; Ramakers, M.; Bogaerts, A. |
| |
Title |
CO2Conversion in a Gliding Arc Plasmatron: Multidimensional Modeling for Improved Efficiency |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
| |
Volume |
121 |
Issue |
44 |
Pages |
24470-24479 |
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| |
Abstract |
The gliding arc plasmatron (GAP) is a highly efficient atmospheric plasma source, which is very promising for CO2 conversion applications. To understand its operation principles and to improve its application, we present here comprehensive modeling results, obtained by means of computational fluid dynamics simulations and plasma modeling. Because of the complexity of the CO2 plasma, a full 3D plasma model would be computationally impractical. Therefore, we combine a 3D turbulent gas flow model with a 2D plasma and gas heating model in order to calculate the plasma parameters and CO2 conversion characteristics. In addition, a complete 3D gas flow and plasma model with simplified argon chemistry is used to evaluate the gliding arc evolution in space and time. The calculated values are compared with experimental data from literature as much as possible in order to validate the model. The insights obtained in this study are very helpful for improving the application of CO2 conversion, as they allow us to identify the limiting factors in the performance, based on which solutions can be provided on how to further improve the capabilities of CO2 conversion in the GAP. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000415140400014 |
Publication Date |
2017-11-09 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1932-7447 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
4.536 |
Times cited |
|
Open Access |
OpenAccess |
| |
Notes |
H2020 Marie Sklodowska-Curie Actions, 657304 ; Fonds Wetenschappelijk Onderzoek, 11U5316N G038316N ; |
Approved |
Most recent IF: 4.536 |
| |
Call Number |
PLASMANT @ plasmant @c:irua:147193 |
Serial |
4765 |
| Permanent link to this record |
| |
|
| |
|
Author |
Heijkers, S.; Bogaerts, A. |
| |
Title |
CO2Conversion in a Gliding Arc Plasmatron: Elucidating the Chemistry through Kinetic Modeling |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
| |
Volume |
121 |
Issue |
41 |
Pages |
22644-22655 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| |
Abstract |
By means of chemical kinetics modeling, it is possible to elucidate the main dissociation mechanisms of CO2 in a gliding arc plasmatron (GAP). We obtain good agreement between the calculated and experimental conversions and energy efficiencies, indicating that the model can indeed be used to study the underlying mechanisms. The calculations predict that vibration-induced dissociation is the main dissociation mechanism of CO2, but it occurs mainly from the lowest vibrational levels because of fast thermalization of the vibrational distribution. Based on these findings, we propose ideas for improving the performance of the GAP, but testing of these ideas in the simulations reveals that they do not always lead to significant enhancement, because of other side effects, thus illustrating the complexity of the process. Nevertheless, the model allows more insight into the underlying mechanisms to be obtained and limitations to be identified. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000413617900007 |
Publication Date |
2017-10-19 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1932-7447 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
4.536 |
Times cited |
6 |
Open Access |
OpenAccess |
| |
Notes |
Federaal Wetenschapsbeleid, IAP/7 ; Fonds Wetenschappelijk Onderzoek, G.0383.16N ; |
Approved |
Most recent IF: 4.536 |
| |
Call Number |
PLASMANT @ plasmant @c:irua:147436 |
Serial |
4801 |
| Permanent link to this record |
| |
|
| |
|
Author |
Slaets, J.; Aghaei, M.; Ceulemans, S.; Van Alphen, S.; Bogaerts, A. |
| |
Title |
CO2and CH4conversion in “real” gas mixtures in a gliding arc plasmatron: how do N2and O2affect the performance? |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Green Chemistry |
Abbreviated Journal |
Green Chem |
| |
Volume |
22 |
Issue |
4 |
Pages |
1366-1377 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| |
Abstract |
In this paper we study dry reforming of methane (DRM) in a gliding arc plasmatron (GAP) in the presence of N<sub>2</sub>and O<sub>2</sub>. N<sub>2</sub>is added to create a stable plasma at equal fractions of CO<sub>2</sub>and CH<sub>4</sub>, and because emissions from industrial plants typically contain N<sub>2</sub>, while O<sub>2</sub>is added to enhance the process. We test different gas mixing ratios to evaluate the conversion and energy cost. We obtain conversions between 31 and 52% for CO<sub>2</sub>and between 55 and 99% for CH<sub>4</sub>, with total energy costs between 3.4 and 5.0 eV per molecule, depending on the gas mixture. This is very competitive when benchmarked with the literature. In addition, we present a chemical kinetics model to obtain deeper insight in the underlying plasma chemistry. This allows determination of the major reaction pathways to convert CO<sub>2</sub>and CH<sub>4</sub>, in the presence of O<sub>2</sub>and N<sub>2</sub>, into CO and H<sub>2</sub>. We show that N<sub>2</sub>assists in the CO<sub>2</sub>conversion, but part of the applied energy is also wasted in N<sub>2</sub>excitation. Adding O<sub>2</sub>enhances the CH<sub>4</sub>conversion, and lowers the energy cost, while the CO<sub>2</sub>conversion remains constant, and only slightly drops at the highest O<sub>2</sub>fractions studied, when CH<sub>4</sub>is fully oxidized into CO<sub>2</sub>. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000518034000032 |
Publication Date |
2020-01-30 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1463-9262 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
9.8 |
Times cited |
|
Open Access |
OpenAccess |
| |
Notes |
H2020 European Research Council, 810182 ; Fonds Wetenschappelijk Onderzoek, GoF9618n 12M7118N ; We acknowledge financial support from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No 810182 – SCOPE ERC Synergy project), the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023), and the FWO postdoctoral fellowship of M. A. (Grant number 12M7118N). This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. |
Approved |
Most recent IF: 9.8; 2020 IF: 9.125 |
| |
Call Number |
PLASMANT @ plasmant @c:irua:167136 |
Serial |
6339 |
| Permanent link to this record |
| |
|
| |
|
Author |
Heijkers, S.; Snoeckx, R.; Kozák, T.; Silva, T.; Godfroid, T.; Britun, N.; Snyders, R.; Bogaerts, A. |
| |
Title |
CO2 conversion in a microwave plasma reactor in the presence of N2 : elucidating the role of vibrational levels |
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 |
12815-12828 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| |
Abstract |
A chemical kinetics model is developed for a CO2/N2 microwave plasma, focusing especially on the vibrational levels of both CO2 and N2. The model is used to calculate the CO2 and N2 conversion as well as the energy efficiency of CO2 conversion for different power densities and for N2 fractions in the CO2/N2 gas mixture ranging from 0 to 90%. The calculation results are compared with measurements, and agreements within 23% and 33% are generally found for the CO2 conversion and N2 conversion, respectively. To explain the observed trends, the destruction and formation processes of both CO2 and N2 are analyzed, as well as the vibrational distribution functions of both CO2 and N2. The results indicate that N2 contributes in populating the lower asymmetric levels of CO2, leading to a higher absolute CO2 conversion upon increasing N2 fraction. However, the effective CO2 conversion drops because there is less CO2 initially present in the gas mixture; thus, the energy efficiency also drops with rising N2 fraction. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| |
Language |
|
Wos |
000356317500005 |
Publication Date |
2015-05-13 |
| |
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 |
56 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 4.536; 2015 IF: 4.772 |
| |
Call Number |
c:irua:126325 |
Serial |
3523 |
| Permanent link to this record |
| |
|
| |
|
Author |
Jafarzadeh, A.; Bal, K.M.; Bogaerts, A.; Neyts, E.C. |
| |
Title |
CO2 activation on TiO2-supported Cu5 and Ni5 nanoclusters : effect of plasma-induced surface charging |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
| |
Volume |
123 |
Issue |
11 |
Pages |
6516-6525 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| |
Abstract |
Surface charging is an often overlooked factor in many plasma-surface interactions and in particular in plasma catalysis. In this study, we investigate the effect of excess electrons induced by a plasma on the adsorption properties of CO2 on titania-supported Cu-5 and Ni-5 clusters using spin-polarized and dispersion-corrected density functional theory calculations. The effect of excess electrons on the adsorption of Ni and Cu pentamers as well as on CO2 adsorption on a pristine anatase TiO2(101) slab is studied. Our results indicate that adding plasma-induced excess electrons to the system leads to further stabilization of the bent CO2 structure. Also, dissociation of CO2 on charged clusters is energetically more favorable than on neutral clusters. We hypothesize that surface charge is a plausible cause for the synergistic effects sometimes observed in plasma catalysis. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000462260700024 |
Publication Date |
2019-02-21 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1932-7447; 1932-7455 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
4.536 |
Times cited |
4 |
Open Access |
OpenAccess |
| |
Notes |
|
Approved |
Most recent IF: 4.536 |
| |
Call Number |
UA @ admin @ c:irua:159422 |
Serial |
5281 |
| Permanent link to this record |
| |
|
| |
|
Author |
Moro, G.; Bottari, F.; Liberi, S.; Covaceuszach, S.; Cassetta, A.; Angelini, A.; De Wael, K.; Moretto, L.M. |
| |
Title |
Covalent immobilization of delipidated human serum albumin on poly(pyrrole-2-carboxylic) acid film for the impedimetric detection of perfluorooctanoic acid |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Bioelectrochemistry |
Abbreviated Journal |
Bioelectrochemistry |
| |
Volume |
134 |
Issue |
|
Pages |
107540 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| |
Abstract |
The immobilization of biomolecules at screen printed electrodes for biosensing applications is still an open challenge. To enrich the toolbox of bioelectrochemists, graphite screen printed electrodes (G-SPE) were modified with an electropolymerized film of pyrrole-2-carboxilic acid (Py-2-COOH), a pyrrole derivative rich in carboxylic acid functional groups. These functionalities are suitable for the covalent immobilization of biomolecular recognition layers. The electropolymerization was first optimized to obtain stable and conductive polymeric films, comparing two different electrolytes: sodium dodecyl sulphate (SDS) and sodium perchlorate. The G-SPE modified with Py-2-COOH in 0.1 M SDS solution showed the required properties and were further tested. A proof-of-concept study for the development of an impedimetric sensor for perfluorooctanoic acid (PFOA) was carried out using the delipidated human serum albumin (hSA) as bioreceptor. The data interpretation was supported by size exclusion chromatography and small-angle X-ray scattering (SEC-SAXS) analysis of the bioreceptor-target complex and the preliminary results suggest the possibility to further develop this biosensing strategy for toxicological and analytical studies. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000579727300004 |
Publication Date |
2020-04-27 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1567-5394 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
5 |
Times cited |
|
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 5; 2020 IF: 3.346 |
| |
Call Number |
UA @ admin @ c:irua:172494 |
Serial |
6477 |
| Permanent link to this record |
| |
|
| |
|
Author |
Khan, S.U.; Matshitse, R.; Borah, R.; Nemakal, M.; Moiseeva, E.O.; Dubinina, T.V.; Nyokong, T.; Verbruggen, S.W.; De Wael, K. |
| |
Title |
Coupling of phthalocyanines with plasmonic gold nanoparticles by click chemistry for an enhanced singlet oxygen based photoelectrochemical sensing |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
ChemElectroChem |
Abbreviated Journal |
|
| |
Volume |
|
Issue |
|
Pages |
1-11 |
| |
Keywords |
A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab); Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS) |
| |
Abstract |
Coupling photosensitizers (PSs) with plasmonic nanoparticles increases the photocatalytic activity of PSs as the localized surface plasmon resonance (LSPR) of plasmonic nanoparticles leads to extreme concentration of light in their vicinity known as the near-field enhancement effect. To realize this in a colloidal phase, efficient conjugation of the PS molecules with the plasmonic nanoparticle surface is critical. In this work, we demonstrate the coupling of phthalocyanine (Pc) molecules with gold nanoparticles (AuNPs) in the colloidal phase via click chemistry. This conjugated Pc-AuNPs colloidal system is shown to enhance the photocatalytic singlet oxygen (1O2) production over non-conjugated Pcs and hence improve the photoelectrochemical detection of phenols. The plasmonic enhancement of the 1O2 generation by Pcs was clearly elucidated by complementary experimental and computational classical electromagnetic models. The dependence of plasmonic enhancement on the spectral position of the excitation laser wavelength and the absorbance of the Pc molecules with respect to the wavelength specific near-field enhancement is clearly demonstrated. A high similar to 8 times enhancement is obtained with green laser (532 nm) at the LSPR due to the maximum near-field enhancement at the resonance wavelength. Zinc phthalocyanine is covalently linked to plasmonic AuNPs via click chemistry to investigate the synergistic effect that boosts the overall activity toward the detection of HQ under visible light illumination. The 1O2 quantum yield of ZnPc improved significantly after conjugating with AuNPs, resulting in enhanced photoelectrochemical activity. image |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
001214481000001 |
Publication Date |
2024-05-02 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
2196-0216 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| |
Impact Factor |
4 |
Times cited |
|
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 4; 2024 IF: 4.136 |
| |
Call Number |
UA @ admin @ c:irua:205962 |
Serial |
9142 |
| Permanent link to this record |
| |
|
| |
|
Author |
Borah, R.; Verbruggen, S.W. |
| |
Title |
Coupled plasmon modes in 2D gold nanoparticle clusters and their effect on local temperature control |
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 |
50 |
Pages |
30594-30603 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| |
Abstract |
Assemblies of closely separated gold nanoparticles exhibit a strong collective plasmonic response due to coupling of the plasmon modes of the individual nanostructures. In the context of self-assembly of nanoparticles, close-packed two-dimensional (2D) clusters of spherical nanoparticles present an important composite system that promises numerous applications. The present study probes the collective plasmonic characteristics and resulting photothermal behavior of close-packed 2D Au nanoparticle clusters to delineate the effects of the cluster size, interparticle distance, and particle size. Smaller nanoparticles (20 and 40 nm in diameter) that exhibit low individual scattering and high absorption were considered for their relevance to photothermal applications. In contrast to typical literature studies, the present study compares the optical response of clusters of different sizes ranging from a single nanoparticle up to large assemblies of 61 nanoparticles. Increasing the cluster size induces significant changes to the spectral position and optophysical characteristics. Based on the model outcome, an optimal cluster size for maximum absorption per nanoparticle is also determined for enhanced photothermal effects. The effect of the particle size and interparticle distance is investigated to elucidate the nature of interaction in terms of near-field and far-field coupling. The photothermal effect resulting from absorption is compared for different cluster sizes and interparticle distances considering a homogeneous water medium. A strong dependence of the steady-state temperature of the nanoparticles on the cluster size, particle position in the cluster, incident light polarization, and interparticle distance provides new physical insight into the local temperature control of plasmonic nanostructures. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000503919500061 |
Publication Date |
2019-11-20 |
| |
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:164530 |
Serial |
5938 |
| Permanent link to this record |
| |
|
| |
|
Author |
Maerivoet, S.; Tsonev, I.; Slaets, J.; Reniers, F.; Bogaerts, A. |
| |
Title |
Coupled multi-dimensional modelling of warm plasmas: Application and validation for an atmospheric pressure glow discharge in CO2/CH4/O2 |
Type |
A1 Journal Article |
| |
Year |
2024 |
Publication |
Chemical Engineering Journal |
Abbreviated Journal |
Chemical Engineering Journal |
| |
Volume |
492 |
Issue |
|
Pages |
152006 |
| |
Keywords |
A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
| |
Abstract |
To support experimental research into gas conversion by warm plasmas, models should be developed to explain the experimental observations. These models need to describe all physical and chemical plasma properties in a coupled way. In this paper, we present a modelling approach to solve the complete set of assumed relevant equations, including gas flow, heat balance and species transport, coupled with a rather extensive chemistry set, consisting of 21 species, obtained by reduction of a more detailed chemistry set, consisting of 41 species. We apply this model to study the combined CO2 and CH4 conversion in the presence of O2, in a direct current atmospheric pressure glow discharge. Our model can predict the experimental trends, and can explain why higher O2 fractions result in higher CH4 conversion, namely due to the higher gas temperature, rather than just by additional chemical reactions. Indeed, our model predicts that when more O2 is added, the energy required to reach any set temperature (i.e., the enthalpy) drops, allowing the system to reach higher temperatures with similar amounts of energy. This is in turn related to the higher H2O fraction and lower H2 fraction formed in the plasma, as demonstrated by our model. Altogether, our new self-consistent model can capture the main physics and chemistry occurring in this warm plasma, which is an important step towards predictive modelling for plasma-based gas conversion. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
|
Publication Date |
2024-05-09 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1385-8947 |
ISBN |
|
Additional Links |
|
| |
Impact Factor |
15.1 |
Times cited |
|
Open Access |
|
| |
Notes |
This research was supported by the Excellence of Science FWO-FNRS project (FWO grant ID G0I1822N; EOS ID 40007511) and the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No. 810182–SCOPE ERC Synergy project, and grant agreement No. 101081162–PREPARE ERC Proof of Concept project). computational resources and services used in this work were provided by the HPC core facility CalcUA of the Universiteit Antwerpen, and VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government. |
Approved |
Most recent IF: 15.1; 2024 IF: 6.216 |
| |
Call Number |
PLASMANT @ plasmant @ |
Serial |
9132 |
| Permanent link to this record |
| |
|
| |
|
Author |
Tso, H.C.; Vasilopoulos, P.; Peeters, F.M. |
| |
Title |
Coupled electron-hole transport: generalized random-phase approximation and density functional theory |
Type |
A1 Journal article |
| |
Year |
1994 |
Publication |
Surface science : a journal devoted to the physics and chemistry of interfaces |
Abbreviated Journal |
Surf Sci |
| |
Volume |
305 |
Issue |
|
Pages |
400-404 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| |
Language |
|
Wos |
A1994ND67400076 |
Publication Date |
2002-10-18 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0039-6028; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.925 |
Times cited |
5 |
Open Access |
|
| |
Notes |
|
Approved |
PHYSICS, APPLIED 47/145 Q2 # |
| |
Call Number |
UA @ lucian @ c:irua:9380 |
Serial |
535 |
| Permanent link to this record |
| |
|
| |
|
Author |
Hadermann, J.; Abakumov, A.M.; Gillie, L.J.; Martin, C.; Hervieu, M. |
| |
Title |
Coupled cation and charge ordering in the CaMn306 tunnel structure |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| |
Volume |
18 |
Issue |
23 |
Pages |
5530-5536 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| |
Language |
|
Wos |
000241808600021 |
Publication Date |
2006-10-15 |
| |
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 |
33 |
Open Access |
|
| |
Notes |
Iap V-1 |
Approved |
Most recent IF: 9.466; 2006 IF: 5.104 |
| |
Call Number |
UA @ lucian @ c:irua:61374 |
Serial |
534 |
| Permanent link to this record |
| |
|
| |
|
Author |
Abakumov, A.M.; d' Hondt, H.; Rossell, M.D.; Tsirlin, A.A.; Gutnikova, O.; Filimonov, D.S.; Schnelle, W.; Rosner, H.; Hadermann, J.; Van Tendeloo, G.; Antipov, E.V. |
| |
Title |
Coupled anion and cation ordering in Sr3RFe4O10.5 (R=Y, Ho, Dy) anion-deficientperovskites |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| |
Volume |
183 |
Issue |
12 |
Pages |
2845-2854 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
The Sr3RFe4O10.5 (R=Y, Ho, Dy) anion-deficient perovskites were prepared using a solid-state reaction in evacuated sealed silica tubes. Transmission electron microscopy and 57Fe Mössbauer spectroscopy evidenced a complete A-cations and oxygen vacancies ordering. The structure model was further refined by ab initio structure relaxation, based on density functional theory calculations. The compounds crystallize in a tetragonal a≈2√2ap≈11.3 Å, с≈4сp≈16 Å unit cell (ap: parameter of the perovskite subcell) with the P42/mnm space group. Oxygen vacancies reside in the (FeO5/4□3/4) layers, comprising corner-sharing FeO4 tetrahedra and FeO5 tetragonal pyramids, which are sandwiched between the layers of the FeO6 octahedra. Smaller R atoms occupy the 9-fold coordinated position, whereas the 10-fold coordinated positions are occupied by larger Sr atoms. The Fe sublattice is ordered aniferromagnetically up to at least 500 K, while the rare-earth sublattice remains disordered down to 2 K. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
London |
Editor |
|
| |
Language |
|
Wos |
000285431100014 |
Publication Date |
2010-10-02 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
2.299 |
Times cited |
8 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 2.299; 2010 IF: 2.261 |
| |
Call Number |
UA @ lucian @ c:irua:88071 |
Serial |
533 |
| Permanent link to this record |
| |
|
| |
|
Author |
Verbruggen, S.W.; Tytgat, T.; Van Passel, S.; Martens, J.A.; Lenaerts, S. |
| |
Title |
Cost-effectiveness analysis to assess commercial TiO2 photocatalysts for acetaldehyde degradation in air |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Chemicke zvesti |
Abbreviated Journal |
Chem Pap |
| |
Volume |
68 |
Issue |
9 |
Pages |
1273-1278 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| |
Abstract |
In the commercialisation of photocatalytic air purifiers, the performance as well as the cost of the catalytic material plays an important role. Where most comparative studies only regard the photocatalytic activity as a decisive parameter, in this study both activity and cost are taken into account. Using a cost-effectiveness analysis, six different commercially available TiO2-based catalysts are evaluated in terms of their activities in photocatalytic degradation of acetaldehyde as a model reaction for indoor air purification. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000336443400015 |
Publication Date |
2014-02-20 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0366-6352 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.258 |
Times cited |
10 |
Open Access |
|
| |
Notes |
; S. W. V. wishes to thank the Research Foundation Flanders (FWO) for the financial support received. The authors are grateful to the University of Antwerp for supporting and funding this research. Evonik is sincerely thanked for providing catalyst samples for our experiments free of charge. All companies are thanked for providing specific pricing data. ; |
Approved |
Most recent IF: 1.258; 2014 IF: 1.468 |
| |
Call Number |
UA @ admin @ c:irua:117297 |
Serial |
6174 |
| Permanent link to this record |
| |
|
| |
|
Author |
Mmari, A.G.; Potgieter-Vermaak, S.S.; Uiso, C.B.S.; Makundi, I.N.; Potgieter, J.H.; Van Grieken, R. |
| |
Title |
Corrosive marine atmosphere investigations in Tanzania: exposure sites and preliminary results |
Type |
A3 Journal article |
| |
Year |
2007 |
Publication |
Newsletter of the International Global Atmospheric Chemistry Project |
Abbreviated Journal |
|
| |
Volume |
|
Issue |
36 |
Pages |
13-18 |
| |
Keywords |
A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
|
Publication Date |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
| |
Notes |
|
Approved |
no |
| |
Call Number |
UA @ admin @ c:irua:65012 |
Serial |
7739 |
| Permanent link to this record |
