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Records |
Links |
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Author |
Rehor, I.; Slegerova, J.; Kucka, J.; Proks, V.; Petrakova, V.; Adam, M.P.; Treussart, F.; Turner, S.; Bals, S.; Sacha, P.; Ledvina, M.; Wen, A.M.; Steinmetz, N.F.; Cigler, P.; |
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Title  |
Fluorescent nanodiamonds embedded in biocompatible translucent shells |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Small |
Abbreviated Journal |
Small |
|
| |
Volume |
10 |
Issue |
6 |
Pages |
1106-1115 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
High pressure high temperature (HPHT) nanodiamonds (NDs) represent extremely promising materials for construction of fluorescent nanoprobes and nanosensors. However, some properties of bare NDs limit their direct use in these applications: they precipitate in biological solutions, only a limited set of bio-orthogonal conjugation techniques is available and the accessible material is greatly polydisperse in shape. In this work, we encapsulate bright 30-nm fluorescent nanodiamonds (FNDs) in 1020-nm thick translucent (i.e., not altering FND fluorescence) silica shells, yielding monodisperse near-spherical particles of mean diameter 66 nm. High yield modification of the shells with PEG chains stabilizes the particles in ionic solutions, making them applicable in biological environments. We further modify the opposite ends of PEG chains with fluorescent dyes or vectoring peptide using click chemistry. High conversion of this bio-orthogonal coupling yielded circa 2000 dye or peptide molecules on a single FND. We demonstrate the superior properties of these particles by in vitro interaction with human prostate cancer cells: while bare nanodiamonds strongly aggregate in the buffer and adsorb onto the cell membrane, the shell encapsulated NDs do not adsorb nonspecifically and they penetrate inside the cells. |
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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 |
Weinheim |
Editor |
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Language |
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Wos |
000333538000012 |
Publication Date |
2014-02-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
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Series Issue |
|
Edition |
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| |
ISSN |
1613-6810; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
8.643 |
Times cited |
79 |
Open Access |
Not_Open_Access |
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| |
Notes |
262348 ESMI; Hercules; FWO |
Approved |
Most recent IF: 8.643; 2014 IF: 8.368 |
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| |
Call Number |
UA @ lucian @ c:irua:115566 |
Serial |
1234 |
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| Permanent link to this record |
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Author |
Du, G.H.; Xu, F.; Yuan, Z.Y.; Van Tendeloo, G. |
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| |
Title |
Flowerlike ZnO nanocones and nanowires: preparation, structure, and luminescence |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
|
| |
Volume |
88 |
Issue |
24 |
Pages |
243101,1-3 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000238314800074 |
Publication Date |
2006-06-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
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| |
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.411 |
Times cited |
76 |
Open Access |
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| |
Notes |
Iap-V |
Approved |
Most recent IF: 3.411; 2006 IF: 3.977 |
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| |
Call Number |
UA @ lucian @ c:irua:60057 |
Serial |
1225 |
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| Permanent link to this record |
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Author |
Conti, S.; Chaves, A.; Pandey, T.; Covaci, L.; Peeters, F.M.; Neilson, D.; Milošević, M.V. |
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Title |
Flattening conduction and valence bands for interlayer excitons in a moire MoS₂/WSe₂ heterobilayer |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Nanoscale |
Abbreviated Journal |
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| |
Volume |
|
Issue |
|
Pages |
1-11 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
We explore the flatness of conduction and valence bands of interlayer excitons in MoS2/WSe2 van der Waals heterobilayers, tuned by interlayer twist angle, pressure, and external electric field. We employ an efficient continuum model where the moire pattern from lattice mismatch and/or twisting is represented by an equivalent mesoscopic periodic potential. We demonstrate that the mismatch moire potential is too weak to produce significant flattening. Moreover, we draw attention to the fact that the quasi-particle effective masses around the Gamma-point and the band flattening are reduced with twisting. As an alternative approach, we show (i) that reducing the interlayer distance by uniform vertical pressure can significantly increase the effective mass of the moire hole, and (ii) that the moire depth and its band flattening effects are strongly enhanced by accessible electric gating fields perpendicular to the heterobilayer, with resulting electron and hole effective masses increased by more than an order of magnitude – leading to record-flat bands. These findings impose boundaries on the commonly generalized benefits of moire twistronics, while also revealing alternative feasible routes to achieve truly flat electron and hole bands to carry us to strongly correlated excitonic phenomena on demand. |
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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 |
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Editor |
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Language |
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Wos |
001047512300001 |
Publication Date |
2023-07-25 |
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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 |
2040-3364; 2040-3372 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
6.7 |
Times cited |
|
Open Access |
Not_Open_Access: Available from 25.01.2024 |
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| |
Notes |
|
Approved |
Most recent IF: 6.7; 2023 IF: 7.367 |
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| |
Call Number |
UA @ admin @ c:irua:198290 |
Serial |
8819 |
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| Permanent link to this record |
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Author |
Cheng, K.; Leys, M.; Degroote, S.; van Daele, B.; Boeykens, S.; Derluyn, J.; Germain, M.; Van Tendeloo, G.; Engelen, J.; Borghs, G. |
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Title |
Flat GaN epitaxial layers grown on Si(111) by metalorganic vapor phase epitaxy using step-graded AlGaN intermediate layers |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Journal of electronic materials |
Abbreviated Journal |
J Electron Mater |
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| |
Volume |
35 |
Issue |
4 |
Pages |
592-598 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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 |
Boston, Mass. |
Editor |
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Language |
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Wos |
000237101800016 |
Publication Date |
2007-04-16 |
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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 |
0361-5235;1543-186X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.579 |
Times cited |
102 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 1.579; 2006 IF: 1.504 |
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| |
Call Number |
UA @ lucian @ c:irua:58238 |
Serial |
1223 |
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| Permanent link to this record |
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Author |
Bertoni, G.; Verbeeck, J.; Brosens, F. |
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| |
Title |
Fitting the momentum dependent loss function in EELS |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Microscopy research and technique |
Abbreviated Journal |
Microsc Res Techniq |
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| |
Volume |
74 |
Issue |
3 |
Pages |
212-218 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Theory of quantum systems and complex systems |
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Abstract |
Momentum dependent inelastic plasmon scattering can be measured by electron energy loss in a transmission electron microscope. From energy filtered diffraction, the characteristic angle of scattering and the cutoff angle are measured, using a thin film of aluminum as a model test. Rather than deconvolving the data (as done in previous works), a fitting technique is used to extract the loss function from angular resolved spectra, starting from a simple model simulation. |
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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 |
New York, N.Y. |
Editor |
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Language |
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Wos |
000288095200002 |
Publication Date |
2010-07-06 |
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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 |
1059-910X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.147 |
Times cited |
6 |
Open Access |
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| |
Notes |
Fwo; Esteem; Iap; Goa |
Approved |
Most recent IF: 1.147; 2011 IF: 1.792 |
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Call Number |
UA @ lucian @ c:irua:88782UA @ admin @ c:irua:88782 |
Serial |
1222 |
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| Permanent link to this record |
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Author |
Tanner, L.E.; Shapiro, S.M.; Krumhansl, J.A; Schryvers, D.; Noda, Y.; Yamada, Y.; Barsch, G.R.; Gooding, R.; Moss, S.C. |
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Title |
Firsto order phase transformation in the Ni-Al system |
Type |
A3 Journal Article |
| |
Year |
1992 |
Publication |
Metallurgy and Ceramics |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
A3 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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Abstract |
First-order displacive phase transformations in alloys and compounds are of high technological importance. We have studied this class of phase transformation in the high-temperature-stable Ni-Al f32(B2) phase as a function of composition, temperature, and stress using transmission electron microscopy and neutron scattering. The results show in detail the direct relationship between the unusually low energies of the transformation-related phonon modes and the development of pre-transformation microstructures (strain-embryos, etc.) via anharmonic coupling processes that ultimately lead to the nucleation and growth of the low-temperature martensitic phases. With these results, it is now possible to develop effective models for nonclassical heterogeneous nucleation of martensite transformations in bulk materials. This tills a critical gap and sets the stage for us to proceed in developing a more global understanding of condensed matter transformations including the coupling of displacive with replacive mechanisms. |
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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 |
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Publication Date |
0000-00-00 |
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Series Editor |
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Series Issue |
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Edition |
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ISSN |
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Additional Links |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
EMAT @ emat @ |
Serial |
5053 |
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| Permanent link to this record |
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Author |
Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D. |
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Title |
First-principles study of the optoelectronic properties and photovoltaic absorber layer efficiency of Cu-based chalcogenides |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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| |
Volume |
120 |
Issue |
120 |
Pages |
085707 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
Cu-based chalcogenides are promising materials for thin-film solar cells with more than 20% measured
cell efficiency. Using first-principles calculations based on density functional theory, the
optoelectronic properties of a group of Cu-based chalcogenides Cu2-II-IV-VI4 is studied. They are
then screened with the aim of identifying potential absorber materials for photovoltaic applications.
The spectroscopic limited maximum efficiency (SLME) introduced by Yu and Zunger [Phys. Rev.
Lett. 108, 068701 (2012)] is used as a metric for the screening. After constructing the currentvoltage
curve, the SLME is calculated from the maximum power output. The role of the nature of
the band gap, direct or indirect, and also of the absorptivity of the studied materials on the maximum
theoretical power conversion efficiency is studied. Our results show that Cu2II-GeSe4 with
II¼ Cd and Hg, and Cu2-II-SnS4 with II ¼ Cd, Hg, and Zn have a higher theoretical efficiency
compared with the materials currently used as absorber layer. |
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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 |
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Editor |
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Language |
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Wos |
000383913400074 |
Publication Date |
2016-08-30 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
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| |
ISSN |
0021-8979 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.068 |
Times cited |
29 |
Open Access |
|
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| |
Notes |
We acknowledge the financial support from the FWO-Vlaanderen through project G.0150.13N and a GOA fund from the University of Antwerp. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), bothfunded by the FWO-Vlaanderen and the Flemish Government–department EWI. |
Approved |
Most recent IF: 2.068 |
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| |
Call Number |
c:irua:135089 |
Serial |
4113 |
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| Permanent link to this record |
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Author |
Dixit, H.; Tandon, N.; Cottenier, S.; Saniz, R.; Lamoen, D.; Partoens, B. |
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Title |
First-principles study of possible shallow donors in ZnAl2O4 spinel |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
87 |
Issue |
17 |
Pages |
174101-174107 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
ZnAl2O4 (gahnite) is a ceramic which is considered a possible transparent conducting oxide (TCO) due to its wide band gap and transparency for UV. Defects play an important role in controlling the conductivity of a TCO material along with the dopant, which is the main source of conductivity in an otherwise insulating oxide. A comprehensive first-principles density functional theory study for point defects in ZnAl2O4 spinel is presented using the Heyd, Scuseria, and Ernzerhof hybrid functional (HSE06) to overcome the band gap problem. We have investigated the formation energies of intrinsic defects which include the Zn, Al, and O vacancy and the antisite defects: Zn at the Al site (ZnAl) and Al at the Zn site (AlZn). The antisite defect AlZn has the lowest formation energy and acts as a shallow donor, indicating possible n-type conductivity in ZnAl2O4 spinel by Al doping. |
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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 |
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Editor |
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Language |
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Wos |
000318653300001 |
Publication Date |
2013-05-08 |
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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 |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
50 |
Open Access |
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Notes |
Iwt; Fwo |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
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| |
Call Number |
UA @ lucian @ c:irua:108769 |
Serial |
1219 |
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| Permanent link to this record |
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Author |
Govaerts, K. |
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Title |
First-principles study of homologous series of layered Bi-Sb-Te-Se and Sn-O structures |
Type |
Doctoral thesis |
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Year |
2015 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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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 |
Antwerpen |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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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 |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
|
Open Access |
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Notes |
|
Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:126206 |
Serial |
1218 |
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| Permanent link to this record |
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Author |
Saniz, R.; Bekaert, J.; Partoens, B.; Lamoen, D. |
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Title |
First-principles study of defects at Σ3 grain boundaries in CuGaSe2 |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Solid State Communications |
Abbreviated Journal |
Solid State Commun |
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Volume |
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Issue |
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Pages |
114263 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT) |
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Abstract |
We present a first-principles computational study of cation–Se 3 (112) grain boundaries in CuGaSe. We discuss the structure of these grain boundaries, as well as the effect of native defects and Na impurities on their electronic properties. The formation energies show that the defects will tend to form preferentially at the grain boundaries, rather than in the grain interiors. We find that in Ga-rich growth conditions Cu vacancies as well as Ga at Cu and Cu at Ga antisites are mainly responsible for having the equilibrium Fermi level pinned toward the middle of the gap, resulting in carrier depletion. The Na at Cu impurity in its +1 charge state contributes to this. In Ga-poor growth conditions, on the other hand, the formation energies of Cu vacancies and Ga at Cu antisites are comparatively too high for any significant influence on carrier density or on the equilibrium Fermi level position. Thus, under these conditions, the Cu at Ga antisites give rise to a -type grain boundary. Also, their formation energy is lower than the formation energy of Na at Cu impurities. Thus, the latter will fail to act as a hole barrier preventing recombination at the grain boundary, in contrast to what occurs in CuInSe grain boundaries. We also discuss the effect of the defects on the electronic properties of bulk CuGaSe, which we assume reflect the properties of the grain interiors. |
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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 |
000652668500013 |
Publication Date |
2021-03-12 |
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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 |
0038-1098 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.554 |
Times cited |
1 |
Open Access |
OpenAccess |
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| |
Notes |
Fwo; We acknowledge the financial support of FWO-Vlaanderen, Belgium through project G.0150.13. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by FWO-Vlaanderen and the Flemish Government-department EWI. |
Approved |
Most recent IF: 1.554 |
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| |
Call Number |
EMAT @ emat @c:irua:176544 |
Serial |
6703 |
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| Permanent link to this record |
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Author |
Saniz, R.; Sarmadian, N.; Partoens, B.; Batuk, M.; Hadermann, J.; Marikutsa, A.; Rumyantseva, M.; Gaskov, A.; Lamoen, D. |
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| |
Title |
First-principles study of CO and OH adsorption on in-doped ZnO surfaces |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
The journal of physics and chemistry of solids |
Abbreviated Journal |
J Phys Chem Solids |
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| |
Volume |
132 |
Issue |
|
Pages |
172-181 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
We present a first-principles computational study of CO and OH adsorption on non-polar ZnO (10¯10) surfaces doped with indium. The calculations were performed using a model ZnO slab. The position of the In dopants was varied from deep bulk-like layers to
the surface layers. It was established that the preferential location of the In atoms is at the surface by examining the dependence of
the defect formation energy as well as the surface energy on In location. The adsorption sites on the surface of ZnO and the energy
of adsorption of CO molecules and OH-species were determined in connection to In doping. It was found that OH has higher
bonding energy to the surface than CO. The presence of In atoms at the surface of ZnO is favorable for CO adsorption, resulting
in an elongation of the C-O bond and in charge transfer to the surface. The effect of CO and OH adsorption on the electronic
and conduction properties of surfaces was assessed. We conclude that In-doped ZnO surfaces should present a higher electronic
response upon adsorption of CO. |
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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 |
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Editor |
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Language |
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Wos |
000472124700023 |
Publication Date |
2019-04-25 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0022-3697 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.059 |
Times cited |
7 |
Open Access |
Not_Open_Access: Available from 26.04.2021
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| |
Notes |
FWO-Vlaanderen, G0D6515N ; ERA.Net RUS Plus, 096 ; VSC; HPC infrastructure of the University of Antwerp; FWO-Vlaanderen; Flemish Government-department EWI; |
Approved |
Most recent IF: 2.059 |
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| |
Call Number |
EMAT @ emat @UA @ admin @ c:irua:159656 |
Serial |
5170 |
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| Permanent link to this record |
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| |
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Author |
Bekaert, J.; Saniz, R.; Partoens, B.; Lamoen, D. |
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| |
Title |
First-principles study of carbon impurities in CuInSe2 and CuGaSe2, present in non-vacuum synthesis methods |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
|
| |
Volume |
117 |
Issue |
117 |
Pages |
015104 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
A first-principles study of the structural and electronic properties of carbon impurities in CuInSe2 and CuGaSe2 is presented. Carbon is present in organic molecules in the precursor solutions used in non-vacuum growth methods for CuInSe2 and CuGaSe2 based photovoltaic cells. These growth methods make more efficient use of material, time, and energy than traditional vacuum methods. The formation energies of several carbon impurities are calculated using the hybrid HSE06 functional. C Cu acts as a shallow donor, CIn and interstitial C yield deep donor levels in CuInSe2, while in CuGaSe2 CGa and interstitial C act as deep amphoteric defects. So, these defects reduce the majority carrier (hole) concentration in p-type CuInSe2 and CuGaSe2 by compensating the acceptor levels. The deep defects are likely to act as recombination centers for the photogenerated charge carriers and are thus detrimental for the performance of the photovoltaic cells. On the other hand, the formation energies of the carbon impurities are high, even under C-rich growth conditions. Thus, few C impurities will form in CuInSe2 and CuGaSe2 in thermodynamic equilibrium. However, the deposition of the precursor solution in non-vacuum growth methods presents conditions far from thermodynamic equilibrium. In this case, our calculations show that C impurities formed in non-equilibrium tend to segregate from CuInSe2 and CuGaSe2 by approaching thermodynamic equilibrium, e.g., via thorough annealing. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000347958600055 |
Publication Date |
2015-01-07 |
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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 |
0021-8979;1089-7550; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.068 |
Times cited |
6 |
Open Access |
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| |
Notes |
FWO G015013; Hercules |
Approved |
Most recent IF: 2.068; 2015 IF: 2.183 |
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| |
Call Number |
c:irua:122064 |
Serial |
1215 |
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| Permanent link to this record |
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Author |
Bercx, M.; Slap, L.; Partoens, B.; Lamoen, D. |
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| |
Title |
First-Principles Investigation of the Stability of the Oxygen Framework of Li-Rich Battery Cathodes |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
MRS advances |
Abbreviated Journal |
MRS Adv. |
|
| |
Volume |
4 |
Issue |
14 |
Pages |
813-820 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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| |
Abstract |
Lithium-rich layered oxides such as Li<sub>2</sub>MnO<sub>3</sub>have shown great potential as cathodes in Li-ion batteries, mainly because of their large capacities. However, these materials still suffer from structural degradation as the battery is cycled, reducing the average voltage and capacity of the cell. The voltage fade is believed to be related to the migration of transition metals into the lithium layer, linked to the formation of O-O dimers with a short bond length, which in turn is driven by the presence of oxygen holes due to the participation of oxygen in the redox process. We investigate the formation of O-O dimers for partially charged O1-Li<sub>2</sub>MnO<sub>3</sub>using a first-principles density functional theory approach by calculating the reaction energy and kinetic barriers for dimer formation. Next, we perform similar calculations for partially charged O1-Li<sub>2</sub>IrO<sub>3</sub>, a Li-rich material for which the voltage fade was not observed during cycling. When we compare the stability of the oxygen framework, we conclude that the formation of O-O dimers is both thermodynamically and kinetically viable for O1-Li<sub>0.5</sub>MnO<sub>3</sub>. For O1-Li<sub>0.5</sub>IrO<sub>3</sub>, we observe that the oxygen lattice is much more stable, either returning to its original state when perturbed, or resulting in a structure with an O-O dimer that is much higher in energy. This can be explained by the mixed redox process for Li<sub>2</sub>IrO<sub>3</sub>, which is also shown from the calculated magnetic moments. The lack of O-O dimer formation in O1-Li<sub>0.5</sub>IrO<sub>3</sub>provides valuable insight as to why Li<sub>2</sub>IrO<sub>3</sub>does not demonstrate a voltage fade as the battery is cycled, which can be used to design Li-rich battery cathodes with an improved cycling performance. |
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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 |
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Editor |
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Language |
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Wos |
000466846700004 |
Publication Date |
2019-02-21 |
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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 |
2059-8521 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
3 |
Open Access |
Not_Open_Access: Available from 22.02.2020
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Notes |
We acknowledge the financial support of FWO-Vlaanderen through project G040116N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI. |
Approved |
Most recent IF: NA |
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| |
Call Number |
EMAT @ emat @UA @ admin @ c:irua:160121 |
Serial |
5179 |
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| Permanent link to this record |
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Author |
Titantah, J.T.; Lamoen, D. |
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Title |
First-principles characterization of amorphous carbon nitride systems: structural and electronic properties |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Physica status solidi: A: applied research |
Abbreviated Journal |
Phys Status Solidi A |
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| |
Volume |
203 |
Issue |
12 |
Pages |
3191-3197 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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 |
Berlin |
Editor |
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Language |
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Wos |
000240967400032 |
Publication Date |
2006-09-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
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ISSN |
1862-6300;1862-6319; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.775 |
Times cited |
3 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 1.775; 2006 IF: NA |
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Call Number |
UA @ lucian @ c:irua:61003 |
Serial |
1205 |
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| Permanent link to this record |
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Author |
Schowalter, M.; Lamoen, D.; Kruse, P.; Gerthsen, D.; Rosenauer, A. |
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Title |
First-principles calculations of the mean inner Coulomb potential for sphalerite type II.VI semiconductors |
Type |
A1 Journal article |
| |
Year |
2004 |
Publication |
Applied Physics Letters |
Abbreviated Journal |
Appl Phys Lett |
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| |
Volume |
85 |
Issue |
21 |
Pages |
4938-4940 |
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Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000225300600037 |
Publication Date |
2004-11-24 |
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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 |
0003-6951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.411 |
Times cited |
16 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 3.411; 2004 IF: 4.308 |
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Call Number |
UA @ lucian @ c:irua:49657 |
Serial |
1203 |
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| Permanent link to this record |
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Author |
Rosenauer, A.; Schowalter, M.; Glas, F.; Lamoen, D. |
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Title |
First-principles calculations of 002 structure factors for electron scattering in strained InxGa1-xAs |
Type |
A1 Journal article |
| |
Year |
2005 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
72 |
Issue |
8 |
Pages |
1-10 |
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| |
Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
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Abstract |
This work provides values of electron scattering 002 structure factors for InxGa1-xAs as a function of the In concentration x=0 to 1. These results allow accurate compositional analysis of pseudomorphically grown InxGa1-xAs/GaAs layers by transmission electron microscopy methods relying on the chemical sensitivity of the (002) beam. The calculations go beyond the limits of the isolated atom approximation, because they take into account charge redistribution effects between atomic sites in the crystal, strain, and static atomic displacements. The computations were performed by the full potential linearized augmented plane-wave method using a generalized gradient approximation for the exchange and correlation part of the potential. The calculations of strained InxGa1-xAs correspond to the strain state in specimens with large, small, and intermediate thickness in the electron beam direction. Additionally, the effect of static atomic displacements is taken into account. All results are listed in a parameterized form. The calculated 002 structure factor vanishes at an In concentration of 16.4%. This value is in a good agreement with previously reported experimental measurements. Hence, our results are a significant improvement with respect to the isolated atom approximation which is conventionally applied in transmission electron microscopy simulations, and which predicts a value of 22.5%. |
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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 |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000231564600106 |
Publication Date |
2005-08-12 |
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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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
42 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 3.836; 2005 IF: 3.185 |
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Call Number |
UA @ lucian @ c:irua:54918 |
Serial |
1201 |
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| Permanent link to this record |
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Author |
Rosenauer, A.; Schowalter, M.; Glas, F.; Lamoen, D. |
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Title |
First-principles calculations of 002 structure factors for electron scattering in strained InxGa1-xAs |
Type |
A1 Journal article |
| |
Year |
2005 |
Publication |
|
Abbreviated Journal |
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Volume |
107 |
Issue |
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Pages |
151-154 |
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Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
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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 |
Berlin |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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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 |
0930-8989 |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
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Impact Factor |
|
Times cited |
|
Open Access |
|
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Notes |
|
Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:72916 |
Serial |
1202 |
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| Permanent link to this record |
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Author |
Bertoni, G.; Calmels, L. |
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Title |
First-principles calculation of the electronic structure and energy loss near edge spectra of chiral carbon nanotubes |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Micron |
Abbreviated Journal |
Micron |
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| |
Volume |
37 |
Issue |
5 |
Pages |
486-491 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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 |
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Editor |
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Language |
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Wos |
000238806400018 |
Publication Date |
2005-11-22 |
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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 |
0968-4328; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.98 |
Times cited |
12 |
Open Access |
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Notes |
Fwo |
Approved |
Most recent IF: 1.98; 2006 IF: 1.200 |
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Call Number |
UA @ lucian @ c:irua:59604 |
Serial |
1200 |
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| Permanent link to this record |
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Author |
Bercx, M.; Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D. |
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Title |
First-principles analysis of the spectroscopic limited maximum efficiency of photovoltaic absorber layers for CuAu-like chalcogenides and silicon |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
18 |
Issue |
18 |
Pages |
20542-20549 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
Chalcopyrite semiconductors are of considerable interest for application as absorber layers in thin-film photovoltaic cells. When growing films of these compounds, however, they are often found to contain CuAu-like domains, a metastable phase of chalcopyrite. It has been reported that for CuInS2, the presence of the CuAu-like phase improves the short circuit current of the chalcopyrite-based photovoltaic cell. We investigate the thermodynamic stability of both phases for a selected list of I-III-VI2 materials using a first-principles density functional theory approach. For the CuIn-VI2 compounds, the difference in formation energy between the chalcopyrite and CuAu-like phase is found to be close to 2 meV per atom, indicating a high likelihood of the presence of CuAu-like domains. Next, we calculate the spectroscopic limited maximum efficiency (SLME) of the CuAu-like phase and compare the results with those of the corresponding chalcopyrite phase. We identify several candidates with a high efficiency, such as CuAu-like CuInS2, for which we obtain an SLME of 29% at a thickness of 500 nm. We observe that the SLME can have values above the Shockley-Queisser (SQ) limit, and show that this can occur because the SQ limit assumes the absorptivity to be a step function, thus overestimating the radiative recombination in the detailed balance approach. This means that it is possible to find higher theoretical efficiencies within this framework simply by calculating the J-V characteristic with an absorption spectrum. Finally, we expand our SLME analysis to indirect band gap absorbers by studying silicon, and find that the SLME quickly overestimates the reverse saturation current of indirect band gap materials, drastically lowering their calculated efficiency. |
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Address |
EMAT & CMT groups, Department of Physics, University of Antwerp, Campus Groenenborger, Groenenborgerlaan 171, 2020 Antwerp, Belgium. marnik.bercx@uantwerpen.be |
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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 |
English |
Wos |
000381428600058 |
Publication Date |
2016-07-08 |
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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 |
1463-9076 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.123 |
Times cited |
34 |
Open Access |
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Notes |
We acknowledge financial support of FWO-Vlaanderen through projects G.0150.13N and G.0216.14N and ERA-NET RUS Plus/FWO, Grant G0D6515N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO FWOVlaanderen. |
Approved |
Most recent IF: 4.123 |
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Call Number |
c:irua:135091 |
Serial |
4112 |
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| Permanent link to this record |
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Author |
Devouard, B.; Baronnet, A.; Van Tendeloo, G.; Amelinckx, S. |
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Title |
First evidence of synthetic polygonal serpentines |
Type |
A1 Journal article |
| |
Year |
1997 |
Publication |
European journal of mineralogy |
Abbreviated Journal |
Eur J Mineral |
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Volume |
9 |
Issue |
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Pages |
539-546 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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 |
Stuttgart |
Editor |
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Language |
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Wos |
A1997XB31400008 |
Publication Date |
0000-00-00 |
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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 |
0935-1221 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.362 |
Times cited |
15 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.362; 1997 IF: 1.099 |
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Call Number |
UA @ lucian @ c:irua:21431 |
Serial |
1198 |
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Author |
Lebedev, O.I.; Millange, F.; Serre, C.; Van Tendeloo, G.; Férey, G. |
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Title |
First direct imaging of giant pores of the metal-organic framework MIL-101 |
Type |
A1 Journal article |
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Year |
2005 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
17 |
Issue |
26 |
Pages |
6525-6527 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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 |
Washington, D.C. |
Editor |
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Language |
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Wos |
000234187300007 |
Publication Date |
2005-12-20 |
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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 |
0897-4756;1520-5002; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.466 |
Times cited |
191 |
Open Access |
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Notes |
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Approved |
Most recent IF: 9.466; 2005 IF: 4.818 |
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Call Number |
UA @ lucian @ c:irua:56404 |
Serial |
1197 |
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Author |
Van Tendeloo, G.; Richard, O.; Schuddinck, W.; Hervieu, M. |
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Title |
Fine structure of CMR perovskites by HREM and CBEM |
Type |
A1 Journal article |
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Year |
1998 |
Publication |
Electron microscopy: vol. 1 |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
383-384 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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 |
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Editor |
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Language |
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Wos |
000077017600178 |
Publication Date |
0000-00-00 |
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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 |
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ISBN |
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Additional Links |
UA library record; WoS full record; |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:25674 |
Serial |
1194 |
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Author |
Tonkikh, A.A.; Tsebro, V.I.; Obraztsova, E.A.; Rybkovskiy, D.V.; Orekhov, A.S.; Kondrashov, I.I.; Kauppinen, E.I.; Chuvilin, A.L.; Obraztsova, E.D. |
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Title |
Films of filled single-wall carbon nanotubes as a new material for high-performance air-sustainable transparent conductive electrodes operating in a wide spectral range |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
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Volume |
11 |
Issue |
14 |
Pages |
6755-6765 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
In this paper we show the advantages of transparent high conductive films based on filled single-wall carbon nanotubes. The nanotubes with internal channels filled with acceptor molecules (copper chloride or iodine) form networks demonstrating significantly improved characteristics. Due to the charge transfer between the nanotubes and filler, the doped-nanotube films exhibit a drop in electrical sheet resistance of an order of magnitude together with a noticeable increase of film transparency in the visible and near-infrared spectral range. The thermoelectric power measurements show a significant improvement of air-stability of the nanotube network in the course of the filling procedure. For the nanotube films with an initial transparency of 87% at 514 nm and electrical sheet resistance of 862 Ohm sq(-1) we observed an improvement of transparency up to 91% and a decrease of sheet resistance down to 98 Ohm sq(-1). The combination of the nanotube synthesis technique and molecules for encapsulation has been optimized for applications in optoelectronics. |
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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 |
000464454400024 |
Publication Date |
2019-03-05 |
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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 |
2040-3364 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.367 |
Times cited |
2 |
Open Access |
Not_Open_Access: Available from 06.09.2019
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Notes |
; The work was supported by the RFBR project 18-29-19113-mk, grant no. 311533 of Academy of Finland, Russian Federation President Program for young scientist MK-3140.2018.2. Also, the reported study was funded by RFBR and Moscow city Government according to the research project no. 19-32-70004. TEM measurements were performed with financial support from the Ministry of Science and Higher Education of the Russian Federation within the state assignment for the Federal Scientific Research Centre “Crystallography and Photonics” of the Russian Academy of Sciences. ; |
Approved |
Most recent IF: 7.367 |
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Call Number |
UA @ admin @ c:irua:159339 |
Serial |
5249 |
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| Permanent link to this record |
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Author |
Cooper, D.; de la Peña, F.; Béché, A.; Rouvière, J.-L.; Servanton, G.; Pantel, R.; Morin, P. |
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Title |
Field mapping with nanometer-scale resolution for the next generation of electronic devices |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
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| |
Volume |
11 |
Issue |
11 |
Pages |
4585-4590 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
In order to improve the performance of todays nanoscaled semiconductor devices, characterization techniques that can provide information about the position and activity of dopant atoms and the strain fields are essential. Here we demonstrate that by using a modern transmission electron microscope it is possible to apply multiple techniques to advanced materials systems in order to provide information about the structure, fields, and composition with nanometer-scale resolution. Off-axis electron holography has been used to map the active dopant potentials in state-of-the-art semiconductor devices with 1 nm resolution. These dopant maps have been compared to electron energy loss spectroscopy maps that show the positions of the dopant atoms. The strain fields in the devices have been measured by both dark field electron holography and nanobeam electron diffraction. |
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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 |
Washington |
Editor |
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Language |
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Wos |
000296674700014 |
Publication Date |
2011-10-05 |
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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 |
1530-6984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
12.712 |
Times cited |
12 |
Open Access |
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Notes |
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Approved |
Most recent IF: 12.712; 2011 IF: 13.198 |
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Call Number |
UA @ lucian @ c:irua:136369 |
Serial |
4499 |
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| Permanent link to this record |
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Author |
Cao, S.; Nishida, M.; Schryvers, D. |
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Title |
FIB/SEM applied to quantitative 3D analysis of precipitates in Ni-Ti |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Diffusion and defect data : solid state data : part B : solid state phenomena |
Abbreviated Journal |
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| |
Volume |
172/174 |
Issue |
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Pages |
1284-1289 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Ni4Ti3 precipitates with a heterogeneous distribution growing in a polycrystalline Ni50.8Ti49.2 alloy have been investigated in a Dual-Beam FIB/SEM system. The volume ratio, mean volume, central plane diameter, thickness, aspect ratio and sphericity of the precipitates in the grain interior as well as near to the grain boundary were measured or calculated. The morphology of the precipitates was classified according to the Zingg scheme. The multistage martensitic transformation occurring in these kinds of samples is interpreted in view of the data of this heterogeneous microstructure of matrix and precipitates. |
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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 |
Vaduz |
Editor |
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Language |
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Wos |
000303359700199 |
Publication Date |
2011-07-04 |
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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 |
1662-9779; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:90152 |
Serial |
1188 |
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| Permanent link to this record |
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Author |
Lak, A.; Cassani, M.; Mai, B.T.; Winckelmans, N.; Cabrera, D.; Sadrollahi, E.; Marras, S.; Remmer, H.; Fiorito, S.; Cremades-Jimeno, L.; Litterst, F.J.; Ludwig, F.; Manna, L.; Teran, F.J.; Bals, S.; Pellegrino, T. |
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Title |
Fe2+Deficiencies, FeO Subdomains, and Structural Defects Favor Magnetic Hyperthermia Performance of Iron Oxide Nanocubes into Intracellular Environment |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
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| |
Volume |
18 |
Issue |
18 |
Pages |
6856-6866 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Herein, by studying a stepwise phase transformation of 23 nm FeO-Fe3O4 core-shell nanocubes into Fe3O4, we identify a composition at which the magnetic heating performance of the nanocubes is not affected by the medium viscosity and aggregation. Structural and magnetic characterizations reveal the transformation of the FeO-Fe3O4 nanocubes from having stoichiometric phase compositions into Fe2+ deficient Fe3O4 phases. The resultant nanocubes contain tiny compressed and randomly distributed FeO sub-domains as well as structural defects. This phase transformation causes a tenfold increase in the magnetic losses of the nanocubes, which remains exceptionally insensitive to the medium viscosity as well as aggregation unlike similarly sized single-phase magnetite nanocubes. We observe that the dominant relaxation mechanism switches from Néel in fresh core-shell nanocubes to Brownian in partially oxidized nanocubes and once again to Néel in completely treated nanocubes. The Fe2+ deficiencies and structural defects appear to reduce the magnetic energy barrier and anisotropy field, thereby driving the overall relaxation into Néel process. The magnetic losses of the particles remain unchanged through a progressive internalization/association to ovarian cancer cells. Moreover, the particles induce a significant cell death after being exposed to hyperthermia treatment. Here, we present the largest heating performance that has been reported to date for 23 nm iron oxide nanoparticles under cellular and intracellular conditions. Our findings clearly demonstrate the positive impacts of the Fe2+ deficiencies and structural defects in the Fe3O4 structure on the heating performance under cellular and intracellular conditions. |
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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 |
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Editor |
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Language |
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Wos |
000451102100028 |
Publication Date |
2018-11-14 |
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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 |
1530-6984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
12.712 |
Times cited |
51 |
Open Access |
OpenAccess |
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Notes |
This work is partially funded by the European Research Council (starting grant ICARO, Contract No. 678109 and COLOURATOM-335078), Spanish Ministry of Economy and Competitiveness (MAT2016-81955-REDT, SEV-2016-0686, MAT2017-85617-R) Comunidad de Madrid (NANOFRONTMAG-CM, S2013/MIT-2850), the European COST Action TD1402 (RADIOMAG), and Ramon y Cajal subprogram (RYC-2011-09617). Financial support from the Deutsche Forschungsgemeinschaft, DFG Priority Program 1681 (LU800/4-3). S.B. and N.W. acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through Project funding G038116N. A.L. acknowledges the Alexander von Humboldt Foundation for the Postdoctoral Research Fellow funding. Mr Emilio J. Artés from the Advanced Instrumentation Unit (iMdea Nanociencia) is acknowledged for his technical assistance. L. M acknowledges the predoctoral fellowship funded from Comunidad de Madrid (PEJD-2017-PRE/IND-4189). Authors thank Tiziano Catelani and Doriana Debellis for the preparation of TEM cell samples (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ecas_Sara |
Approved |
Most recent IF: 12.712 |
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Call Number |
EMAT @ emat @c:irua:155439UA @ admin @ c:irua:155439 |
Serial |
5072 |
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| Permanent link to this record |
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Author |
Paul, M.; Kufer, D.; Müller, A.; Brück, S.; Goering, E.; Kamp, M.; Verbeeck, J.; Tian, H.; Van Tendeloo, G.; Ingle, N.J.C.; Sing, M.; Claessen, R. |
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Title |
Fe3O4/ZnO : a high-quality magnetic oxide-semiconductor heterostructure by reactive deposition |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
98 |
Issue |
1 |
Pages |
012512,1-012512,3 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We demonstrate the epitaxial growth of Fe<sub>3</sub>O<sub>4</sub> films on ZnO by a simple reactive deposition procedure using molecular oxygen as an oxidizing agent. X-ray photoelectron spectroscopy results evidence that the iron-oxide surface is nearly stoichiometric magnetite. X-ray diffraction results indicate monocrystalline epitaxy and almost complete structural relaxation. Scanning transmission electron micrographs reveal that the microstructure consists of domains which are separated by antiphase boundaries or twin boundaries. The magnetite films show rather slow magnetization behavior in comparison with bulk crystals probably due to reduced magnetization at antiphase boundaries in small applied fields. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000286009800055 |
Publication Date |
2011-01-07 |
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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 |
0003-6951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.411 |
Times cited |
27 |
Open Access |
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Notes |
The authors acknowledge financial support by DFG through Forschergruppe FOR 1162. |
Approved |
Most recent IF: 3.411; 2011 IF: 3.844 |
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Call Number |
UA @ lucian @ c:irua:88653 |
Serial |
3532 |
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| Permanent link to this record |
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Author |
Barreca, D.; Carraro, G.; Gasparotto, A.; Maccato, C.; Warwick, M.E.A.; Kaunisto, K.; Sada, C.; Turner, S.; Gönüllü, Y.; Ruoko, T.-P.; Borgese, L.; Bontempi, E.; Van Tendeloo, G.; Lemmetyinen, H.; Mathur, S. |
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Title |
Fe2O3-TiO2Nano-heterostructure Photoanodes for Highly Efficient Solar Water Oxidation |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Advanced Materials Interfaces |
Abbreviated Journal |
Adv Mater Interfaces |
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Volume |
2 |
Issue |
2 |
Pages |
1500313 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Harnessing solar energy for the production of clean hydrogen by photoelectrochemical water splitting represents a very attractive, but challenging approach for sustainable energy generation. In this regard, the fabrication of Fe2O3–TiO2 photoanodes is reported, showing attractive performances [≈2.0 mA cm−2 at 1.23 V vs. the reversible hydrogen electrode in 1 M NaOH] under simulated one-sun illumination. This goal, corresponding to a tenfold photoactivity enhancement with respect to bare Fe2O3, is achieved by atomic layer deposition of TiO2 over hematite (α-Fe2O3) nanostructures fabricated by plasma enhanced-chemical vapor deposition and final annealing at 650 °C. The adopted approach enables an intimate Fe2O3–TiO2 coupling, resulting in an electronic interplay at the Fe2O3/TiO2 interface. The reasons for the photocurrent enhancement determined by TiO2 overlayers with increasing thickness are unraveled by a detailed chemico-physical investigation, as well as by the study of photogenerated charge carrier dynamics. Transient absorption spectroscopy shows that the increased photoelectrochemical response of heterostructured photoanodes compared to bare hematite is due to an enhanced separation of photogenerated charge carriers and more favorable hole dynamics for water oxidation. The stable responses obtained even in simulated seawater provides a feasible route in view of the eventual large-scale generation of renewable energy. |
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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 |
000368914700011 |
Publication Date |
2015-09-03 |
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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 |
2196-7350; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.279 |
Times cited |
56 |
Open Access |
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Notes |
The authors kindly acknowledge the fi nancial support under the FP7 project “SOLAROGENIX” (NMP4-SL-2012-310333), as well as Padova University ex-60% 2012–2014 projects, Grant No. CPDR132937/13 (SOLLEONE), and Regione Lombardia-INSTM ATLANTE projects. S.T. acknowledges the FWO Flanders for a postdoctoral scholarship. |
Approved |
Most recent IF: 4.279; 2015 IF: NA |
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Call Number |
c:irua:129201 |
Serial |
3957 |
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| Permanent link to this record |
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Author |
Barreca, D.; Carraro, G.; Warwick, M.E.A.; Kaunisto, K.; Gasparotto, A.; Gombac, V.; Sada, C.; Turner, S.; Van Tendeloo, G.; Maccato, C.; Fornasiero, P.; |
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Title |
Fe2O3-TiO2 nanosystems by a hybrid PE-CVD/ALD approach : controllable synthesis, growth mechanism, and photocatalytic properties |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
CrystEngComm |
Abbreviated Journal |
Crystengcomm |
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Volume |
17 |
Issue |
17 |
Pages |
6219-6226 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Supported Fe2O3–TiO2 nanocomposites are fabricated by an original vapor phase synthetic strategy, consisting of the initial growth of Fe2O3 nanosystems on fluorine-doped tin oxide substrates by plasma enhanced-chemical vapor deposition, followed by atomic layer deposition of TiO2 overlayers with variable thickness, and final thermal treatment in air. A thorough characterization of the target systems is carried out by X-ray diffraction, atomic force microscopy, field emission-scanning electron microscopy, energy dispersive X-ray spectroscopy, transmission electron microscopy, and X-ray photoelectron spectroscopy. High purity nanomaterials characterized by the co-presence of Fe2O3 (hematite) and TiO2 (anatase), with an intimate Fe2O3–TiO2 contact, are successfully obtained. In addition, photocatalytic tests demonstrate that, whereas both single-phase oxides do not show appreciable activity, the composite systems are able to degrade methyl orange aqueous solutions under simulated solar light, and even visible light, with an efficiency directly dependent on TiO2 overlayer thickness. This finding opens attractive perspectives for eventual applications in wastewater treatment. |
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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 |
000358915300018 |
Publication Date |
2015-07-23 |
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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 |
1466-8033; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.474 |
Times cited |
25 |
Open Access |
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Notes |
The research leading to these results has received funding from the FP7 project “SOLAROGENIX” IJNMP4-SL-2012- 310333), as well as from Padova University ex-60% 2012–2015 projects, grant no. CPDR132937/13 (SOLLEONE), and Regione Lombardia-INSTM ATLANTE projects. S. T. acknowledges the FWO Flanders for a post-doctoral scholarship. Thanks are also due to Prof. S. Mathur and Dr. Y. Gönüllü (Department of Chemistry, Cologne University, Germany) for their precious help and assistance in ALD depositions, and to Prof. E. Bontempi (Chemistry for Technologies Laboratory, Brescia University, Italy) for XRD analyses. |
Approved |
Most recent IF: 3.474; 2015 IF: 4.034 |
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Call Number |
c:irua:127237 |
Serial |
3531 |
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Author |
Maignan, A.; Martin, C.; Van Tendeloo, G.; Hervieu, M.; Raveau, B. |
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Title |
Ferromagnetism and magnetoresistance in monolayered manganites Ca2-xLnxMnO4 |
Type |
A1 Journal article |
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Year |
1998 |
Publication |
Journal of materials chemistry |
Abbreviated Journal |
J Mater Chem |
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Volume |
8 |
Issue |
11 |
Pages |
2411-2416 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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 |
Cambridge |
Editor |
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Language |
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Wos |
000076974900019 |
Publication Date |
2002-07-26 |
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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 |
0959-9428;1364-5501; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
30 |
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:25684 |
Serial |
1182 |
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| Permanent link to this record |
