| |
Records |
|
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 |
Philippaerts, A.; Goossens, S.; Vermandel, W.; Tromp, M.; Turner, S.; Geboers, J.; Van Tendeloo, G.; Jacobs, P.A.; Sels, B.F. |
| |
Title |
Design of Ru-zeolites for hydrogen-free production of conjugated linoleic acid |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Chemsuschem |
Abbreviated Journal |
Chemsuschem |
| |
Volume |
4 |
Issue |
6 |
Pages |
757-767 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
While conjugated vegetable oils are currently used as additives in the drying agents of oils and paints, they are also attractive molecules for making bio-plastics. Moreover, conjugated oils will soon be accepted as nutritional additives for functional food products. While current manufacture of conjugated vegetable oils or conjugated linoleic acids (CLAs) uses a homogeneous base as isomerisation catalyst, a heterogeneous alternative is not available today. This contribution presents the direct production of CLAs over Ru supported on different zeolites, varying in topology (ZSM-5, BETA, Y), Si/Al ratio and countercation (H+, Na+, Cs+). Ru/Cs-USY, with a Si/Al ratio of 40, was identified as the most active and selective catalyst for isomerisation of methyl linoleate (cis-9,cis-12 (C18:2)) to CLA at 165 °C. Interestingly, no hydrogen pre-treatment of the catalyst or addition of hydrogen donors is required to achieve industrially relevant isomerisation productivities, namely, 0.7 g of CLA per litre of solvent per minute. Moreover, the biologically most active CLA isomers, namely, cis-9,trans-11, trans-10,cis-12 and trans-9,trans-11, were the main products, especially at low catalyst concentrations. Ex situ physicochemical characterisation with CO chemisorption, extended X-ray absorption fine structure measurements, transmission electron microscopy analysis, and temperature-programmed oxidation reveals the presence of highly dispersed RuO2 species in Ru/Cs-USY(40). |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
| |
Language |
|
Wos |
000292214000009 |
Publication Date |
2011-04-20 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1864-5631; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
7.226 |
Times cited |
24 |
Open Access |
|
| |
Notes |
Fwo |
Approved |
Most recent IF: 7.226; 2011 IF: 6.827 |
| |
Call Number |
UA @ lucian @ c:irua:90352 |
Serial |
660 |
| Permanent link to this record |
| |
|
| |
|
Author |
Alaria, J.; Borisov, P.; Dyer, M.S.; Manning, T.D.; Lepadatu, S.; Cain, M.G.; Mishina, E.D.; Sherstyuk, N.E.; Ilyin, N.A.; Hadermann, J.; Lederman, D.; Claridge, J.B.; Rosseinsky, M.J.; |
| |
Title |
Engineered spatial inversion symmetry breaking in an oxide heterostructure built from isosymmetric room-temperature magnetically ordered components |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Chemical science |
Abbreviated Journal |
Chem Sci |
| |
Volume |
5 |
Issue |
4 |
Pages |
1599-1610 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
Royal Society of Chemistry |
Place of Publication |
Cambridge |
Editor |
|
| |
Language |
|
Wos |
000332467400044 |
Publication Date |
2014-01-20 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
2041-6520;2041-6539; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
8.668 |
Times cited |
24 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 8.668; 2014 IF: 9.211 |
| |
Call Number |
UA @ lucian @ c:irua:117064 |
Serial |
1045 |
| Permanent link to this record |
| |
|
| |
|
Author |
Damm, H.; Adriaensens, P.; De Dobbelaere, C.; Capon, B.; Elen, K.; Drijkoningen, J.; Conings, B.; Manca, J.V.; D’Haen, J.; Detavernier, C.; Magusin, P.C.M.M.; Hadermann, J.; Hardy, A.; Van Bael, M.K.; |
| |
Title |
Factors Influencing the Conductivity of Aqueous Sol(ution)-Gel-Processed Al-Doped ZnO Films |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| |
Volume |
26 |
Issue |
20 |
Pages |
5839-5851 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000343950300004 |
Publication Date |
2014-10-06 |
| |
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 |
|
Approved |
Most recent IF: 9.466; 2014 IF: 8.354 |
| |
Call Number |
UA @ lucian @ c:irua:121211 |
Serial |
1170 |
| Permanent link to this record |
| |
|
| |
|
Author |
Filippousi, M.; Siafaka, P.I.; Amanatiadou, E.P.; Nanaki, S.G.; Nerantzaki, M.; Bikiaris, D.N.; Vizirianakis, I.S.; Van Tendeloo, G. |
| |
Title |
Modified chitosan coated mesoporous strontium hydroxyapatite nanorods as drug carriers |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Journal of materials chemistry B : materials for biology and medicine |
Abbreviated Journal |
J Mater Chem B |
| |
Volume |
3 |
Issue |
3 |
Pages |
5991-6000 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
Mesoporous strontium hydroxyapatite (SrHAp) nanorods (NRs) have been successfully synthesized using a simple and efficient chemical route, i.e. the hydrothermal method. Structural and morphological characterization of the as-synthesized SrHAp NRs have been performed by transmission electron microscopy (TEM) and high angle annular dark field scanning transmission electron microscopy (HAADF-STEM). TEM and HAADF-STEM measurements of the NRs reveal the coexistence of longer and shorter particles with the length ranging from 50 nm to 400 nm and a diameter of about 20-40 nm. Electron tomography measurements of the NRs allow us to better visualize the mesopores and their facets. Two model drugs, hydrophobic risperidone and hydrophilic pramipexole, were loaded into the SrHAp NRs. These nanorods were coated using a modified chitosan (CS) with poly(2-hydroxyethyl methacrylate) (PHEMA), in order to encapsulate the drug-loaded SrHAp nanoparticles and reduce the cytotoxicity of the loaded materials. The drug release from neat and encapsulated SrHAp NRs mainly depends on the drug hydrophilicity. Importantly, although neat SrHAp nanorods exhibit some cytotoxicity against Caco-2 cells, the Cs-g-PHEMA-SrHAp drug-loaded nanorods show an acceptable cytocompatibility. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
| |
Language |
|
Wos |
000358065100009 |
Publication Date |
2015-06-10 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
2050-750X;2050-7518; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
4.543 |
Times cited |
24 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 4.543; 2015 IF: 4.726 |
| |
Call Number |
c:irua:127131 |
Serial |
2161 |
| Permanent link to this record |
| |
|
| |
|
Author |
Nayuk, R.; Zacher, D.; Schweins, R.; Wiktor, C.; Fischer, R.A.; Van Tendeloo, G.; Huber, K. |
| |
Title |
Modulated formation of MOF-5 nanoparticles : a SANS analysis |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
| |
Volume |
116 |
Issue |
10 |
Pages |
6127-6135 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| |
Abstract |
MOF-5 nanoparticles were prepared by mixing a solution of [Zn4O(C6H5COO)(6)] with a solution of benzene-1,4-dicarboxylic acid in DMF at ambient conditions. The former species mimics as a secondary building unit (SBU), and the latter acts as linker. Mixing of the two solutions induced the formation of MOF-5 nanoparticles in dilute suspension. The applied conditions were identified as suitable for a closer investigation of the particle formation process by combined light and small angle neutron scattering (SANS). Scattering analysis revealed a significant impact of the molar ratio of the two components in the reaction mixture. Excessive use of the building unit slowed down the process. A similar effect was observed upon addition of 4n-decylbenzoic acid, which is supposed to act as a modulator. The formation mechanism leads to initial intermediates, which turn into cubelike nanoparticles with a diameter of about 60-80 nm. This initial stage is followed by an extended formation period, where nucleation proceeds over hours, leading to an increasing number of nanoparticles with the same final size of 60-80 nm. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| |
Language |
|
Wos |
000301509600020 |
Publication Date |
2012-02-16 |
| |
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 |
24 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 4.536; 2012 IF: 4.814 |
| |
Call Number |
UA @ lucian @ c:irua:97789 |
Serial |
2163 |
| Permanent link to this record |
| |
|
| |
|
Author |
Khalilov, U.; Pourtois, G.; Huygh, S.; van Duin, A.C.T.; Neyts, E.C.; Bogaerts, A. |
| |
Title |
New mechanism for oxidation of native silicon oxide |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
| |
Volume |
117 |
Issue |
19 |
Pages |
9819-9825 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| |
Abstract |
Continued miniaturization of metal-oxide-semiconductor field-effect transistors (MOSFETs) requires an ever-decreasing thickness of the gate oxide. The structure of ultrathin silicon oxide films, however, critically depends on the oxidation mechanism. Using reactive atomistic simulations, we here demonstrate how the oxidation mechanism in hyperthermal oxidation of such structures may be controlled by the oxidation temperature and the oxidant energy. Specifically, we study the interaction of hyperthermal oxygen with energies of 15 eV with thin SiOx (x ≤ 2) films with a native oxide thickness of about 10 Å. We analyze the oxygen penetration depth probability and compare with results of the hyperthermal oxidation of a bare Si(100){2 × 1} (c-Si) surface. The temperature-dependent oxidation mechanisms are discussed in detail. Our results demonstrate that, at low (i.e., room) temperature, the penetrated oxygen mostly resides in the oxide region rather than at the SiOx|c-Si interface. However, at higher temperatures, starting at around 700 K, oxygen atoms are found to penetrate and to diffuse through the oxide layer followed by reaction at the c-Si boundary. We demonstrate that hyperthermal oxidation resembles thermal oxidation, which can be described by the DealGrove model at high temperatures. Furthermore, defect creation mechanisms that occur during the oxidation process are also analyzed. This study is useful for the fabrication of ultrathin silicon oxide gate oxides for metal-oxide-semiconductor devices as it links parameters that can be straightforwardly controlled in experiment (oxygen temperature, velocity) with the silicon oxide structure. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| |
Language |
|
Wos |
000319649100032 |
Publication Date |
2013-04-23 |
| |
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 |
24 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 4.536; 2013 IF: 4.835 |
| |
Call Number |
UA @ lucian @ c:irua:107989 |
Serial |
2321 |
| Permanent link to this record |
| |
|
| |
|
Author |
Pelloquin, D.; Hadermann, J.; Giot, M.; Caignaert, V.; Michel, C.; Hervieu, M.; Raveau, B. |
| |
Title |
Novel, oxygen-deficient n=3 RP-member Sr3NdFe3O9-\delta and its topotactic derivatives |
Type |
A1 Journal article |
| |
Year |
2004 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| |
Volume |
16 |
Issue |
|
Pages |
1715-1724 |
| |
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 |
000221345000019 |
Publication Date |
2004-04-27 |
| |
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 |
|
Approved |
Most recent IF: 9.466; 2004 IF: 4.103 |
| |
Call Number |
UA @ lucian @ c:irua:47318 |
Serial |
2381 |
| Permanent link to this record |
| |
|
| |
|
Author |
Hervieu, M.; Martin, C.; Maignan, A.; Van Tendeloo, G.; Jirak, Z.; Hejtmanek, J.; Barnabe, A.; Thopart, D.; Raveau, B. |
| |
Title |
Structural and magnetotransport transitions in the electron-doped Pr1-xSrxMnO3(0.85\leq x\leq1) manganites |
Type |
A1 Journal article |
| |
Year |
2000 |
Publication |
Chemistry and materials |
Abbreviated Journal |
Chem Mater |
| |
Volume |
12 |
Issue |
5 |
Pages |
1456-1462 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
The exploration of the Mn4+-rich side of the Pr1-xSrxMnO3 system has allowed the extension of the domain of the cubic perovskite, by using a two-step process, combining synthesis under Ar flow at high temperature and O-2 pressure annealing at lower temperature. We show that these Pr-doped cubic perovskites exhibit a coupled structural (cubic-tetragonal) and magnetic (para-antiferro) transition connected with a resistivity jump at the same temperature. The strong interplay between lattice, charges, and spins for these oxides results from the appearance at low temperature of the distorted C-type antiferromagnetic structure. The Pr1-xSrxMnO3 magnetic phase diagram shows, for 0.9 less than or equal to x less than or equal to 1 (i.e., on the Mn4+-rich side), the existence at low temperature of C- and G-type antiferromagnetism. The absence of ferromagnetic-antiferromagnetic competition explains that magnetoresistante properties are not observed in this system, in contrast to Mn4+-rich Ln(1-x)Ca(x)MnO(3) systems. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| |
Language |
|
Wos |
000087136800039 |
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 |
24 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 9.466; 2000 IF: 3.580 |
| |
Call Number |
UA @ lucian @ c:irua:103454 |
Serial |
3198 |
| Permanent link to this record |
| |
|
| |
|
Author |
Panin, R.V.; Khasanova, N.R.; Abakumov, A.M.; Antipov, E.V.; Van Tendeloo, G.; Schnelle, W. |
| |
Title |
Synthesis and crystal structure of the palladium oxides NaPd3O4, Na2PdO3 and K3Pd2O4 |
Type |
A1 Journal article |
| |
Year |
2007 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| |
Volume |
180 |
Issue |
5 |
Pages |
1566-1574 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
London |
Editor |
|
| |
Language |
|
Wos |
000246892800007 |
Publication Date |
2007-03-13 |
| |
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 |
24 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 2.299; 2007 IF: 2.149 |
| |
Call Number |
UA @ lucian @ c:irua:64740 |
Serial |
3429 |
| Permanent link to this record |
| |
|
| |
|
Author |
Aierken, Y.; Çakir, D.; Peeters, F.M. |
| |
Title |
Strain enhancement of acoustic phonon limited mobility in monolayer TiS3 |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
| |
Volume |
18 |
Issue |
18 |
Pages |
14434-14441 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
Strain engineering is an effective way to tune the intrinsic properties of a material. Here, we show by using first-principles calculations that both uniaxial and biaxial tensile strain applied to monolayer TiS3 are able to significantly modify its intrinsic mobility. From the elastic modulus and the phonon dispersion relation we determine the tensile strain range where structure dynamical stability of the monolayer is guaranteed. Within this region, we find more than one order of enhancement of the acoustic phonon limited mobility at 300 K (100 K), i.e. from 1.71 x 10(4) (5.13 x 10(4)) cm(2) V-1 s(-1) to 5.53 x 10(6) (1.66 x 10(6)) cm(2) V-1 s(-1). The degree of anisotropy in both mobility and effective mass can be tuned by using tensile strain. Furthermore, we can either increase or decrease the band gap of TiS3 monolayer by applying strain along different crystal directions. This property allows us to use TiS3 not only in electronic but also in optical applications. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
| |
Language |
|
Wos |
000378102700036 |
Publication Date |
2016-05-05 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1463-9076 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
4.123 |
Times cited |
24 |
Open Access |
|
| |
Notes |
; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-V1). Computational resources were provided by HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation and the Flemish Government-department EWI. ; |
Approved |
Most recent IF: 4.123 |
| |
Call Number |
UA @ lucian @ c:irua:134628 |
Serial |
4250 |
| Permanent link to this record |
| |
|
| |
|
Author |
Ata, I.; Ben Dkhil, S.; Pfannmoeller, M.; Bals, S.; Duche, D.; Simon, J.-J.; Koganezawa, T.; Yoshimoto, N.; Videlot-Ackermann, C.; Margeat, O.; Ackermann, J.; Baeuerle, P. |
| |
Title |
The influence of branched alkyl side chains in A-D-A oligothiophenes on the photovoltaic performance and morphology of solution-processed bulk-heterojunction solar cells |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Organic chemistry frontiers : an international journal of organic chemistry |
Abbreviated Journal |
Org Chem Front |
| |
Volume |
4 |
Issue |
4 |
Pages |
1561-1573 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
Besides providing sufficient solubility, branched alkyl chains also affect the film-forming and packing properties of organic semiconductors. In order to avoid steric hindrance as it is present in wide-spread alkyl chains comprising a branching point position at the C2-position, i.e., 2-ethylhexyl, the branching point can be moved away from the pi-conjugated backbone. In this report, we study the influence of the modification of the branching point position from the C2-position in 2-hexyldecylamine (1) to the C4-position in 4-hexyldecylamine (2) connected to the central dithieno[3,2-b: 2', 3'-d] pyrrole (DTP) moiety in a well-studied A-D-A oligothiophene on the optoelectronic properties and photovoltaic performance in solution- processed bulk heterojunction solar cells (BHJSCs) with [6,6]-phenyl-C71-butyric acid methyl ester (PC71BM) as the acceptor material. Post-treatment of the photoactive layers is performed via solvent vapor annealing (SVA) in order to improve the film microstructure of the bulk heterojunction. The time evolution of nanoscale morphological changes is followed by combining scanning transmission electron microscopy with low-energy-loss spectroscopic imaging (STEM-SI), solid-state absorption spectroscopy, and two-dimensional grazing incidence X-ray diffraction (2D-GIXRD). Our results show an improvement of the photovoltaic performance that is dependent on the branching point position in the donor oligomer. Optical spacers are utilized to increase light absorption inside the co-oligomer 2-based BHJSCs leading to increased power conversion efficiencies (PCEs) of 8.2% when compared to the corresponding co-oligomer 1-based devices. A STEM-SI analysis of the respective device cross-sections of active layers containing 1 and 2 as donor materials indeed reveals significant differences in their respective active layer morphologies. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
RSC Publishing |
Place of Publication |
London |
Editor |
|
| |
Language |
|
Wos |
000406374800013 |
Publication Date |
2017-05-02 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
2052-4129 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
4.955 |
Times cited |
24 |
Open Access |
OpenAccess |
| |
Notes |
; We acknowledge financial support by the European Commission under the project “SUNFLOWER” (FP7-ICT-2011-7, grant number: 287594) and S.B. acknowledges the ERC Starting Grant Colouratoms (335078). ; |
Approved |
Most recent IF: 4.955 |
| |
Call Number |
UA @ lucian @ c:irua:145176UA @ admin @ c:irua:145176 |
Serial |
4727 |
| Permanent link to this record |
| |
|
| |
|
Author |
Monico, L.; Janssens, K.; Hendriks, E.; Vanmeert, F.; van der Snickt, G.; Cotte, M.; Falkenberg, G.; Brunetti, B.G.; Miliani, C. |
| |
Title |
Evidence for degradation of the chrome yellows in Van Gogh's sunflowers : a study using noninvasive in situ methods and synchrotron-radiation-based x-ray techniques |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
| |
Volume |
54 |
Issue |
47 |
Pages |
13923-13927 |
| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| |
Abstract |
This paper presents firm evidence for the chemical alteration of chrome yellow pigments in Van Gogh's Sunflowers (Van Gogh Museum, Amsterdam). Noninvasive in situ spectroscopic analysis at several spots on the painting, combined with synchrotron-radiation-based X-ray investigations of two microsamples, revealed the presence of different types of chrome yellow used by Van Gogh, including the lightfast PbCrO4 and the sulfur-rich PbCr1-xSxO4 (x approximate to 0.5) variety that is known for its high propensity to undergo photoinduced reduction. The products of this degradation process, i.e., Cr-III compounds, were found at the interface between the paint and the varnish. Selected locations of the painting with the highest risk of color modification by chemical deterioration of chrome yellow are identified, thus calling for careful monitoring in the future. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000367722500009 |
Publication Date |
2015-10-20 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1433-7851; 0570-0833 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
11.994 |
Times cited |
24 |
Open Access |
|
| |
Notes |
; We acknowledge financial support from the Italian MIUR project SICH-PRIN (2010329WPF_001) and BELSPO (Brussels) Project S2-ART (SD04A), GOA “SOLARPAINT” (Research Fund Antwerp University, BOF-2015), and FWO (Brussels) projects G.0C12.13, G.0704.08, G.01769.09. We thank ESRF (EC-1051, HG-26) and DESY (I-20120312 EC) for beamtime grants received. Noninvasive analysis of Sunflowers were supported by the EU FP7 programme CHARISMA (Grant 228330) and the Fund Inbev-Baillet Latour (Brussels). L.M. acknowledges financial support from the CNR Short Term Mobility Programme-2013. We thank Muriel Geldof, Luc Megens, Suzan de Groot (The Netherlands Cultural Heritage Agency, RCE), Chiara Grazia, David Buti (CNR-ISTM and SMAArt Centre), and the staff of the Van Gogh Museum for their collaboration. ; |
Approved |
Most recent IF: 11.994; 2015 IF: 11.261 |
| |
Call Number |
UA @ admin @ c:irua:131110 |
Serial |
5617 |
| Permanent link to this record |
| |
|
| |
|
Author |
Ricciardi, P.; Legrand, S.; Bertolotti, G.; Janssens, K. |
| |
Title |
Macro X-ray fluorescence (MA-XRF) scanning of illuminated manuscript fragments: potentialities and challenges |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Microchemical journal
T2 – TECHNART Conference, APR 27-30, 2015, Catania, ITALY |
Abbreviated Journal |
Microchem J |
| |
Volume |
124 |
Issue |
|
Pages |
785-791 |
| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| |
Abstract |
Macro X-ray fluorescence scanning (MA-XRF) is gradually becoming an established technique for the non-invasive analytical investigation of painted surfaces. This paper discusses some of the benefits and limitations of employing MA-XRF for the study of manuscript illuminations. Art historical research on this type of artefacts that is based on scientific measurements is often limited by the fact that usually no sampling can take place. Hence there is a need for non-invasive analytical tools that make it possible to conduct systematic investigations. As a representative example of this type of objects, a 15th century Italian manuscript fragment from the collection of the Fitzwilliam Museum in Cambridge (UK) is investigated. The aims of the study were to gain insight into the materials and techniques employed by Renaissance illuminators and to help answer specific questions regarding the fragment's authorship and geographic origin. The complementarity and advantages of MA-XRF mapping versus site-specific analyses are discussed. For this purpose, MA-XRF data are evaluated and compared with the results of other analytical techniques. The interpretation of the elemental maps is discussed along with the challenges faced during the analysis. (C) 2015 Elsevier B.V. All rights reserved. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000367755600096 |
Publication Date |
2015-10-27 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0026-265x; 0026-265x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.034 |
Times cited |
24 |
Open Access |
|
| |
Notes |
; ; |
Approved |
Most recent IF: 3.034 |
| |
Call Number |
UA @ admin @ c:irua:144767 |
Serial |
5698 |
| Permanent link to this record |
| |
|
| |
|
Author |
Vanmeert, F.; van der Snickt, G.; Janssens, K. |
| |
Title |
Plumbonacrite identified by X-ray powder diffraction tomography as a missing link during degradation of red lead in a Van Gogh painting |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
| |
Volume |
54 |
Issue |
12 |
Pages |
3607-3610 |
| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| |
Abstract |
Red lead, a semiconductor pigment used by artists since antiquity, is known to undergo several discoloration phenomena. These transformations are either described as darkening of the pigment caused by the formation of either plattnerite (β-PbO2) or galena (PbS) or as whitening by which red lead is converted into anglesite (PbSO4) or (hydro)cerussite (2 PbCO3⋅Pb(OH)2; PbCO3). X-ray powder diffraction tomography, a powerful analytical method that allows visualization of the internal distribution of different crystalline compounds in complex samples, was used to investigate a microscopic paint sample from a Van Gogh painting. A very rare lead mineral, plumbonacrite (3 PbCO3⋅ Pb(OH)2⋅PbO), was revealed to be present. This is the first reported occurrence of this compound in a painting dating from before the mid 20th century. It constitutes the missing link between on the one hand the photoinduced reduction of red lead and on the other hand (hydro)cerussite, and thus sheds new light on the whitening of red lead. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000351178300008 |
Publication Date |
2015-02-20 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1433-7851; 0570-0833 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
11.994 |
Times cited |
24 |
Open Access |
|
| |
Notes |
; The authors acknowledge L. Van der Loeff and M. Leeuwestein (Kroller-Muller Museum) for providing the paint sample. We thank Dr. J. Jaroszewicz (WUT) for performing the CT measurements. This research was carried out at the light source PETRA III at DESY, a member of the Helmholtz Association (HGF). We thank Dr. G. Falkenberg and the members of his team for their assistance in using beam line P06. We acknowledge financial support from the University of Antwerp GOA projects “XANES meets EELS” and “SOLARPaint”, as well as from BELSPO (Brussels) Project S2-ART and FWO (Brussels) project “ESRF-Dubble”. ; |
Approved |
Most recent IF: 11.994; 2015 IF: 11.261 |
| |
Call Number |
UA @ admin @ c:irua:124620 |
Serial |
5774 |
| Permanent link to this record |
| |
|
| |
|
Author |
Choukroun, D.; Daems, N.; Kenis, T.; Van Everbroeck, T.; Hereijgers, J.; Altantzis, T.; Bals, S.; Cool, P.; Breugelmans, T. |
| |
Title |
Bifunctional nickel-nitrogen-doped-carbon-supported copper electrocatalyst for CO2 reduction |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Journal Of Physical Chemistry C |
Abbreviated Journal |
J Phys Chem C |
| |
Volume |
124 |
Issue |
124 |
Pages |
1369-1381 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Applied Electrochemistry & Catalysis (ELCAT) |
| |
Abstract |
Bifunctionality is a key feature of many industrial catalysts, supported metal clusters and particles in particular, and the development of such catalysts for the CO2 reduction reaction (CO2RR) to hydrocarbons and alcohols is gaining traction in light of recent advancements in the field. Carbon-supported Cu nanoparticles are suitable candidates for integration in the state-of-the-art reaction interfaces, and here, we propose, synthesize, and evaluate a bifunctional Ni–N-doped-C-supported Cu electrocatalyst, in which the support possesses active sites for selective CO2 conversion to CO and Cu nanoparticles catalyze either the direct CO2 or CO reduction to hydrocarbons. In this work, we introduce the scientific rationale behind the concept, its applicability, and the challenges with regard to the catalyst. From the practical aspect, the deposition of Cu nanoparticles onto carbon black and Ni–N–C supports via an ammonia-driven deposition precipitation method is reported and explored in more detail using X-ray diffraction, thermogravimetric analysis, and hydrogen temperature-programmed reduction. High-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) and energy-dispersive X-ray spectroscopy (EDXS) give further evidence of the presence of Cu-containing nanoparticles on the Ni–N–C supports while revealing an additional relationship between the nanoparticle’s composition and the electrode’s electrocatalytic performance. Compared to the benchmark carbon black-supported Cu catalysts, Ni–N–C-supported Cu delivers up to a 2-fold increase in the partial C2H4 current density at −1.05 VRHE (C1/C2 = 0.67) and a concomitant 10-fold increase of the CO partial current density. The enhanced ethylene production metrics, obtained by virtue of the higher intrinsic activity of the Ni–N–C support, point out toward a synergistic action between the two catalytic functionalities. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000508467700015 |
Publication Date |
2020-01-07 |
| |
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 |
3.7 |
Times cited |
24 |
Open Access |
OpenAccess |
| |
Notes |
; N.D. acknowledges sponsoring from the research foundation of Flanders (FWO) in the frame of a postdoctoral grant (12Y3919N N.D.). J.H. greatly acknowledges the Research Foundation Flanders (FWO) for support through a postdoctoral fellowship (28761). T.V.E. and P.C. acknowledge financial support from the EU-Partial-PGMs project (H2020NMP-686086). The authors also acknowledge financial support from the university research fund (BOF-GOA PS ID No. 33928). ; |
Approved |
Most recent IF: 3.7; 2020 IF: 4.536 |
| |
Call Number |
UA @ admin @ c:irua:165326 |
Serial |
6286 |
| Permanent link to this record |
| |
|
| |
|
Author |
Siriwardane, E.M.D.; Demiroglu, I.; Sevik, C.; Peeters, F.M.; Çakir, D. |
| |
Title |
Assessment of sulfur-functionalized MXenes for li-ion battery applications |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Journal Of Physical Chemistry C |
Abbreviated Journal |
J Phys Chem C |
| |
Volume |
124 |
Issue |
39 |
Pages |
21293-21304 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| |
Abstract |
The surface termination of MXenes greatly determines the electrochemical properties and ion kinetics on their surfaces. So far, hydroxyl-, oxygen-, and fluorine-terminated MXenes have been widely studied for energy storage applications. Recently, sulfur-functionalized MXene structures, which possess low diffusion barriers, have been proposed as candidate materials to enhance battery performance. We performed first-principles calculations on the structural, stability, electrochemical, and ion dynamic properties of Li-adsorbed sulfur-functionalized groups 3B, 4B, 5B, and 6B transition-metal (M)-based MXenes (i.e., M2CS2 with M = Sc, Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, and W). We performed phonon calculations, which indicated that all of the above M2CS2 MXenes, except for Sc, are dynamically stable at T = 0 K. The ground-state structure of each M2CS2 monolayer depends on the type of M atom. For instance, while sulfur prefers to sit at the FCC site on Ti2CS2, it occupies the HCP site of Cr-based MXene. We determined the Li adsorption configurations at different concentrations using the cluster expansion method. The highest maximum open-circuit voltages were computed for the group 4B element (i.e., Ti, Zr, and Hf)-based M2CS2, which are larger than 2.1 V, while their average voltages are approximately 1 V. The maximum voltage for the group 6B element (i.e., Cr, Mo, W)-based M2CS2 is less than 1 V, and the average voltage is less than 0.71 V. We found that S functionalization is helpful for capacity improvements over the O-terminated MXenes. In this respect, the computed storage gravimetric capacity may reach up to 417.4 mAh/g for Ti2CS2 and 404.5 mAh/g for V2CS2. Ta-, Cr-, Mo-, and W-based M2CS2 MXenes show very low capacities, which are less than 100 mAh/g. The Li surface diffusion energy barriers for all of the considered MXenes are less than 0.22 eV, which is favorable for high charging and discharging rates. Finally, ab initio molecular dynamic simulations performed at 400 K and bond-length analysis with respect to Li concentration verify that selected promising systems are robust against thermally induced perturbations that may induce structural transformations or distortions and undesirable Li release. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000577151900008 |
Publication Date |
2020-09-01 |
| |
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 |
3.7 |
Times cited |
24 |
Open Access |
|
| |
Notes |
; Computational resources were provided by the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules Foundation. This work was supported, in part, by The Scientific and Technological Research Council of Turkey (TUBITAK) under contract no. 118F512 and the Air Force Office of Scientific Research under award no. FA9550-19-1-7048. This work was performed in part at the Center for Nanoscale Materials, a U.S. Department of Energy Office of Science User. Use of the Center for Nanoscale Materials, an Office of Science user facility, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract no. DE-AC02-06CH11357. This work was supported, in part, by The Scientific and Technological Research Council of Turkey (TUBITAK) under contract no. 118C026. ; |
Approved |
Most recent IF: 3.7; 2020 IF: 4.536 |
| |
Call Number |
UA @ admin @ c:irua:172693 |
Serial |
6452 |
| Permanent link to this record |
| |
|
| |
|
Author |
Leemans, J.; Singh, S.; Li, C.; Ten Brinck, S.; Bals, S.; Infante, I.; Moreels, I.; Hens, Z. |
| |
Title |
Near-Edge Ligand Stripping and Robust Radiative Exciton Recombination in CdSe/CdS Core/Crown Nanoplatelets |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Journal Of Physical Chemistry Letters |
Abbreviated Journal |
J Phys Chem Lett |
| |
Volume |
11 |
Issue |
9 |
Pages |
3339-3344 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
We address the relation between surface chemistry and optoelectronic properties in semiconductor nanocrystals using core/crown CdSe/CdS nanoplatelets passivated by cadmium oleate (Cd(Ol)2) as model systems. We show that addition of butylamine to a nanoplatelet (NPL) dispersion maximally displaces ∼40% of the original Cd(Ol)2 capping. On the basis of density functional theory simulations, we argue that this behavior reflects the preferential displacement of Cd(Ol)2 from (near)-edge surface sites. Opposite from CdSe core NPLs, core/crown NPL dispersions can retain 45% of their initial photoluminescence efficiency after ligand displacement, while radiative exciton recombination keeps dominating the luminescent decay. Using electron microscopy observations, we assign this robust photoluminescence to NPLs with a complete CdS crown, which prevents charge carrier trapping in the near-edge surface sites created by ligand displacement. We conclude that Z-type ligands such as cadmium carboxylates can provide full electronic passivation of (100) facets yet are prone to displacement from (near)-edge surface sites. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000535177500024 |
Publication Date |
2020-05-07 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1948-7185 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
5.7 |
Times cited |
24 |
Open Access |
OpenAccess |
| |
Notes |
Universiteit Gent, GOA 01G01019 ; Fonds Wetenschappelijk Onderzoek, 17006602 FWO17/PDO/184 ; H2020 European Research Council, 714876 Phocona 815128 Realnano ; SIM-Flanders, SBO-QDOCCO ; Z.H. and S.B. acknowledge support by SIM-Flanders (SBO-QDOCCO). Z.H. acknowledges support by FWO-Vlaanderen (research project 17006602). Z.H. and I.M. acknowledge support by Ghent University (GOA n◦ 01G01019). J.L. acknowledges FWO-vlaanderen for a fellowship (SB PhD fellow at FWO). Sh.S acknowledges FWO postdoctoral funding (FWO17/PDO/184). This project has further received funding from the European Research Counsil under the European Union’s Horizon 2020 research and innovation programme (ERC Consolidator grant no. 815128 REALNANO and starting grant no. 714876 PHOCONA).; sygma |
Approved |
Most recent IF: 5.7; 2020 IF: 9.353 |
| |
Call Number |
EMAT @ emat @c:irua:173994 |
Serial |
6657 |
| Permanent link to this record |
| |
|
| |
|
Author |
Zhang, Y.; Qin, S.; Claes, N.; Schilling, W.; Sahoo, P.K.; Ching, H.Y.V.; Jaworski, A.; Lemière, F.; Slabon, A.; Van Doorslaer, S.; Bals, S.; Das, S. |
| |
Title |
Direct Solar Energy-Mediated Synthesis of Tertiary Benzylic Alcohols Using a Metal-Free Heterogeneous Photocatalyst |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
ACS Sustainable Chemistry and Engineering |
Abbreviated Journal |
Acs Sustain Chem Eng |
| |
Volume |
10 |
Issue |
1 |
Pages |
530-540 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Organic synthesis (ORSY) |
| |
Abstract |
Direct hydroxylation via the functionalization of tertiary benzylic C(sp3)-H bond is of great significance for obtaining tertiary alcohols which find wide applications in pharmaceuticals as well as in fine chemical industries. However, current synthetic procedures use toxic reagents and therefore, the development of a sustainable strategy for the synthesis of tertiary benzyl alcohols is highly desirable. To solve this problem, herein, we report a metal-free
heterogeneous photocatalyst to synthesize the hydroxylated products using oxygen as the key reagent. Various benzylic substrates were employed into our mild reaction conditions to afford the desirable products in good to excellent yields. More importantly, gram-scale reaction was achieved via harvesting direct solar energy and exhibited high quantity of the product. The high stability of the catalyst was proved via recycling the catalyst and spectroscopic analyses. Finally, a possible mechanism was proposed based on the EPR and other experimental
evidence. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000736518000001 |
Publication Date |
2022-01-10 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
2168-0485 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
8.4 |
Times cited |
24 |
Open Access |
OpenAccess |
| |
Notes |
We thank BOF joint PhD grant (to Y. Z.), Francqui Foundation and FWO research grant (to S.D.), Chinese Scholarship Council (to Y.Z.). A.S. would like to thank the Swedish Energy Agency for financial support (project nr: 5050-1). The SEM microscope was partly funded by the Hercules Fund from the Flemish Government. |
Approved |
Most recent IF: 8.4 |
| |
Call Number |
EMAT @ emat @c:irua:184744 |
Serial |
6900 |
| Permanent link to this record |
| |
|
| |
|
Author |
Kirsanova, M.A.; Olenev, A.V.; Abakumov, A.M.; Bykov, M.A.; Shevelkov, A.V. |
| |
Title |
Extension of the clathrate family : the type X clathrate Ge79P29S18Te6 |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
| |
Volume |
50 |
Issue |
10 |
Pages |
2371-2374 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
Now they are 10! The title compound displays a new type of crystal structure and is labeled clathrate X according to the general classification of clathrate structures. In contrast to typical clathrates, this compound has three-coordinate atoms within the framework and combines distorted 24-vertex polyhedra (see picture, green) centered around tellurium guest atoms with very irregular 10-vertex polyhedra around sulfur atoms (yellow). |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
| |
Language |
|
Wos |
000288036300033 |
Publication Date |
2011-01-31 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1433-7851; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
11.994 |
Times cited |
23 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 11.994; 2011 IF: 13.455 |
| |
Call Number |
UA @ lucian @ c:irua:88793 |
Serial |
1158 |
| Permanent link to this record |
| |
|
| |
|
Author |
Abakumov, A.M.; Erni, R.; Tsirlin, A.A.; Rossell, M.D.; Batuk, D.; Nénert, G.; Van Tendeloo, G. |
| |
Title |
Frustrated octahedral tilting distortion in the incommensurately modulated Li3xNd2/3-xTiO3 perovskites |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| |
Volume |
25 |
Issue |
13 |
Pages |
2670-2683 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
Perovskite-structured titanates with layered A-site ordering form remarkably complex superstructures. Using transmission electron microscopy, synchrotron X-ray and neutron powder diffraction, and ab initio structure relaxation, we present the structural solution of the incommensurately modulated Li3xNd2/3xTiO3 perovskites (x = 0.05, superspace group Pmmm(α1,1/2,0)000(1/2,β2 0)000, a = 3.831048(5) Å, b = 3.827977(4) Å, c = 7.724356(8) Å, q1 = 0.45131(8)a* + 1/2b*, q2 = 1/2a* + 0.41923(4)b*). In contrast to earlier conjectures on the nanoscale compositional phase separation in these materials, all peculiarities of the superstructure can be understood in terms of displacive modulations related to an intricate octahedral tilting pattern. It involves fragmenting the pattern of the out-of-phase tilted TiO6 octahedra around the a- and b-axes into antiphase domains, superimposed on the pattern of domains with either pronounced or suppressed in-phase tilt component around the c-axis. The octahedral tilting competes with the second order JahnTeller distortion of the TiO6 octahedra. This competition is considered as the primary driving force for the modulated structure. The A cations are suspected to play a role in this modulation affecting it mainly through the tolerance factor and the size variance. The reported crystal structure calls for a revision of the structure models proposed for the family of layered A-site ordered perovskites exhibiting a similar type of modulated structure. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| |
Language |
|
Wos |
000321809700015 |
Publication Date |
2013-06-04 |
| |
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 |
23 |
Open Access |
|
| |
Notes |
Countatoms |
Approved |
Most recent IF: 9.466; 2013 IF: 8.535 |
| |
Call Number |
UA @ lucian @ c:irua:109216 |
Serial |
1292 |
| Permanent link to this record |
| |
|
| |
|
Author |
Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D.; Volety, K.; Huyberechts, G.; Paul, J. |
| |
Title |
High throughput first-principles calculations of bixbyite oxides for TCO applications |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
| |
Volume |
16 |
Issue |
33 |
Pages |
17724-17733 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
| |
Abstract |
We present a high-throughput computing scheme based on density functional theory (DFT) to generate a class of oxides and screen them with the aim of identifying those that might be electronically appropriate for transparent conducting oxide (TCO) applications. The screening criteria used are a minimum band gap to ensure sufficient transparency, a band edge alignment consistent with easy n- or p-type dopability, and a minimum thermodynamic phase stability to be experimentally synthesizable. Following this scheme we screened 23 binary and 1518 ternary bixbyite oxides in order to identify promising candidates, which can then be a subject of an in-depth study. The results for the known TCOs are in good agreement with the reported data in the literature. We suggest a list of several new potential TCOs, including both n- and p-type compounds. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
| |
Language |
|
Wos |
000341064800041 |
Publication Date |
2014-07-07 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1463-9076;1463-9084; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
4.123 |
Times cited |
23 |
Open Access |
|
| |
Notes |
; We gratefully acknowledge financial support from the IWT-Vlaanderen through the ISIMADE project (IWT-n 080023), the FWO-Vlaanderen through project G.0150.13 and a GOA fund from the University of Antwerp. This work was carried out using the HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center VSC, which is funded by the Hercules foundation and the Flemish Government (EWI Department). ; |
Approved |
Most recent IF: 4.123; 2014 IF: 4.493 |
| |
Call Number |
UA @ lucian @ c:irua:118263 |
Serial |
1469 |
| Permanent link to this record |
| |
|
| |
|
Author |
Linssen, T.; Cool, P.; Baroudi, M.; Cassiers, K.; Vansant, E.F.; Lebedev, O.; van Landuyt, J. |
| |
Title |
Leached natural saponite as the silicate source in the synthesis of aluminosilicate hexagonal mesoporous materials |
Type |
A1 Journal article |
| |
Year |
2002 |
Publication |
The journal of physical chemistry : B : condensed matter, materials, surfaces, interfaces and biophysical |
Abbreviated Journal |
J Phys Chem B |
| |
Volume |
106 |
Issue |
|
Pages |
4470-4476 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| |
Language |
|
Wos |
000175356900019 |
Publication Date |
2002-07-26 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1520-6106;1520-5207; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.177 |
Times cited |
23 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.177; 2002 IF: 3.611 |
| |
Call Number |
UA @ lucian @ c:irua:46279 |
Serial |
1811 |
| Permanent link to this record |
| |
|
| |
|
Author |
Adjizian, J.J.; De Marco, P.; Suarez-Martinez, I.; El Mel, A.A.; Snyders, R.; Gengler, R.Y.N.; Rudolf, P.; Ke, X.; Van Tendeloo, G.; Bittencourt, C.; Ewels, C.P.; |
| |
Title |
Platinum and palladium on carbon nanotubes : experimental and theoretical studies |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
| |
Volume |
571 |
Issue |
|
Pages |
44-48 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
Pristine and oxygen plasma functionalised carbon nanotubes (CNTs) were studied after the evaporation of Pt and Pd atoms. High resolution transmission electron microscopy shows the formation of metal nanoparticles at the CNT surface. Oxygen functional groups grafted by the plasma functionalization act as nucleation sites for metal nanoparticles. Analysis of the C1s core level spectra reveals that there is no covalent bonding between the Pt or Pd atoms and the CNT surface. Unlike other transition metals such as titanium and copper, neither Pd nor Pt show strong oxygen interaction or surface oxygen scavenging behaviour. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| |
Language |
|
Wos |
000319109900007 |
Publication Date |
2013-04-06 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0009-2614; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.815 |
Times cited |
23 |
Open Access |
|
| |
Notes |
Countatoms; Cost |
Approved |
Most recent IF: 1.815; 2013 IF: 1.991 |
| |
Call Number |
UA @ lucian @ c:irua:108706 |
Serial |
2650 |
| Permanent link to this record |
| |
|
| |
|
Author |
Deng, S.; Kurttepeli, M.; Cott, D.J.; Bals, S.; Detavernier, C. |
| |
Title |
Porous nanostructured metal oxides synthesized through atomic layer deposition on a carbonaceous template followed by calcination |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Journal of materials chemistry A : materials for energy and sustainability |
Abbreviated Journal |
J Mater Chem A |
| |
Volume |
3 |
Issue |
3 |
Pages |
2642-2649 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| |
Abstract |
Porous metal oxides with nano-sized features attracted intensive interest in recent decades due to their high surface area which is essential for many applications, e.g. Li ion batteries, photocatalysts, fuel cells and dye-sensitized solar cells. Various approaches have so far been investigated to synthesize porous nanostructured metal oxides, including self-assembly and template-assisted synthesis. For the latter approach, forests of carbon nanotubes are considered as particularly promising templates, with respect to their one-dimensional nature and the resulting high surface area. In this work, we systematically investigate the formation of porous metal oxides (Al2O3, TiO2, V2O5 and ZnO) with different morphologies using atomic layer deposition on multi-walled carbon nanotubes followed by post-deposition calcination. X-ray diffraction, scanning electron microscopy accompanied by X-ray energy dispersive spectroscopy and transmission electron microscopy were used for the investigation of morphological and structural transitions at the micro- and nano-scale during the calcination process. The crystallization temperature and the surface coverage of the metal oxides and the oxidation temperature of the carbon nanotubes were found to produce significant influence on the final morphology. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
| |
Language |
|
Wos |
000348990500019 |
Publication Date |
2014-12-06 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
2050-7488;2050-7496; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
8.867 |
Times cited |
23 |
Open Access |
OpenAccess |
| |
Notes |
Fwo; 239865 Cocoon; 335078 Colouratoms; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); |
Approved |
Most recent IF: 8.867; 2015 IF: 7.443 |
| |
Call Number |
c:irua:125298 |
Serial |
2673 |
| Permanent link to this record |
| |
|
| |
|
Author |
Ban, V.; Soloninin, A.V.; Skripov, A.V.; Hadermann, J.; Abakumov, A.; Filinchuk, Y. |
| |
Title |
Pressure-Collapsed Amorphous Mg(BH4)(2): An Ultradense Complex Hydride Showing a Reversible Transition to the Porous Framework |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
| |
Volume |
118 |
Issue |
40 |
Pages |
23402-23408 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| |
Abstract |
Hydrogen-storage properties of complex hydrides depend of their form, such as a polymorphic form or an eutectic mixture. This Paper reports on an easy and reproducible way to synthesize a new stable form of magnesium borohydride by pressure-induced collapse of the porous gamma-Mg(BH4)(2). This amorphous complex hydride was investigated by temperature-programmed synchrotron X-ray diffraction (SXRD), transmission electron microscopy (TEM), thermogravimetric analysis, differential scanning calorimetry analysis, and Raman spectroscopy, and the dynamics of the BH4 reorientation was studied by spinlattice relaxation NMR spectroscopy. No long-range order is observed in the lattice region by Raman spectroscopy, while the internal vibration modes of the BH4 groups are the same as in the crystalline state. A hump at 4.9 angstrom in the SXRD pattern suggests the presence of nearly linear MgBH4 Mg fragments constituting all the known crystalline polymorphs of Mg(BH4)(2), which are essentially frameworks built of tetrahedral Mg nodes and linear BH4 linkers. TEM shows that the pressure-collapsed phase is amorphous down to the nanoscale, but surprisingly, SXRD reveals a transition at similar to 90 degrees C from the dense amorphous state (density of 0.98 g/cm(3)) back to the porous ? phase having only 0.55 g/cm(3) crystal density. The crystallization is slightly exothermic, with the enthalpy of -4.3 kJ/mol. The volumetric hydrogen density of the amorphous form is 145 g/L, one of the highest among hydrides. Remarkably, this form of Mg(BH4)2 has different reactivity compared to the crystalline forms. The parameters of the reorientational motion of BH4 groups in the amorphous Mg(BH4)(2) found from NMR measurements differ significantly from those in the known crystalline forms. The behavior of the nuclear spinlattice relaxation rates can be described in terms of a Gaussian distribution of the activation energies centered on 234 +/- 9 meV with the dispersion of 100 +/- 10 meV. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| |
Language |
|
Wos |
000343016800067 |
Publication Date |
2014-09-26 |
| |
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 |
23 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 4.536; 2014 IF: 4.772 |
| |
Call Number |
UA @ lucian @ c:irua:121113 |
Serial |
2711 |
| Permanent link to this record |
| |
|
| |
|
Author |
Spreitzer, M.; Egoavil, R.; Verbeeck, J.; Blank, D.H.A.; Rijnders, G. |
| |
Title |
Pulsed laser deposition of SrTiO3 on a H-terminated Si substrate |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Journal of materials chemistry C : materials for optical and electronic devices |
Abbreviated Journal |
J Mater Chem C |
| |
Volume |
1 |
Issue |
34 |
Pages |
5216-5222 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
Interfacing oxides with silicon is a long-standing problem related to the integration of multifunctional oxides with semiconductor devices and the replacement of SiO2 with high-k gate oxides. In our study, pulsed laser deposition was used to prepare a SrTiO3 (STO) thin film on a H-terminated Si substrate. The main purpose of our work was to verify the ability of H-termination against the oxidation of Si during the PLD process and to analyze the resulting interfaces. In the first part of the study, the STO was deposited directly on the Si, leading to the formation of a preferentially textured STO film with a (100) orientation. In the second part, SrO was used as a buffer layer, which enabled the partial epitaxial growth of STO with STO(110)parallel to Si(100) and STO[001]parallel to Si[001]. The change in the growth direction induced by the application of a SrO buffer was governed by the formation of a SrO(111) intermediate layer and subsequently by the minimization of the lattice misfit between the STO and the SrO. Under the investigated conditions, approximately 10 nm thick interfacial layers formed between the STO and the Si due to reactions between the deposited material and the underlying H-terminated Si. In the case of direct STO deposition, SiOx formed at the interface with the silicon, while in the case when SrO was used as a buffer, strontium silicate grew directly on the silicon, which improves the growth quality of the uppermost STO. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000322911900005 |
Publication Date |
2013-07-12 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
2050-7526;2050-7534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
5.256 |
Times cited |
23 |
Open Access |
|
| |
Notes |
Ifox; Esteem2; Vortex; Countatoms; esteem2jra3 ECASJO; |
Approved |
Most recent IF: 5.256; 2013 IF: NA |
| |
Call Number |
UA @ lucian @ c:irua:110798UA @ admin @ c:irua:110798 |
Serial |
2739 |
| Permanent link to this record |
| |
|
| |
|
Author |
McCalla, E.; Prakash, A.S.; Berg, E.; Saubanere, M.; Abakumov, A.M.; Foix, D.; Klobes, B.; Sougrati, M.T.; Rousse, G.; Lepoivre, F.; Mariyappan, S.; Doublet, M.L.; Gonbeau, D.; Novak, P.; Van Tendeloo, G.; Hermann, R.P.; Tarascon, J.M.; |
| |
Title |
Reversible Li-intercalation through oxygen reactivity in Li-rich Li-Fe-Te oxide materials |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Journal of the electrochemical society |
Abbreviated Journal |
J Electrochem Soc |
| |
Volume |
162 |
Issue |
162 |
Pages |
A1341-A1351 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
Lithium-rich oxides are a promising class of positive electrode materials for next generation lithium-ion batteries, and oxygen plays a prominent role during electrochemical cycling either by forming peroxo-like species and/or by irreversibly forming oxygen gas during first charge. Here, we present Li-Fe-Te-O materials which show a tremendous amount of oxygen gas release. This oxygen release accounts for nearly all the capacity during the first charge and results in vacancies as seen by transmission electron microscopy. There is no oxidation of either metal during charge but significant changes in their environments. These changes are particularly extreme for tellurium. XRD and neutron powder diffraction both show limited Changes during cycling and no appreciable change in lattice parameters. A density functional theory study of this material is performed and demonstrates that the holes created on some of the oxygen atoms upon oxidation are partially stabilized through the formation of shorter O-O bonds, i.e. (O-2)(n-) species which on further delithiation show a spontaneous O-2 de-coordination from the cationic network and migration to the now empty lithium layer. The rate limiting step during charge is undoubtedly the diffusion of oxygen either out along the lithium layer or via columns of oxygen atoms. (C) 2015 The Electrochemical Society. All rights reserved. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
| |
Language |
|
Wos |
000355643700030 |
Publication Date |
2015-04-29 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0013-4651;1945-7111; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.259 |
Times cited |
23 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.259; 2015 IF: 3.266 |
| |
Call Number |
c:irua:126445 |
Serial |
2903 |
| Permanent link to this record |
| |
|
| |
|
Author |
Abakumov, A.M.; Hadermann, J.; Batuk, M.; d' Hondt, H.; Tyablikov, O.A.; Rozova, M.G.; Pokholok, K.V.; Filimonov, D.S.; Sheptyakov, D.V.; Tsirlin, A.A.; Niermann, D.; Hemberger, J.; Van Tendeloo, G.; Antipov, E.V. |
| |
Title |
Slicing the Perovskite structure with crystallographic shear planes : the AnBnO3n-2 homologous series |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
| |
Volume |
49 |
Issue |
20 |
Pages |
9508-9516 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
A new AnBnO3n−2 homologous series of anion-deficient perovskites has been evidenced by preparation of the members with n = 5 (Pb2.9Ba2.1Fe4TiO13) and n = 6 (Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16) in a single phase form. The crystal structures of these compounds were determined using a combination of transmission electron microscopy and X-ray and neutron powder diffraction (S.G. Ammm, a = 5.74313(7), b = 3.98402(4), c = 26.8378(4) Å, RI = 0.035, RP = 0.042 for Pb2.9Ba2.1Fe4TiO13 and S.G. Imma, a = 5.7199(1), b = 3.97066(7), c = 32.5245(8) Å, RI = 0.032, RP = 0.037 for Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16). The crystal structures of the AnBnO3n−2 homologues are formed by slicing the perovskite structure with (01)p crystallographic shear (CS) planes. The shear planes remove a layer of oxygen atoms and displace the perovskite blocks with respect to each other by the 1/2[110]p vector. The CS planes introduce edge-sharing connections of the transition metal−oxygen polyhedra at the interface between the perovskite blocks. This results in intrinsically frustrated magnetic couplings between the perovskite blocks due to a competition of the exchange interactions between the edge- and the corner-sharing metal−oxygen polyhedra. Despite the magnetic frustration, neutron powder diffraction and Mssbauer spectroscopy reveal that Pb2.9Ba2.1Fe4TiO13 and Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16 are antiferromagnetically ordered below TN = 407 and 343 K, respectively. The Pb2.9Ba2.1Fe4TiO13 and Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16 compounds are in a paraelectric state in the 5−300 K temperature range. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Easton, Pa |
Editor |
|
| |
Language |
|
Wos |
000282783400051 |
Publication Date |
2010-09-24 |
| |
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 |
23 |
Open Access |
|
| |
Notes |
Esteem 026019; Fwo |
Approved |
Most recent IF: 4.857; 2010 IF: 4.326 |
| |
Call Number |
UA @ lucian @ c:irua:84963 |
Serial |
3041 |
| Permanent link to this record |
| |
|
| |
|
Author |
Shpanchenko, R.V.; Nistor, L.; Van Tendeloo, G.; van Landuyt, J.; Amelinckx, S. |
| |
Title |
Structural studies on new ternary oxides Ba8Ta4Ti3O24 and Ba10Ta7.04Ti1.2O30 |
Type |
A1 Journal article |
| |
Year |
1995 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| |
Volume |
114 |
Issue |
2 |
Pages |
560-574 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
The ternary oxides Ba8Ta4Ti3O24 and Ba10Ta7.04Ti1.2O30 were synthesized and their crystal structures and defects were studied by means of X-ray powder diffraction, electron diffraction, and high resolution electron microscopy. The crystal structure of Ba8Ta4Ti3O24 is based on the 8H (cchc)(2) close-packed stacking (a 10.0314 Angstrom, c = 18.869 Angstrom, SG P6(3)/mcm, Z = 3) and that of Ba10Ta7.04Ti1.2O30 and on the 10H (cchcc)(2) close-packed stacking (a = 5.7981 Angstrom, c = 23.755 Angstrom, SG P6(3)/mmc, Z = 1) of BaO3 layers. The structural refinements gave the following values for the R factors for Ba8Ta4Ti3O24 (Ba10Ta7.04Ti1.2O30) R(I) = 0.041 (0.039), R(P) = 0.108 (0.118), and R(wP) = 0.094 (0.099). The main feature of both structures is the presence of two types of face-sharing octahedra (FSO) with different occupancies by Ta atoms, Ti atoms, and vacancies, which results in the formation of a superstructure. It was shown that in the Ba8Ta4Ti3O24 structure these pairs of FSO occur in an ordered fashion and in the Ba10Ta7.04Ti1.2O30 structure in a disordered fashion. The existence of the wide range of solid solutions was shown to be also a consequence of the presence of one of the two types of face-sharing octahedra. (C) 1995 Academic Press, Inc, |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
London |
Editor |
|
| |
Language |
|
Wos |
A1995QH33100040 |
Publication Date |
2002-10-07 |
| |
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 |
2.133 |
Times cited |
23 |
Open Access |
|
| |
Notes |
|
Approved |
|
| |
Call Number |
UA @ lucian @ c:irua:13289 |
Serial |
3261 |
| Permanent link to this record |
