| |
Records |
Links |
|
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 |
Cai, Z.L.; Martin, J.M.L.; François, J.P.; Gijbels, R. |
|
| |
Title |
Ab initio study of the X2\Sigma+ and A 2\Pi states of the SiN radical |
Type |
A1 Journal article |
| |
Year |
1996 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
|
| |
Volume |
252 |
Issue |
5/6 |
Pages |
398-404 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
The equilibrium bond length, harmonic frequency, first and second order anharmonicity constants, rotational and centrifugal distortion constants, as well as the rotation-vibrational and centrifugal coupling constants for the ground X(2) Sigma(+) and first excited A(2) Pi states of the SiN radical have been calculated at the complete active space SCF (CASSCF), multireference CI (MRCI) and coupled cluster (CCSD(T)) levels using Dunning's correlation-consistent basis sets. The excitation energy of the A(2) Pi State has also been computed at these theoretical levels. Dipole moments of SiN in the X(2) Sigma(+) and A(2) Pi states are given. Our study shows that core correlation must be considered in order to obtain satisfactory accuracy for the spectroscopic constants. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
| |
Language |
|
Wos |
A1996UJ45000017 |
Publication Date |
2003-05-12 |
|
| |
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 |
28 |
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:12328 |
Serial |
40 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
|
| |
Title |
Potential energy surface of B4 and the total atomization energies of B2, B3 and B4 |
Type |
A1 Journal article |
| |
Year |
1992 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
|
| |
Volume |
189 |
Issue |
6 |
Pages |
529-536 |
|
| |
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 |
A1992HF18100008 |
Publication Date |
0000-00-00 |
|
| |
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 |
50 |
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:4193 |
Serial |
2685 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Bartolome, E.; Cayado, P.; Solano, E.; Mocuta, C.; Ricart, S.; Mundet, B.; Coll, M.; Gazquez, J.; Meledin, A.; Van Tendeloo, G.; Valvidares, S.M.; Herrero-Martin, J.; Gargiani, P.; Pellegrin, E.; Magen, C.; Puig, T.; Obradors, X. |
|
| |
Title |
Hybrid YBa2Cu3O7 superconducting-ferromagnetic nanocomposite thin films prepared from colloidal chemical solutions |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Advanced Electronic Materials |
Abbreviated Journal |
Adv Electron Mater |
|
| |
Volume |
3 |
Issue |
7 |
Pages |
1700037 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
High T-c superconductor-ferromagnetic heterostructures constitute an appealing playground to study the interplay between flux vortices and magnetic moments. Here, the capability of a solution-derived route to grow hybrid YBa2Cu3O7-ferromagnetic nanocomposite epitaxial thin films from preformed spinel ferrite (MFe2O4, M = Mn, Co) nanoparticles (NPs) is explored. The characterization, performed using a combination of structural and magnetic techniques, reveals the complexity of the resulting nanocomposites. Results show that during the YBCO growth process, most of the NPs evolve to ferromagnetic double-perovskite (DP) phases (YBaCu2-x-yFexCoyO5/YBaCoFeO5), while a residual fraction of preformed ferrite NPs may remain in the YBCO matrix. Magnetometry cycles reflect the presence of ferromagnetic structures associated to the DPs embedded in the superconducting films. In addition, a superparamagnetic signal that may be associated with a diluted system of ferromagnetic clusters around complex defects has been detected, as previously observed in standard YBCO films and nanocomposites. The hybrid nanocomposites described in this work will allow studying several fundamental issues like the nucleation of superconductivity and the mechanisms of magnetic vortex pinning in superconducting/ferromagnetic heterostructures. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000405205300010 |
Publication Date |
2017-05-25 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2199-160x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.193 |
Times cited |
7 |
Open Access |
Not_Open_Access |
|
| |
Notes |
; The authors acknowledge financial support from Spanish Ministry of Economy and Competitiveness through the “Severo Ochoa” Programme for Centres of Excellence in R& D (SEV-2015-0496), CONSOLIDER Excellence Network (MAT2015-68994-REDC), COACHSUPENERGY project (MAT2014-51778-C21-R, cofinanced by the European Regional Development Fund), and from the Catalan Government with 2014-SGR753 and Xarmae. Some of the electron microscopy work has also been conducted in the Laboratorio de Microscopias Avanzadas (LMA) at Instituto de Nanociencia de Aragcn (INA) at the University of Zaragoza. Part of the electron microscopy work in EMAT group ( University of Antwerp) was performed within the framework of the EUROTAPES project (FP7-NMP. 2011.2.2-1 Grant No. 280432), funded by the European Union. Work at INA-LMA was supported by NanoAraCat. Research at UCM (J.S.) was supported by the ERC starting Investigator Award, Grant No. 239739 STEMOX and Juan de la Cierva Program JCI2011-09428 (MICINN-Spain). The XMCD experiments were performed at the BOREAS beamline of the ALBA Synchrotron Light Facility with the collaboration of ALBA staff. The authors would like to thank SOLEIL synchrotron for allocating beamtime and the DiffAbs beamline staff for help during the experiments. ; |
Approved |
Most recent IF: 4.193 |
|
| |
Call Number |
UA @ lucian @ c:irua:144852 |
Serial |
4719 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Guzzinati, G.; Béché, A.; Lourenço-Martins, H.; Martin, J.; Kociak, M.; Verbeeck, J. |
|
| |
Title |
Probing the symmetry of the potential of localized surface plasmon resonances with phase-shaped electron beams |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Nature communications |
Abbreviated Journal |
Nat Commun |
|
| |
Volume |
8 |
Issue |
8 |
Pages |
14999 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Plasmonics, the science and technology of the interaction of light with metallic objects, is fundamentally changing the way we can detect, generate and manipulate light. Although the field is progressing swiftly, thanks to the availability of nanoscale manufacturing and analysis methods, fundamental properties such as the plasmonic excitations’ symmetries cannot be accessed directly, leading to a partial, sometimes incorrect, understanding of their properties. Here we overcome this limitation by deliberately shaping the wave function of an electron beam to match a plasmonic excitations’ symmetry in a modified transmission electron microscope. We show experimentally and theoretically that this offers selective detection of specific plasmon modes within metallic nanoparticles, while excluding modes with other symmetries. This method resembles the widespread use of polarized light for the selective excitation of plasmon modes with the advantage of locally probing the response of individual plasmonic objects and a far wider range of symmetry selection criteria. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000399084300001 |
Publication Date |
2017-04-12 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2041-1723 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
12.124 |
Times cited |
84 |
Open Access |
OpenAccess |
|
| |
Notes |
; We thank F.J. Garcia de Abajo and D.M. Ugarte for interesting and fruitful discussion. This work was supported by funding from the European Research Council under the 7th Framework Program (FP7) ERC Starting Grant 278510 VORTEX. Financial support from the European Union under the Framework 7 program under a contract for an Integrated Infrastructure Initiative (Reference number 312483 ESTEEM2) is also gratefully acknowledged. Aluminum nanostructures were fabricated using the Nanomat nanofabrication facility. ; |
Approved |
Most recent IF: 12.124 |
|
| |
Call Number |
EMAT @ emat @ c:irua:142205UA @ admin @ c:irua:142205 |
Serial |
4548 |
|
| Permanent link to this record |
