| Records |
| Author |
Milat, O.; Van Tendeloo, G.; Amelinckx, S.; Babu, T.G.N.; Greaves, C. |
| Title |
The modulated structure of Ca.85CuO2 as studied by means of electron diffraction and microscopy |
Type |
A1 Journal article |
| Year |
1992 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| Volume |
97 |
Issue |
2 |
Pages |
405-418 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
A1992HL68700019 |
Publication Date |
2003-12-12 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.133 |
Times cited |
15 |
Open Access |
|
| Notes |
|
Approved |
PHYSICS, APPLIED 47/145 Q2 # |
Call Number  |
UA @ lucian @ c:irua:103042 |
Serial |
3590 |
| Permanent link to this record |
| |
|
| |
| Author |
Milat, O.; Van Tendeloo, G.; Amelinckx, S.; Babu, T.G.N.; Greaves, C. |
| Title |
Structural variants of Ca0.85CuO2(Ca5+xCu6O12) |
Type |
A1 Journal article |
| Year |
1992 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| Volume |
101 |
Issue |
1 |
Pages |
92-114 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The structure of Ca0.85CuO2 was reexamined by means of electron diffraction and electron microscopy using the newly developed method of selective imaging in intergrowth structures in which the two substructures are based on different sublattices. The results of previous work are confirmed. Moreover, it is shown that two stacking variants and their twin related structures occur in the calcium substructure. The copper-oxygen substructure occurs in one variant only; it is often modulated by the various calcium arrangements, leading to phase disorder in its modulation pattern. It is shown that the ribbons of CuO4 clusters are presumably tilted with respect to the (010) plane. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
A1992JW94200012 |
Publication Date |
2006-06-12 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.133 |
Times cited |
10 |
Open Access |
|
| Notes |
|
Approved |
|
| Call Number |
UA @ lucian @ c:irua:103021 |
Serial |
3272 |
| Permanent link to this record |
| |
|
| |
| Author |
Krekels, T.; Milat, O.; Van Tendeloo, G.; Amelinckx, S.; Babu, T.G.N.; Wright, A.J.; Greaves, C. |
| Title |
Order and disorder in (Nd,Ce)nO2nSr2GaCu2O5 and YSr2CoCu2O7 |
Type |
A1 Journal article |
| Year |
1993 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| Volume |
105 |
Issue |
2 |
Pages |
313-335 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
A1993LT32700002 |
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 |
50 |
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:102965 |
Serial |
2499 |
| Permanent link to this record |
| |
|
| |
| Author |
Piedigrosso, P.; Konya, Z.; Colomer, J.-F.; Fonseca, A.; Van Tendeloo, G.; Nagy, J.B. |
| Title |
Production of differently shaped multi-wall carbon nanotubes using various cobalt supported catalysts |
Type |
A1 Journal article |
| Year |
2000 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
| Volume |
2 |
Issue |
1 |
Pages |
163-170 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Catalytic synthesis and transmission electron microscopy (TEM) of multi-wall carbon nanotubes are presented. Silica, zeolite and alumina supported cobalt catalysts were prepared by different methods (impregnation and ion-adsorption precipitation) and were used to produce nanotubes. The synthesis was carried out in a fixed bed flow reactor and the process was optimized in order to produce carbon nanotubes on a gram scale. The influence of various parameters such as the method of catalyst preparation, the nature of the support, cobalt concentration and reaction conditions on the formation of nanotubes was investigated. The carbon deposits were measured and the quality of nanotubes was determined by low and high resolution TEM. Multi-wall straight and coiled nanotubes were found to be fairly regular with an average inner (outer) diameter of 4-7 nm (8-23 nm) and with lengths up to 0.1 mm. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
| Language |
|
Wos |
000084333800025 |
Publication Date |
2002-07-26 |
| 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 |
53 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4.123; 2000 IF: 1.653 |
| Call Number |
UA @ lucian @ c:irua:102889 |
Serial |
2723 |
| Permanent link to this record |
| |
|
| |
| Author |
Nikolaev, A.V.; Michel, K.H. |
| Title |
Superexchange and electron correlations in alkali fullerides AC60, A=K, Rb, Cs |
Type |
A1 Journal article |
| Year |
2005 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
| Volume |
122 |
Issue |
6 |
Pages |
064310-64314 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Superexchange interactions in alkali fullerides AC(60) are derived for C-60 molecular ions separated by interstitial alkali-metal ions. We use a multiconfiguration approach which comprises the lowest molecular orbital states of the C-60 molecule and the excited s and d states of the alkali-metal atom A. Interactions are described by the valence bond (Heitler-London) method for a complex (C-60 – A – C-60) – with two valence electrons. The electronic charge transfer between the alkali-metal atom and a neighboring C-60 molecule is not complete. The occupation probability of excited d and s states of the alkali atom is not negligible. In correspondence with the relative positions of the C-60 molecules and A atoms in the polymer crystal, we consider 180degrees and 90degrees (angle) superexchange pathways. For the former case the ground state is found to be a spin singlet separated from a triplet at similar to20 K. For T < 20 K there appear strong spin correlations for the 180degrees superexchange pathway. The results are related to spin lattice relaxation experiments on CsC60 in the polymerized and in the quenched cubic phase. (C) 2005 American Institute of Physics. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000226918100018 |
Publication Date |
2005-02-02 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0021-9606; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.965 |
Times cited |
11 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.965; 2005 IF: 3.138 |
| Call Number |
UA @ lucian @ c:irua:102740 |
Serial |
3377 |
| Permanent link to this record |
| |
|
| |
| Author |
Thomé, T.; Colaux, J.L.; Colomer, J.-F.; Bertoni, G.; Terwagne, G. |
| Title |
Formation of carbon nitride nanospheres by ion implantation |
Type |
A1 Journal article |
| Year |
2007 |
Publication |
Materials chemistry and physics |
Abbreviated Journal |
Mater Chem Phys |
| Volume |
103 |
Issue |
2-3 |
Pages |
290-294 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Carbon nitride nanospheres have been synthesized into copper by simultaneous high fluence (10(18) at. cm(-2)) implantations of C-12 and N-15 ions. The composition of the implanted region has been measured using C-12(d,p(0))C-13 and N-15(d,alpha(0))C-13 nuclear reactions induced by a 1.05 MeV deuteron beam. The C-12 and N-15 depth profiles are very close and the retained doses into copper are relatively high, which indicates that carbon and nitrogen diffusion processes are likely limited during implantation. High resolution transmission electron microscopy (HRTEM) observations and electron diffraction (ED) analyses have been carried out to determine the structure of the nanospheres formed during implantation. Some consist in small hollow amorphous nanocapsules with sizes ranging from 30 to 100 nm. Large gas bubbles with diameters up to 300 mn have also been observed in the copper matrix. Electron energy-loss spectroscopy (EELS) measurements performed on the small nanocapsules indicate that their shells are composed of carbon and nitrogen. (c) 2007 Elsevier B.V. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Lausanne |
Editor |
|
| Language |
|
Wos |
000247715300016 |
Publication Date |
2007-02-25 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0254-0584; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.084 |
Times cited |
1 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.084; 2007 IF: 1.871 |
| Call Number |
UA @ lucian @ c:irua:102670 |
Serial |
1258 |
| Permanent link to this record |
| |
|
| |
| Author |
Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R. |
| Title |
Ab initio study of the spectroscopy, kinetics, and thermochemistry of the C2N and CN2 molecules |
Type |
A1 Journal article |
| Year |
1994 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
| Volume |
226 |
Issue |
5/6 |
Pages |
475-483 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Several structures and electronic states of the C2N and CN2 molecules have been studied using complete active space SCF (CASSCF), multireference configuration interaction (MRCI), and coupled cluster (CCSD(T)) methods. Both molecules are very stable. Our best computed total atomization energies SIGMAD(e) are 288.6 +/- 2 kcal/mol for CN2, and 294.1 +/- 2 kcal/mol for C2N. The CNC and CCN structures for C2N are nearly isoenergetic. CNN(3PI) lies about 30 kcal/mol above NCN(3PI(g)), but has a high barrier towards interconversion and is therefore observed experimentally. Computed harmonic frequencies for CNN are sensitive to the correlation treatment: they are reproduced well using multireference methods as well as the CCSD(T) method. High spin contamination has a detrimental effect on computed harmonic frequencies at the CCSD(T) level. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
A1994PE00500008 |
Publication Date |
2002-07-25 |
| 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 |
1.897 |
Times cited |
46 |
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:10256 |
Serial |
37 |
| Permanent link to this record |
| |
|
| |
| Author |
Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R. |
| Title |
Ab initio study of the spectroscopy, kinetics, and thermochemistry of the BN2 molecule |
Type |
A1 Journal article |
| Year |
1994 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
| Volume |
222 |
Issue |
|
Pages |
517-523 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
A1994NN02600016 |
Publication Date |
2002-07-25 |
| 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 |
1.897 |
Times cited |
14 |
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:10255 |
Serial |
36 |
| Permanent link to this record |
| |
|
| |
| Author |
Charkin, D.O.; Urmanov, A.V.; Kazakov, S.M.; Batuk, D.; Abakumov, A.M.; Knöner, S.; Gati, E.; Wolf, B.; Lang, M.; Shevelkov, A.V.; Van Tendeloo, G.; Antipov, E.V.; |
| Title |
Synthesis, crystal structure, transport, and magnetic properties of novel ternary copper phosphides, A2Cu6P5(A = Sr, Eu) and EuCu4P3 |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
| Volume |
51 |
Issue |
16 |
Pages |
8948-8955 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Three new ternary copper phosphides, Sr2Cu6P5, Eu2Cu6P5, and EuCu4P3, have been synthesized from the elements in evacuated silica capsules. Eu2Cu6P5 and Sr2Cu6P5 adopt the Ca2Cu6P5-type structure, while EuCu4P3 is isostructural to BaMg4Si3 and still remains the only representative of this structure type among the ternary Cu pnictides. All three materials show metallic conductivity in the temperature range 2 K <= T <= 290 K, with no indication for superconductivity. For Eu2Cu6P5 and EuCu4P3, long-range magnetic order was observed, governed by 4f local moments on the Eu atoms with predominant ferromagnetic interactions. While Eu2Cu6P5 shows a single ferromagnetic transition at T-C = 34 K, the magnetic behavior of EuCu4P3 is more complex, giving rise to three consecutive magnetic phase transitions at 70, 43, and 18 K. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Easton, Pa |
Editor |
|
| Language |
|
Wos |
000307606200042 |
Publication Date |
2012-07-31 |
| 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 |
13 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4.857; 2012 IF: 4.593 |
| Call Number |
UA @ lucian @ c:irua:102217 |
Serial |
3453 |
| Permanent link to this record |
| |
|
| |
| Author |
Khalilov, U.; Pourtois, G.; van Duin, A.C.T.; Neyts, E.C. |
| Title |
On the c-Si\mid a-SiO2 interface in hyperthermal Si oxidation at room temperature |
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 |
41 |
Pages |
21856-21863 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The exact structure and properties of the Si vertical bar SiO2 interface are very important in microelectronics and photovoltaic devices such as metal-oxide-semiconductor field-effect transistors (MOSFETs) and solar cells. Whereas Si vertical bar SiO2 structures are traditionally produced by thermal oxidation, hyperthermal oxidation shows a number of promising advantages. However, the Si vertical bar SiO2 interface induced in hyperthermal Si oxidation has not been properly investigated yet. Therefore, in this work, the interface morphology and interfacial stresses during hyperthermal oxidation at room temperature are studied using reactive molecular dynamics simulations based on the ReaxFF potential. Interface thickness and roughness, as well as the bond length and bond angle distributions in the interface are discussed and compared with other models developed for the interfaces induced by traditional thermal oxidation. The formation of a compressive stress is observed. This compressive stress, which at the interface amounts about 2 GPa, significantly slows down the inward silica growth. This value is close to the experimental value in the Si vertical bar SiO2 interface obtained in traditional thermal oxidation. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
|
Wos |
000309902100026 |
Publication Date |
2012-09-26 |
| 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 |
27 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4.536; 2012 IF: 4.814 |
| Call Number |
UA @ lucian @ c:irua:102167 |
Serial |
2458 |
| Permanent link to this record |
| |
|
| |
| 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 |
Sivek, J.; Leenaerts, O.; Partoens, B.; Peeters, F.M. |
| Title |
First-principles investigation of bilayer fluorographene |
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 |
36 |
Pages |
19240-19245 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Ab initio calculations within the density functional theory formalism are performed to investigate the stability and electronic properties of fluorinated bilayer graphene (bilayer fluorographene). A comparison is made to previously investigated graphane, bilayer graphane, and fluorographene. Bilayer fluorographene is found to be a much more stable material than bilayer graphane. Its electronic band structure is similar to that of monolayer fluorographene, but its electronic band gap is significantly larger (about 1 eV). We also calculate the effective masses around the Gamma-point for fluorographene and bilayer fluorographene and find that they are isotropic, in contrast to earlier reports. Furthermore, it is found that bilayer fluorographene is almost as strong as graphene, as its 2D Young's modulus is approximately 300 N m(-1). |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
|
Wos |
000308631300022 |
Publication Date |
2012-08-21 |
| 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 |
39 |
Open Access |
|
| Notes |
; This work is supported by the ESF-Eurocores program EuroGRAPHENE (project CONERAN) and the Flemish Science Foundation (FWO-V1). ; |
Approved |
Most recent IF: 4.536; 2012 IF: 4.814 |
| Call Number |
UA @ lucian @ c:irua:101842 |
Serial |
1211 |
| Permanent link to this record |
| |
|
| |
| Author |
Saniz, R.; Xu, Y.; Matsubara, M.; Amini, M.N.; Dixit, H.; Lamoen, D.; Partoens, B. |
| Title |
A simplified approach to the band gap correction of defect formation energies : Al, Ga, and In-doped ZnO |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
The journal of physics and chemistry of solids |
Abbreviated Journal |
J Phys Chem Solids |
| Volume |
74 |
Issue |
1 |
Pages |
45-50 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
| Abstract |
The calculation of defect levels in semiconductors within a density functional theory approach suffers greatly from the band gap problem. We propose a band gap correction scheme that is based on the separation of energy differences in electron addition and relaxation energies. We show that it can predict defect levels with a reasonable accuracy, particularly in the case of defects with conduction band character, and yet is simple and computationally economical. We apply this method to ZnO doped with group III elements (Al, Ga, In). As expected from experiment, the results indicate that Zn substitutional doping is preferred over interstitial doping in Al, Ga, and In-doped ZnO, under both zinc-rich and oxygen-rich conditions. Further, all three dopants act as shallow donors, with the +1 charge state having the most advantageous formation energy. Also, doping effects on the electronic structure of ZnO are sufficiently mild so as to affect little the fundamental band gap and lowest conduction bands dispersion, which secures their n-type transparent conducting behavior. A comparison with the extrapolation method based on LDA+U calculations and with the HeydScuseriaErnzerhof hybrid functional (HSE) shows the reliability of the proposed scheme in predicting the thermodynamic transition levels in shallow donor systems. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000311062500009 |
Publication Date |
2012-08-10 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-3697; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.059 |
Times cited |
36 |
Open Access |
|
| Notes |
Fwo; Bof-Nio |
Approved |
Most recent IF: 2.059; 2013 IF: 1.594 |
| Call Number |
UA @ lucian @ c:irua:101782 |
Serial |
3004 |
| Permanent link to this record |
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| |
| Author |
Li, M.R.; Retuerto, M.; Bok Go, Y.; Emge, T.J.; Croft, M.; Ignatov, A.; Ramanujachary, K.V.; Dachraoui, W.; Hadermann, J.; Tang, M.B.; Zhao, J.T.; Greenblatt, M.; |
| Title |
Synthesis, crystal structure, and properties of KSbO3-type Bi3Mn1.9Te1.1O11 |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| Volume |
197 |
Issue |
|
Pages |
543-549 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Single crystals of Bi3Mn1.9Te1.1O11 were prepared from NaCl+KCl flux. This compound adopts KSbO3-type crystal structure as evidenced by electron and single crystal X-ray diffraction analysis. The three-dimensional channel structure is formed by corner-sharing octahedral (Mn0.63Te0.37)2O10 dimers and two identical (Bi1)4(Bi2)2 interpenetrating lattices. The intra-dimer Mn/TeMn/Te distances in Bi3Mn1.9Te1.1O11 are short and are consistent with weak metalmetal interactions. The mixed oxidation state of manganese and the edge-sharing octahedral features are confirmed by X-ray near edge absorption spectroscopy measurements, which indicate Bi3(MnIII1.1MnIV0.8)TeVI1.1O11 with 57.7% Mn3+ and 42.3% Mn4+. The partial substitution of Te for Mn perturbs long-range magnetic interactions, thereby destroying the ferromagnetic ordering found in Bi3Mn3O11 (TC=150 K). |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
London |
Editor |
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| Language |
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Wos |
000312281000076 |
Publication Date |
2012-07-25 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.299 |
Times cited |
13 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.299; 2013 IF: 2.200 |
| Call Number |
UA @ lucian @ c:irua:101779 |
Serial |
3452 |
| Permanent link to this record |
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| |
| Author |
Aerts, R.; Martens, T.; Bogaerts, A. |
| Title |
Influence of vibrational states on CO2 splitting by dielectric barrier discharges |
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 |
44 |
Pages |
23257-23273 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
In this paper, the splitting of CO2 in a pulsed plasma system, such as a dielectric barrier discharge (DBD), is evaluated from a chemical point of view by means of numerical modeling. For this purpose, a chemical reaction set of CO2 in an atmospheric pressure plasma is developed, including the vibrational states of CO2, O2, and CO. The simulated pulses are matched to the conditions of a filament (or microdischarge) and repeated with intervals of 1 μs. The influence of vibrationally excited CO2 as well as other neutral species, ions, and electrons on the CO2 splitting is discussed. Our calculations predict that the electrons have the largest contribution to the CO2 splitting at the conditions under study, by electron impact dissociation. The contribution of vibrationally excited CO2 levels in the splitting of CO2 is found be 6.4%, when only considering one microdischarge pulse and its afterglow, but it can be much higher for consecutive discharge pulses, as is typical for a filamentary DBD, when the interpulse time is short enough and accumulation effects in the vibrationally excited CO2 densities can occur. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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| Language |
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Wos |
000310769300012 |
Publication Date |
2012-10-19 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.536 |
Times cited |
112 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4.536; 2012 IF: 4.814 |
| Call Number |
UA @ lucian @ c:irua:101764 |
Serial |
1659 |
| Permanent link to this record |
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| |
| Author |
Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C. |
| Title |
Plasma species interacting with nickel surfaces : toward an atomic scale understanding of plasma-catalysis |
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 |
39 |
Pages |
20958-20965 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The adsorption probability and reaction behavior of CHx plasma species on various nickel catalyst surfaces is investigated by means of reactive molecular dynamics (MD) simulations using the ReaxFF potential. Such catalysts are used in the reforming of hydrocarbons and in the growth of carbon nanotubes, and further insight in the underlying mechanisms of these processes is needed to increase their applicability. Single and consecutive impacts of CHx radicals (x={1,2,3}) were performed on four different Ni surfaces, at a temperature of 400 K. The adsorption probability is shown to be related to the number of free electrons, i.e. a higher number leads to more adsorptions, and the steric hindrance caused by the hydrogen atoms bonded to the impacting CHx species. Furthermore, some of the CH bonds break after adsorption, which generally leads to diffusion of the hydrogen atom over the surface. Additionally, these adsorbed H-atoms can be used in reactions to form new molecules, such as CH4 and C2Hx, although this is dependent on the precise morphology of the surface. New molecules are also formed by subtraction of H-atoms from adsorbed radicals, leading to occasional formation of H2 and C2Hx molecules. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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| Language |
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Wos |
000309375700040 |
Publication Date |
2012-09-10 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.536 |
Times cited |
37 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4.536; 2012 IF: 4.814 |
| Call Number |
UA @ lucian @ c:irua:101522 |
Serial |
2640 |
| Permanent link to this record |
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| |
| Author |
Retuerto, M.; Li, M.R.; Go, Y.B.; Ignatov, A.; Croft, M.; Ramanujachary, K.V.; Herber, R.H.; Nowik, I.; Hodges, J.P.; Dachraoui, W.; Hadermann, J.; Greenblatt, M.; |
| Title |
High magnetic ordering temperature in the perovskites Sr4-xLaxFe3ReO12 (x=0.0, 1.0, 2.0) |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| Volume |
194 |
Issue |
|
Pages |
48-58 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
A series of perovskites Sr4−xLaxFe3ReO12 (x=0.0, 1.0, 2.0) has been prepared by wet chemistry methods. The structure analyses by powder X-ray and neutron diffraction and electron microscopy show that these compounds adopt simple perovskite structures without cation ordering over the B sites: tetragonal (I4/mcm) for x=0.0 and 1.0 and orthorhombic (Pbmn) for x=2.0. The oxidation states of the cations in the compound with x=0.0 appear to be Fe3+/4+ and Re7+ and decrease for both with La substitution as evidenced by X-ray absorption spectroscopy. All the compounds are antiferromagnetically ordered above room temperature, as demonstrated by Mössbauer spectroscopy and the magnetic structures, which were determined by powder neutron diffraction. The substitution of Sr by La strongly affects the magnetic properties with an increase of TN up to ∼750 K. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
London |
Editor |
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| Language |
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Wos |
000308896400009 |
Publication Date |
2012-07-02 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.299 |
Times cited |
9 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.299; 2012 IF: 2.040 |
| Call Number |
UA @ lucian @ c:irua:101220 |
Serial |
1435 |
| Permanent link to this record |
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| Author |
Maignan, A.; Martin, C.; Singh, K.; Simon, C.; Lebedev, O.I.; Turner, S. |
| Title |
From spin induced ferroelectricity to dipolar glasses : spinel chromites and mixed delafossites |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| Volume |
195 |
Issue |
|
Pages |
41-49 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Magnetoelectric multiferroics showing coupling between polarization and magnetic order are attracting much attention. For instance, they could be used in memory devices. Metal-transition oxides are provided several examples of inorganic magnetoelectric multiferroics. In the present short review, spinel and delafossite chromites are described. For the former, an electric polarization is evidenced in the ferrimagnetic state for ACr2O4 polycrystalline samples (A=Ni, Fe, Co). The presence of a JahnTeller cation such as Ni2+ at the A site is shown to yield larger polarization values. In the delafossites, substitution by V3+ at the Cr or Fe site in CuCrO2 (CuFeO2) suppresses the complex antiferromagnetic structure at the benefit of a spin glass state. The presence of cation disorder, probed by transmission electron microscopy, favors relaxor-like ferroelectricity. The results on the ferroelectricity of ferrimagnets and insulating spin glasses demonstrate that, in this research field, transition-metal oxides are worth to be studied. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
London |
Editor |
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| Language |
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Wos |
000309783600006 |
Publication Date |
2012-02-09 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.299 |
Times cited |
27 |
Open Access |
|
| Notes |
Fwo |
Approved |
Most recent IF: 2.299; 2012 IF: 2.040 |
| Call Number |
UA @ lucian @ c:irua:101219 |
Serial |
1286 |
| Permanent link to this record |
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| Author |
Phung, Q.M.; Vancoillie, S.; Delabie, A.; Pourtois, G.; Pierloot, K. |
| Title |
Ruthenocene and cyclopentadienyl pyrrolyl ruthenium as precursors for ruthenium atomic layer deposition : a comparative study of dissociation enthalpies |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Theoretical chemistry accounts : theory, computation, and modeling |
Abbreviated Journal |
Theor Chem Acc |
| Volume |
131 |
Issue |
7 |
Pages |
1238 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
RuCp2 (ruthenocene) and RuCpPy (cyclopentadienyl pyrrolyl ruthenium) complexes are used in ruthenium (Ru) atomic layer deposition (ALD) but exhibit a markedly different reactivity with respect to the substrate and co-reactant. In search of an explanation, we report here the results of a comparative study of the heterolytic and homolytic dissociation enthalpy of these two ruthenium complexes, making use of either density functional theory (DFT) or multiconfigurational perturbation theory (CASPT2). While both methods predict distinctly different absolute dissociation enthalpies, they agree on the relative values between both molecules. A reduced heterolytic dissociation enthalpy is obtained for RuCpPy compared to RuCp2, although the difference obtained from CASPT2 (19.9 kcal/mol) is slightly larger than the one obtained with any of the DFT functionals (around 17 kcal/mol). Both methods also agree on the more pronounced stability of the Cp- ligand in RuCpPy than in RuCp2 (by around 9 kcal/mol with DFT and by 6 kcal/mol with CASPT2). |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000307274300003 |
Publication Date |
2012-07-07 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
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Edition |
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| ISSN |
1432-881X;1432-2234; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.89 |
Times cited |
5 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.89; 2012 IF: 2.233 |
| Call Number |
UA @ lucian @ c:irua:101139 |
Serial |
2935 |
| Permanent link to this record |
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| |
| Author |
Napolsky, P.S.; Drozhzhin, O.A.; Istomin, S.Y.; Kazakov, S.M.; Antipov, E.V.; Galeeva, A.V.; Gippius, A.A.; Svensson, G.; Abakumov, A.M.; Van Tendeloo, G. |
| Title |
Structure and high-temperature properties of the (Sr,Ca,Y)(Co,Mn)O3-y perovskites – perspective cathode materials for IT-SOFC |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| Volume |
192 |
Issue |
|
Pages |
186-194 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Oxygen deficient perovskites Sr0.75Y0.25Co1-xMnxO3-y, x=0.5 and 0.75, were prepared by using the citrate route at 1373-1573 K for 48 h. The cubic Pm-3m perovskite structure for x=0.5 was confirmed by electron diffraction study and refined using neutron powder diffraction (NPD) data. For x=0.75, the superstructure corresponding to a=root 2 x a(per), b=2 x a(per), c=root 2 x a(per) (a(0)b(-)b(-) tilt system, space group Imma) was revealed by electron diffraction. The solid solution Sr0.75-xCaxY0.25Co0.25Mn0.75O3-y, 0.1 <= x <= 0.6 and compound Ca0.75Y0.25Mn0.85Co0.15O2.92 were prepared in air at 1573 K for 48 h. The crystal structure of Ca0.75Y0.25Mn0.85Co0.15O2.92 was refined using NPD data (S.G. Pnma, a=5.36595(4), b=7.5091(6), c=5.2992(4) angstrom, R-p=0.057, R-wp=0.056, chi(2)=4.26). High-temperature thermal expansion properties of the prepared compounds were studied in air using both dilatometry and high-temperature X-ray powder diffraction data (HTXRPD). They expanding non-linearly at 298-1073 K due to the loss of oxygen at high temperatures. Calculated average thermal expansion coefficients (TECs) for Sr0.75Y0.25Co1-xMnxO3-y, x=0.5, 0.75 and Ca0.75Y0.25Mn0.85Co0.15O2.92(1) are 15.5, 15.1, and 13.8 ppm K-1, respectively. Anisotropy of the thermal expansion along different unit cell axes was observed for Sr0.15Ca0.6Y0.25Co0.25Mn0.75O3-y, and Ca0.75Y0.25Mn0.85Co0.15O2.92. Conductivity of Sr0.75Y0.25Co1-xMnxO3-y, x=0.5 and 0.75 increases with the temperature reaching 110 S/cm for x=0.5 and 44 S/cm for x=0.75 at 1173 K. Samples of Sr0.75-xCaxY0.25Co0.25Mn0.75O3-y, 0.1 <= y <= 0.6 were found to be n-type conductors at room temperature with the similar temperature dependence of the conductivity and demonstrated the increase of the sigma value from similar to 1 to similar to 50 S/cm as the temperature increases from 300 to 1173 K. Their conductivity is described in terms of the small polaron charge transport with the activation energy (E-p) increasing from 340 to 430 meV with an increase of the calcium content from x=0 to x=0.6. (C) 2012 Elsevier Inc. All rights reserved. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
London |
Editor |
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| Language |
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Wos |
000307028300030 |
Publication Date |
2012-03-31 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.299 |
Times cited |
5 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.299; 2012 IF: 2.040 |
| Call Number |
UA @ lucian @ c:irua:101119 |
Serial |
3279 |
| Permanent link to this record |
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| |
| Author |
Quintana, M.; Grzelczak, M.; Spyrou, K.; Calvaresi, M.; Bals, S.; Kooi, B.; Van Tendeloo, G.; Rudolf, P.; Zerbetto, F.; Prato, M. |
| Title |
A simple road for the transformation of few-layer graphene into MWNTs |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
| Volume |
134 |
Issue |
32 |
Pages |
13310-13315 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
We report the direct formation of multiwalled carbon nanotubes (MWNT) by ultrasonication of graphite in dimethylformamide (DMF) upon addition of ferrocene aldehyde (Fc-CHO). The tubular structures appear exclusively at the edges of graphene layers and contain Fe clusters. Pc in conjunction with benzyl aldehyde, or other Fc derivatives, does not induce formation of NT. Higher amounts of Fc-CHO added to the dispersion do not increase significantly MWNT formation. Increasing the temperature reduces the amount of formation of MWNTs and shows the key role of ultrasound-induced cavitation energy. It is concluded that Fc-CHO first reduces the concentration of radical reactive species that slice graphene into small moieties, localizes itself at the edges of graphene, templates the rolling up of a sheet to form a nanoscroll, where it remains trapped, and finally accepts and donates unpaired electron to the graphene edges and converts the less stable scroll into a MWNT. This new methodology matches the long held notion that CNTs are rolled up graphene layers. The proposed mechanism is general and will lead to control the production of carbon nanostructures by simple ultrasonication treatments. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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| Language |
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Wos |
000307487200034 |
Publication Date |
2012-05-08 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0002-7863;1520-5126; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
13.858 |
Times cited |
56 |
Open Access |
|
| Notes |
This work was supported by the University of Trieste, the Italian Ministry of Education MIUR (cofin Prot. 20085M27SS), the European Union through the ERC grant No. 246791 – COUNTATOMS, the grant agreement for an Integrated Infrastructure Initiative N. 262348 ESMI, and the “Graphene-based electronics” research program of the Foundation for Fundamental Research on Matter (FOM). |
Approved |
Most recent IF: 13.858; 2012 IF: 10.677 |
| Call Number |
UA @ lucian @ c:irua:101109 |
Serial |
3003 |
| Permanent link to this record |
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| |
| Author |
Adamson, P.; Hadermann, J.; Smura, C.F.; Rutt, O.J.; Hyett, G.; Free, D.G.; Clarke, S.J. |
| Title |
Competing magnetic structures and the evolution of copper ion/vacancy ordering with composition in the manganite oxide chalcogenides Sr2MnO2Cu1.5(S1-xSex)2 |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| Volume |
24 |
Issue |
14 |
Pages |
2802-2816 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The series Sr2MnO2Cu1.5(S1-xSex)(2) (0 <= x <= 1) contains mixed-valent Mn ions (Mn2+/Mn3+) in MnO2 sheets which are separated by copper-deficient antifluorite-type Cu(2-delta)Ch(2) layers with delta similar to 0.5. The compounds crystallize in the structure type first described for Sr2Mn3Sb2O2 and are described in the I4/mmm space group at ambient temperatures. Below about 250 K, ordering between Cu+ ions and tetrahedral vacancies occurs which is long-range and close to complete in the sulfide-containing end member of the series Sr2MnO2Cu1.5S2 but which occurs over shorter length scales as the selenide content increases. The superstructure is an orthorhombic 2 root 2a x root 2a x c expansion in Ibam of the room temperature cell. For x > 0.3 there are no superstructure reflections evident in the X-ray or neutron diffraction patterns, and the I4/mmm description is valid for the average structure at all temperatures. However, in the pure selenide end member, Sr2MnO2Cu1.5Se2, diffuse scattering in electron diffractograms and modulation in high resolution lattice image profiles may arise from short-range Cu/vacancy order. All members of the series exhibit long-range magnetic order. In the sulfide-rich end member and in compounds with x < 0.1 in the formula Sr2MnO2Cu1.5(S1-xSex)(2), which show well developed superstructures due to long-range Cu/vacancy order, the magnetic structure has a (1/4 1/4 0) propagation vector in which ferromagnetic zigzag chains of Mn moments in the MnO2 sheets are coupled antiferromagnetically in an arrangement described as the CE-type magnetic structure and found in many mixed-valent perovskite and Ruddlesden-Popper type oxide manganites. In these cases the magnetic cell is an a x 2b x c expansion of the low temperature Ibam structural cell. For x >= 0.2 in the formula Sr2MnO2Cu1.5(S1-xSex)(2) the magnetic structure has a (0 0 0) propagation vector and is similar to the A-type structure, also commonly adopted by some perovskite-related manganites, in which the Mn moments in the MnO2 sheets are coupled ferromagnetically and long-range antiferromagnetic order results from antiferromagnetic coupling between planes. In the region of the transition between the two different structural and magnetic long-range ordering schemes (0.1 < x < 0.2) the two magnetic structures coexist in the same sample. The evolution of the competition between magnetic ordering schemes and the length scale of the structural order with composition in Sr2MnO2Cu1.5(S1-xSex)(2) suggest that the changes in magnetic and structural order are related consequences of the introduction of chemical disorder. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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| Language |
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Wos |
000306674200024 |
Publication Date |
2012-06-20 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
9.466 |
Times cited |
11 |
Open Access |
|
| Notes |
Esteem 026019 |
Approved |
Most recent IF: 9.466; 2012 IF: 8.238 |
| Call Number |
UA @ lucian @ c:irua:100839 |
Serial |
435 |
| Permanent link to this record |
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| |
| Author |
Kalidindi, S.B.; Hyunchul, O.; Hirscher, M.; Esken, D.; Wiktor, C.; Turner, S.; Van Tendeloo, G.; Fischer, R.A. |
| Title |
Metal@COFs : covalent organic frameworks as templates for Pd nanoparticles and hydrogen storage properties of Pd@COF-102 hybrid material |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Chemistry: a European journal |
Abbreviated Journal |
Chem-Eur J |
| Volume |
18 |
Issue |
35 |
Pages |
10848-10856 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Three-dimensional covalent organic frameworks (COFs) have been demonstrated as a new class of templates for nanoparticles. Photodecomposition of the [Pd(eta 3-C3H5)(eta 5-C5H5)]@COF-102 inclusion compound (synthesized by a gas-phase infiltration method) led to the formation of the Pd@COF-102 hybrid material. Advanced electron microscopy techniques (including high-angle annular dark-field scanning transmission electron microscopy and electron tomography) along with other conventional characterization techniques unambiguously showed that highly monodisperse Pd nanoparticles ((2.4 +/- 0.5) nm) were evenly distributed inside the COF-102 framework. The Pd@COF-102 hybrid material is a rare example of a metal-nanoparticle-loaded porous crystalline material with a very narrow size distribution without any larger agglomerates even at high loadings (30 wt %). Two samples with moderate Pd content (3.5 and 9.5 wt %) were used to study the hydrogen storage properties of the metal-decorated COF surface. The uptakes at room temperature from these samples were higher than those of similar systems such as Pd@metalorganic frameworks (MOFs). The studies show that the H2 capacities were enhanced by a factor of 2-3 through Pd impregnation on COF-102 at room temperature and 20 bar. This remarkable enhancement is not just due to Pd hydride formation and can be mainly ascribed to hydrogenation of residual organic compounds, such as bicyclopentadiene. The significantly higher reversible hydrogen storage capacity that comes from decomposed products of the employed organometallic Pd precursor suggests that this discovery may be relevant to the discussion of the spillover phenomenon in metal/MOFs and related systems. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
| Language |
|
Wos |
000307782800013 |
Publication Date |
2012-08-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0947-6539; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
5.317 |
Times cited |
88 |
Open Access |
|
| Notes |
Fwo |
Approved |
Most recent IF: 5.317; 2012 IF: 5.831 |
| Call Number |
UA @ lucian @ c:irua:100469 |
Serial |
2007 |
| Permanent link to this record |
| |
|
| |
| Author |
Rykov, A.; Caignaert, V.; Van Tendeloo, G.; Greneche, J.M.; Studer, F.; Nguyen, N.; Ducouret, A.; Bonville, P.; Raveau, B. |
| Title |
Structural aspects and antiferromagnetic ordering in the “123” derivative LnSr2Cu2Ga1-xFexO7-\delta (Ln = Y, Ho) |
Type |
A1 Journal article |
| Year |
1994 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| Volume |
113 |
Issue |
|
Pages |
94-108 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
A1994PP02200014 |
Publication Date |
0000-00-00 |
| 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 |
9 |
Open Access |
|
| Notes |
|
Approved |
|
| Call Number |
UA @ lucian @ c:irua:10037 |
Serial |
3204 |
| Permanent link to this record |
| |
|
| |
| Author |
Shpanchenko, R.V.; Nistor, L.; Van Tendeloo, G.; Amelinckx, S.; Antipov, E.V.; Kovba, L.M. |
| Title |
High resolution electron microscopic study of Ba7Sc6Al2O19 and related phases |
Type |
A1 Journal article |
| Year |
1994 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| Volume |
113 |
Issue |
|
Pages |
193-203 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
A1994PP02200027 |
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 |
3 |
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:10036 |
Serial |
1443 |
| Permanent link to this record |
| |
|
| |
| Author |
Hervieu, M.; Pelloquin, D.; Michel, C.; Van Tendeloo, G.; Raveau, B. |
| Title |
Structural characteristics of the 40K superconductor Bi2Sr5Cu3(CO3)2O10: a HREM study |
Type |
A1 Journal article |
| Year |
1994 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| Volume |
112 |
Issue |
|
Pages |
139-147 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
A1994PG30500024 |
Publication Date |
0000-00-00 |
| 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 |
5 |
Open Access |
|
| Notes |
|
Approved |
|
| Call Number |
UA @ lucian @ c:irua:10034 |
Serial |
3216 |
| Permanent link to this record |
| |
|
| |
| Author |
Wee, L.H.; Wiktor, C.; Turner, S.; Vanderlinden, W.; Janssens, N.; Bajpe, S.R.; Houthoofd, K.; Van Tendeloo, G.; De Feyter, S.; Kirschhock, C.E.A.; Martens, J.A.; |
| Title |
Copper benzene tricarboxylate metal-organic framework with wide permanent mesopores stabilized by keggin polyoxometallate ions |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
| Volume |
134 |
Issue |
26 |
Pages |
10911-10919 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Porous solids with organized multiple porosity are of scientific and technological importance for broadening the application range from traditional areas of catalysis and adsorption/separation to drug release and biomedical imaging. Synthesis of crystalline porous materials offering a network of uniform micro- and mesopores remains a major scientific challenge. One strategy is based on variation of synthesis parameters of microporous networks, such as, for example, zeolites or metal organic frameworks (MOFs). Here, we show the rational development of an hierarchical variant of the microporous cubic Cu-3(BTC)(2) (BTC = 1,3,5-benzenetricarboxylate) HKUST-1 MOF having strictly repetitive S inn wide mesopores separated by uniform microporous walls in a single crystal structure. This new material coined COK-15 (COK = Centrum voor Oppervlaktechemie en Katalyse) was synthesized via a dual-templating approach. Stability was enhanced by Keggin type phosphotungstate (HPW) systematically occluded in the cavities constituting the walls between the mesopores. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
|
Wos |
000305863900037 |
Publication Date |
2012-06-06 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0002-7863;1520-5126; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
13.858 |
Times cited |
83 |
Open Access |
|
| Notes |
Iap; Fwo |
Approved |
Most recent IF: 13.858; 2012 IF: 10.677 |
| Call Number |
UA @ lucian @ c:irua:100330 |
Serial |
514 |
| Permanent link to this record |
| |
|
| |
| Author |
Van Tendeloo, G.; Domengès, B.; Caldes, M.T.; Hervieu, M.; Raveau, B. |
| Title |
Structural aspects of Li-doped tubular bismuth cuprates (Bi2Sr3Cu2-xLixOy): an electron microscopy study |
Type |
A1 Journal article |
| Year |
1994 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| Volume |
112 |
Issue |
|
Pages |
161-169 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
A1994PG30500027 |
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-4596 |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
| Impact Factor |
2.133 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
|
| Call Number |
UA @ lucian @ c:irua:10033 |
Serial |
3208 |
| Permanent link to this record |
| |
|
| |
| Author |
Nistor, L.C.; Van Tendeloo, G.; Amelinckx, S. |
| Title |
Defects and phase transformation in monclinic natural hollandite: BaxMn8O16 |
Type |
A1 Journal article |
| Year |
1994 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| Volume |
109 |
Issue |
|
Pages |
152-165 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
A1994MY48800024 |
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| 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 |
13 |
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:10023 |
Serial |
626 |
| Permanent link to this record |
| |
|
| |
| Author |
Van Tendeloo, G.; Amelinckx, S.; Darriet, B.; Bontchev, R.; Darriet, J.; Weill, F. |
| Title |
Structural considerations and HREM on LanTin-\deltaO3n (n≥4δ) |
Type |
A1 Journal article |
| Year |
1994 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| Volume |
108 |
Issue |
|
Pages |
314-335 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
A1994MU65200016 |
Publication Date |
0000-00-00 |
| 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 |
29 |
Open Access |
|
| Notes |
|
Approved |
|
| Call Number |
UA @ lucian @ c:irua:10022 |
Serial |
3227 |
| Permanent link to this record |
