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Records |
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Author |
Wang, G.; Xie, C.; Wang, H.; Li, Q.; Xia, F.; Zeng, W.; Peng, H.; Van Tendeloo, G.; Tan, G.; Tian, J.; Wu, J. |
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Title |
Mitigated oxygen loss in lithium-rich manganese-based cathode enabled by strong Zr-O affinity |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
Advanced functional materials |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
2313672 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Oxygen loss is a serious problem of lithium-rich layered oxide (LLO) cathodes, as the high capacity of LLO relies on reversible oxygen redox. Oxygen release can occur at the surface leading to the formation of spinel or rock salt structures. Also, the lattice oxygen will usually become unstable after long cycling, which remains a major roadblock in the application of LLO. Here, it is shown that Zr doping is an effective strategy to retain lattice oxygen in LLO due to the high affinity between Zr and O. A simple sol-gel method is used to dope Zr4+ into the LLOs to adjust the local electronic structure and inhibit the diffusion of oxygen anions to the surface during cycling. Compared with untreated LLOs, LLO-Zr cathodes exhibit a higher cycling stability, with 94% capacity retention after 100 cycles at 0.4 C, up to 223 mAh g-1 at 1 C, and 88% capacity retention after 300 cycles. Theoretical calculations show that due to the strong Zr-O covalent bonding, the formation energy of oxygen vacancies has effectively increased and the loss of lattice oxygen under high voltage can be suppressed. This study provides a simple method for developing high-capacity and cyclability Li-rich cathode materials for lithium-ion batteries. Oxygen release can occur at the cathode surface leading to the formation of spinel or rock salt structures. Here, it is shown that Zr doping is an effective strategy to retain lattice oxygen in lithium-rich layered oxides (LLO) due to the high affinity between Zr and O. LLO-Zr exhibit higher cycling stability, with 88% capacity retention after 300 cycles at 1 C. image |
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Language  |
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Wos |
001159843800001 |
Publication Date |
2024-02-10 |
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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 |
1616-301x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
19 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 19; 2024 IF: 12.124 |
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Call Number |
UA @ admin @ c:irua:203812 |
Serial |
9161 |
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Author |
Joy, R.M.; Pobedinskas, P.; Bourgeois, E.; Chakraborty, T.; Goerlitz, J.; Herrmann, D.; Noel, C.; Heupel, J.; Jannis, D.; Gauquelin, N.; D'Haen, J.; Verbeeck, J.; Popov, C.; Houssiau, L.; Becher, C.; Nesladek, M.; Haenen, K. |
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Title |
Photoluminescence of germanium-vacancy centers in nanocrystalline diamond films : implications for quantum sensing applications |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
ACS applied nano materials |
Abbreviated Journal |
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Volume |
7 |
Issue |
4 |
Pages |
3873-3884 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Point defects in diamond, promising candidates for nanoscale pressure- and temperature-sensing applications, are potentially scalable in polycrystalline diamond fabricated using the microwave plasma-enhanced chemical vapor deposition (MW PE CVD) technique. However, this approach introduces residual stress in the diamond films, leading to variations in the characteristic zero phonon line (ZPL) of the point defect in diamond. Here, we report the effect of residual stress on germanium-vacancy (GeV) centers in MW PE CVD nanocrystalline diamond (NCD) films fabricated using single crystal Ge as the substrate and solid dopant source. GeV ensemble formation indicated by the zero phonon line (ZPL) at similar to 602 nm is confirmed by room temperature (RT) photoluminescence (PL) measurements. PL mapping results show spatial nonuniformity in GeV formation along with other defects, including silicon-vacancy centers in the diamond films. The residual stress in NCD results in shifts in the PL peak positions. By estimating a stress shift coefficient of (2.9 +/- 0.9) nm/GPa, the GeV PL peak position in the NCD film is determined to be between 598.7 and 603.2 nm. A larger ground state splitting due to the strain on a GeV-incorporated NCD pillar at a low temperature (10 K) is also reported. We also report the observation of intense ZPLs at RT that in some cases could be related to low Ge concentration and the surrounding crystalline environment. In addition, we also observe thicker microcrystalline diamond (MCD) films delaminate from the Ge substrate due to film residual stress and graphitic phase at the diamond/Ge substrate interface (confirmed by electron energy loss spectroscopy). Using this approach, a free-standing color center incorporated MCD film with dimensions up to 1 x 1 cm(2) is fabricated. Qualitative analysis using time-of-flight secondary ion mass spectroscopy reveals the presence of impurities, including Ge and silicon, in the MCD film. Our experimental results will provide insights into the scalability of GeV fabrication using the MW PE CVD technique and effectively implement NCD-based nanoscale-sensing applications. |
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Corporate Author |
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Place of Publication |
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Editor |
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Language |
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Wos |
001164609600001 |
Publication Date |
2024-02-15 |
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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 |
2574-0970 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
5.9 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 5.9; 2024 IF: NA |
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Call Number |
UA @ admin @ c:irua:204826 |
Serial |
9164 |
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Author |
Tiwari, S.; Van de Put, M.; Sorée, B.; Hinkle, C.; Vandenberghe, W.G. |
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Title |
Reduction of magnetic interaction due to clustering in doped transition-metal dichalcogenides : a case study of Mn-, V-, and Fe-doped WSe₂ |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
ACS applied materials and interfaces |
Abbreviated Journal |
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Volume |
16 |
Issue |
4 |
Pages |
4991-4998 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Using Hubbard-U-corrected density functional theory calculations, lattice Monte Carlo simulations, and spin Monte Carlo simulations, we investigate the impact of dopant clustering on the magnetic properties of WSe2 doped with period four transition metals. We use manganese (Mn) and iron (Fe) as candidate n-type dopants and vanadium (V) as the candidate p-type dopant, substituting the tungsten (W) atom in WSe2. Specifically, we determine the strength of the exchange interaction in Fe-, Mn-, and V-doped WSe2 in the presence of clustering. We show that the clusters of dopants are energetically more stable than discretely doped systems. Further, we show that in the presence of dopant clustering, the magnetic exchange interaction significantly reduces because the magnetic order in clustered WSe2 becomes more itinerant. Finally, we show that the clustering of the dopant atoms has a detrimental effect on the magnetic interaction, and to obtain an optimal Curie temperature, it is important to control the distribution of the dopant atoms. |
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Place of Publication |
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Editor |
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Language |
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Wos |
001155511900001 |
Publication Date |
2024-01-18 |
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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 |
1944-8244 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.5 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 9.5; 2024 IF: 7.504 |
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Call Number |
UA @ admin @ c:irua:203830 |
Serial |
9169 |
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Author |
Hassani, N.; Movafegh-Ghadirli, A.; Mahdavifar, Z.; Peeters, F.M.; Neek-Amal, M. |
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Title |
Two new members of the covalent organic frameworks family : crystalline 2D-oxocarbon and 3D-borocarbon structures |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Computational materials science |
Abbreviated Journal |
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Volume |
241 |
Issue |
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Pages |
1-9 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Oxocarbons, known for over two centuries, have recently revealed a long-awaited facet: two-dimensional crystalline structures. Employing an intelligent global optimization algorithm (IGOA) alongside densityfunctional calculations, we unearthed a quasi -flat oxocarbon (C 6 0 6 ), featuring an oxygen -decorated hole, and a novel 3D-borocarbon. Comparative analyses with recently synthesized isostructures, such as 2D -porous carbon nitride (C 6 N 6 ) and 2D -porous boroxine (B 6 0 6 ), highlight the unique attributes of these compounds. All structures share a common stoichiometry of X 6 Y 6 (which we call COF-66), where X = B, C, and Y = B, N, O (with X not equal Y), exhibiting a 2D -crystalline structure, except for borocarbon C 6 B 6 , which forms a 3D crystal. In our comprehensive study, we conducted a detailed exploration of the electronic structure of X 6 Y 6 compounds, scrutinizing their thermodynamic properties and systematically evaluating phonon stability criteria. With expansive surface areas, diverse pore sizes, biocompatibility, pi-conjugation, and distinctive photoelectric properties, these structures, belonging to the covalent organic framework (COF) family, present enticing prospects for fundamental research and hold potential for biosensing applications. |
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Place of Publication |
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Language |
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Wos |
001215960700001 |
Publication Date |
2024-04-23 |
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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 |
0927-0256 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.3 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.3; 2024 IF: 2.292 |
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Call Number |
UA @ admin @ c:irua:206005 |
Serial |
9179 |
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Author |
Kocabas, T.; Samanta, B.; Barboza, E. da S.; Sevik, C.; Milošević, M.V.; Çakir, D. |
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Title |
Electron-phonon coupling and thermal conductivity of MAB compounds |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Physical review materials |
Abbreviated Journal |
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Volume |
8 |
Issue |
5 |
Pages |
055002-55011 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We investigated the electron-phonon ( e -ph ) coupling and vibrational thermal conductivity in the representative MAB compounds, namely MoAlB, WAlB, Tc 2 AlB 2 , and Cr 2 AlB 2 . The spectral distribution functions of e -ph interaction, obtained through ab initio linear-response calculations, reveal that the electron-phonon coupling values range from low (0.15) to moderate (0.58). With such e -ph coupling, out of the considered compounds, only Tc 2 AlB 2 exhibits a superconducting transition, at 4 K. We further evaluated the thermal conductivity and associated properties like scattering rates, obtained using ab initio and other methodologies. The latter included the iterative solution of the Peierls-Boltzmann transport equation, using HIPHIVE package for advanced optimization and machine learning techniques, and employing maximum likelihood estimation to approximate scattering rates from a limited set of scattering processes. We found that these methods yield nearly identical predictions for thermal conductivity values, with a significant decrease in the computational cost compared to the first-principles methods. We examined interactions arising from both three-phonon (3 ph ) and four -phonon (4 ph ) scattering processes. The 4 ph interactions demonstrated a smaller yet significant impact on the overall vibrational thermal conductivity, most notably in Tc 2 AlB 2 . Our findings indicate that Cr 2 AlB 2 has the highest thermal conductivity across all considered crystal directions, with the thermal conductivity being spatially anisotropic, most pronouncedly in Tc 2 AlB 2 . Finally, we show that empirical expressions based on Slack models are well suited for screening the thermal conductivity properties of MAB phases, and can be employed to establish upper and lower limits of their thermal conductivity. |
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Place of Publication |
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Language |
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Wos |
001231927600005 |
Publication Date |
2024-05-21 |
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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 |
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Series Issue |
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Edition |
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ISSN |
2475-9953 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.4 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.4; 2024 IF: NA |
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Call Number |
UA @ admin @ c:irua:206590 |
Serial |
9286 |
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Author |
Huang, S.; Houwman, E.; Gauquelin, N.; Orekhov, A.; Chezganov, D.; Verbeeck, J.; Hu, S.; Zhong, G.; Koster, G.; Rijnders, G. |
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Title |
Enhanced piezoelectricity by polarization rotation through thermal strain manipulation in PbZr0.6Ti0.4O3 thin films |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Advanced Materials Interfaces |
Abbreviated Journal |
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Volume |
11 |
Issue |
19 |
Pages |
2400048-2400049 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Lead based bulk piezoelectric materials, e.g., PbZrxTi1-xO3 (PZT), are widely used in electromechanical applications, sensors, and transducers, for which optimally performing thin films are needed. The results of a multi-domain Landau-Ginzberg-Devonshire model applicable to clamped ferroelectric thin films are used to predict the lattice symmetry and properties of clamped PZT thin films on different substrates. Guided by the thermal strain phase diagrams that are produced by this model, experimentally structural transitions are observed. These can be related to changes of the piezoelectric properties in PZT(x = 0.6) thin films that are grown on CaF2, SrTiO3 (STO) and 70% PbMg1/3Nb2/3O3-30% PbTiO3 (PMN-PT) substrates by pulsed laser deposition. Through temperature en field dependent in situ X-ray reciprocal space mapping (RSMs) and piezoelectric force microscopy (PFM), the low symmetry monoclinic phase and polarization rotation are observed in the film on STO and can be linked to the measured enhanced properties. The study identifies a monoclinic -rhombohedral M-C-M-A-R crystal symmetry path as the polarization rotation mechanism. The films on CaF2 and PMN-PT remain in the same symmetry phase up to the ferroelectric-paraelectric phase transition, as predicted. These results support the validity of the multi-domain model which provides the possibility to predict the behavior of clamped, piezoelectric PZT thin films, and design films with enhanced properties. |
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Place of Publication |
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Language |
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Wos |
001240425700001 |
Publication Date |
2024-06-07 |
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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 |
2196-7350 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
5.4 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 5.4; 2024 IF: 4.279 |
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Call Number |
UA @ admin @ c:irua:206593 |
Serial |
9287 |
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Author |
Šoškić, B.N.; Bekaert, J.; Sevik, C.; Šljivančanin, Ž.; Milošević, M.V. |
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Title |
First-principles exploration of superconductivity in intercalated bilayer borophene phases |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Physical review materials |
Abbreviated Journal |
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Volume |
8 |
Issue |
6 |
Pages |
064803-64811 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We explore the emergence of phonon-mediated superconductivity in bilayer borophenes by controlled intercalation with elements from the groups of alkali, alkaline-earth, and transition metals, using systematic first-principles and Eliashberg calculations. We show that the superconducting properties are primarily governed by the interplay between the out-of-plane (????????) boron states and the partially occupied in-plane (????+????????,????) bonding states at the Fermi level. Our Eliashberg calculations indicate that intercalation with alkaline-earth-metal elements leads to the highest superconducting critical temperatures (????????). Specifically, Be in ????4, Mg in ????3, and Ca in the kagome bilayer borophene demonstrate superior performance with ???????? reaching up to 58 K. Our study therefore reveals that intercalated bilayer borophene phases are not only more resilient to chemical deterioration, but also harbor enhanced ???????? values compared to their monolayer counterparts, underscoring their substantial potential for the development of boron-based two-dimensional superconductors. |
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Wos |
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001254 |
Publication Date |
2024-06-24 |
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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 |
2475-9953 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.4 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.4; 2024 IF: NA |
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Call Number |
UA @ admin @ c:irua:206919 |
Serial |
9290 |
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Author |
Folkers, B.; Jansen, T.; Roskamp, T.J.; Reith, P.; Timmermans, A.; Jannis, D.; Gauquelin, N.; Verbeeck, J.; Hilgenkamp, H.; Rosario, C.M.M. |
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Title |
Imaging the suppression of ferromagnetism in LaMnO₃ by metallic overlayers |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Physical review materials |
Abbreviated Journal |
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Volume |
8 |
Issue |
5 |
Pages |
054408-6 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
LaMnO 3 (LMO) thin films epitaxially grown on SrTiO 3 (STO) usually exhibit ferromagnetism above a critical layer thickness. We report the use of scanning SQUID microscopy (SSM) to study the suppression of the ferromagnetism in STO / LMO / metal structures. By partially covering the LMO surface with a metallic layer, both covered and uncovered LMO regions can be studied simultaneously. While Au does not significantly influence the ferromagnetic order of the underlying LMO film, a thin Ti layer induces a strong suppression of the ferromagnetism, over tens of nanometers, which increases with time on a timescale of days. Detailed electron energy loss spectroscopy analysis of the Ti-LaMnO 3 interface reveals the presence of Mn 2 + and an evolution of the Ti valence state from Ti 0 to Ti 4 + over approximately 5 nm. Furthermore, we demonstrate that by patterning Ti / Au overlayers, we can locally suppress the ferromagnetism and define ferromagnetic structures down to sub -micrometer scales. |
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Place of Publication |
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Language |
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Wos |
001239765800005 |
Publication Date |
2024-05-13 |
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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 |
2475-9953 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.4 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.4; 2024 IF: NA |
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Call Number |
UA @ admin @ c:irua:206555 |
Serial |
9297 |
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Author |
Tian, X.; Xie, X.; Li, J.; Kong, X.; Gong, W.-J.; Peeters, F.M.; Li, L. |
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Title |
Multiferroic ScLaX₂ (X = P, As, and Sb) monolayers : bidirectional negative Poisson's ratio effects and phase transformations driven by rare-earth (main-group) elements |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Physical review materials |
Abbreviated Journal |
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Volume |
8 |
Issue |
8 |
Pages |
084407-84411 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The combination of auxetic property, ferroelasticity, and ferroelectricity in two-dimensional materials offers new avenues for next-generation multifunctional devices. However, two-dimensional materials that simultaneously exhibit those properties are rarely reported. Here, we present a class of two-dimensional Janus-like structures ScLaX2 X 2 (X X = P, As, and Sb) with a rectangular lattice based on first-principles calculations. We predict that those ScLaX2 X 2 monolayers are stable semiconductors with both intrinsic in-plane and out-of-plane auxetic properties, showing a bidirectional negative Poisson's ratio effect. The value of the out-of-plane negative Poisson's ratio effect can reach – 2.28 /- 3.06 /- 3.89. By applying uniaxial strain engineering, two transition paths can be found, including the VA main group element path and the rare-earth metal element path, corresponding to the ferroelastic and the multiferroic (ferroelastic and ferroelectric) phase transition, respectively. For the ScLaSb2 2 monolayer, the external force field can not only control the ferroelastic phase transition, but it can also lead to the reversal of the out-of-plane polarization, exhibiting potential multiferroicity. The coupling between the bidirectional negative Poisson's ratio effect and multiferroicity makes the ScLaX2 X 2 monolayers promising for future device applications. |
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Wos |
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001293 |
Publication Date |
2024-08-13 |
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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 |
2475-9953 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.4 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.4; 2024 IF: NA |
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Call Number |
UA @ admin @ c:irua:207592 |
Serial |
9306 |
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Author |
Kandemir, Z.; D'Amico, P.; Sesti, G.; Cardoso, C.; Milošević, M.V.; Sevik, C. |
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Title |
Optical properties of metallic MXene multilayers through advanced first-principles calculations |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Physical review materials |
Abbreviated Journal |
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Volume |
8 |
Issue |
7 |
Pages |
075201-75210 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Having a strong electromagnetic absorption, MXene multilayers are readily envisaged for applications in electromagnetic shields and related prospective technology. However, an ab initio characterization of the optical properties of MXenes is still lacking, due in part to major difficulties with the treatment of metallicity in the first-principles approaches. Here we addressed the latter challenge, after a careful treatment of intraband transitions, to present a thorough analysis of the electronic and optical properties of a selected set of metallic MXene layers based on density functional theory (DFT) and many-body perturbation theory calculations. Our results reveal that the GW corrections are particularly important in regions of the band structure where d and p states hybridize. For some systems, we show that GW corrections open a gap between occupied states, resulting in a band structure that closely resembles that of an intrinsic transparent conductor, thereby opening an additional line of prospective applications for the MXenes family. Nevertheless, GW and Bethe-Salpeter corrections have a minimal influence on the absorption spectra, in contrast to what is typically observed in semiconductor layers. Our present results suggest that calculations within the independent particle approximation (IPA) calculations are sufficiently accurate for assessing the optical characteristics of bulk-layered MXene materials. Finally, our calculated dielectric properties and absorption spectra, in agreement with existing experimental data, confirm the potential of MXenes as effective infrared emitters. |
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Wos |
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001275 |
Publication Date |
2024-07-22 |
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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 |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.4 |
Times cited |
|
Open Access |
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| |
Notes |
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Approved |
Most recent IF: 3.4; 2024 IF: NA |
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Call Number |
UA @ admin @ c:irua:207597 |
Serial |
9309 |
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| Permanent link to this record |
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Author |
Yari, S.; Bird, L.; Rahimisheikh, S.; Reis, A.C.; Mohammad, M.; Hadermann, J.; Robinson, J.; Shearing, P.R.; Safari, M. |
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Title |
Probing charge transport and microstructural attributes in solvent- versus water-based electrodes with a spotlight on Li-S battery cathode |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
Advanced energy materials |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
2402163 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
In the quest for environmentally benign battery technologies, this study examines the microstructural and transport properties of water-processed electrodes and compares them to conventionally formulated electrodes using the toxic solvent, N-Methyl-2-pyrrolidone (NMP). Special focus is placed on sulfur electrodes utilized in lithium-sulfur batteries for their sustainability and compatibility with diverse binder/solvent systems. The characterization of the electrodes by X-ray micro-computed tomography reveals that in polyvinylidene fluoride (PVDF) Lithium bis(trifluoromethanesulfonyl)imide/NMP, sulfur particles tend to remain in large clusters but break down into finer particles in carboxymethyl cellulose-styrene butadiene rubber (CMC-SBR)/water and lithium polyacrylate (LiPAA)/water dispersions. The findings reveal that in the water-based electrodes, the binder properties dictate the spatial arrangement of carbon particles, resulting in either thick aggregates with short-range connectivity or thin films with long-range connectivity among sulfur particles. Additionally, cracking is found to be particularly prominent in thicker water-based electrodes, propagating especially in regions with larger particle agglomerates and often extending to cause local delamination of the electrodes. These microstructural details are shown to significantly impact the tortuosity and contact resistance of the sulfur electrodes and thereby affecting the cycling performance of the Li-S battery cells. The choice of solvent and binder is crucial in determining particle surface charge, which directly influences active material dispersion and carbon-binder arrangement within the battery porous electrodes. This, in turn, affects ionic and electronic transport properties, ultimately impacting electrochemical performance. Meticulous engineering of the slurry to control these factors is essential for efficient and sustainable water-based electrode processing. image |
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Place of Publication |
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Wos |
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001291 |
Publication Date |
2024-08-16 |
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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 |
1614-6832; 1614-6840 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
27.8 |
Times cited |
|
Open Access |
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| |
Notes |
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Approved |
Most recent IF: 27.8; 2024 IF: 16.721 |
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Call Number |
UA @ admin @ c:irua:207624 |
Serial |
9311 |
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| Permanent link to this record |
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Author |
Gonzalez-Garcia, A.; Bacaksiz, C.; Frauenheim, T.; Milošević, M.V. |
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Title |
Strong spin-lattice coupling and high-temperature magnetic ordering in monolayer chromium dichalcogenides |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
Physical review materials |
Abbreviated Journal |
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Volume |
8 |
Issue |
6 |
Pages |
064001-64009 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We detail the magnetic properties of monolayer CrX2 and its Janus counterparts CrXY (X, Y = S, Se, Te, with X not equal Y) using ab initio methods and Landau-Lifshitz-Gilbert magnetization dynamics, and uncover the pronouncedly strong interplay between their structure symmetry and the magnetic order. The relaxation of nonmagnetic chalcogen atoms, that carry large spin-orbit coupling, changes the energetically preferential magnetic order between in-plane antiferromagnetic and tilted ferromagnetic one. The considered Janus monolayers exhibit sizable Dzyaloshinskii-Moriya interaction, in some cases above 20% of the isotropic exchange, and critical temperature of the long-range magnetic order in the vicinity or even significantly above the room temperature. |
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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 |
001247462600001 |
Publication Date |
2024-06-13 |
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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 |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.4 |
Times cited |
|
Open Access |
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Notes |
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Approved |
Most recent IF: 3.4; 2024 IF: NA |
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Call Number |
UA @ admin @ c:irua:206660 |
Serial |
9317 |
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| Permanent link to this record |
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Author |
Hoekx, S.; Daems, N.; Arenas Esteban, D.; Bals, S.; Breugelmans, T. |
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Title |
Toward the rational design of Cu electrocatalysts for improved performance of the NO3RR |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
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| |
Volume |
7 |
Issue |
9 |
Pages |
3761-3775 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) |
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Abstract |
Cu is one of the most promising materials as an electrocatalyst for the nitrate reduction reaction (NO3RR) to ammonia, a reaction that can simultaneously remove nitrates from wastewater and produce ammonia, a high-value commodity chemical. However, a rational approach to catalyst design is lacking, limiting efficient catalyst optimization. In this work, we propose a way to synthesize monodisperse, polycrystalline Cu NPs with small variances in size by changing the carbon chain length of the phosphonic acid-based ligand. Cu NPs with 8.3, 10.0, and 11.9 nm diameters are successfully synthesized, and high-resolution electron microscopy and tomography are used to characterize these NPs in depth. By isolating Cu NP size as a parameter, we can unequivocally establish its effect on electrochemical performance for the NO3RR to ammonia under optimal operating conditions for the catalyst (0.1 M KOH electrolyte at -1.25 V vs RHE, as established in the first phase). The smallest Cu NPs (8.3 nm with a TDPA ligand) perform best, achieving Faradaic efficiencies (FEs) of 85.4% and absolute current densities of similar to 250 mA cm(-2), with increasing current densities and constant FEs as the particle size decreases. To allow for a rational approach to Cu-based catalyst design from a stability perspective, this work completed a first study of the main degradation pathway that the Cu NPs undergo during NO3RR. High-resolution electron microscopy and tomography are used to characterize the particles at various stages of the reaction. The NPs undergo agglomeration, pulverization, and particle detachment due to the reaction, starting at a particle size of 8.3 nm and progressively getting smaller, but leveling off, until a NP size of 2.6 nm is reached after 2 h of electrolysis. This decrease in NP size goes paired with a decrease in FE from 83% after the first 15 min to 74% after 2 h at -0.75 V vs RHE, despite the increase in active surface area. These insights into the most prominent degradation mechanisms allow for rational adjustments to future catalysts to combat these changes; for example, by embedding NPs in a tailored support, morphological degradation could be impeded. Therefore, these insights allow for a rational approach to the improvement of the stability of Cu-based catalysts for the NO3RR, a very important but often an overlooked aspect of catalyst design. |
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Corporate Author |
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Place of Publication |
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Wos |
001228056800001 |
Publication Date |
2024-04-30 |
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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 |
2574-0962 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.4 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 6.4; 2024 IF: NA |
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Call Number |
UA @ admin @ c:irua:206469 |
Serial |
9323 |
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| Permanent link to this record |
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Author |
Shafiei, M.; Fazileh, F.; Peeters, F.M.; Milošević, M.V. |
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Title |
Tuning the quantum phase transition of an ultrathin magnetic topological insulator |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
Physical review materials |
Abbreviated Journal |
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Volume |
8 |
Issue |
7 |
Pages |
074201-74208 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We explore the effect of thickness, magnetization direction, strain, and gating on the topological quantum phase transition of a thin-film magnetic topological insulator. Reducing the film thickness to the ultrathin regime couples the edge states on the two surfaces, opening a gap known as the hybridization gap, and causing a phase transition from a topological insulator to a normal insulator (NI). An out-of-plane/in-plane magnetization of size proportional to the hybridization gap triggers a phase transition from a normal insulator state to a quantum anomalous Hall (QAH)/semimetal state. A magnetization tilt by angle 0 from the out-of-plane axis influences the topological phase transition in a way that for sufficiently large 0, no phase transition from NI to QAH can be observed regardless of the sample thickness or magnetization, and for 0 close to pi /2 the system transits to a semimetal phase. Furthermore, we demonstrate that compressive/tensile strain can be used to decrease/increase the magnetization threshold for the topological phase transition. Finally, we reveal the effect of a vertical potential acting on the film, be it due to the substrate or applied gating, which breaks inversion symmetry and raises the magnetization threshold for the transition from NI to QAH state. |
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Wos |
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001281 |
Publication Date |
2024-07-25 |
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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 |
2475-9953 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.4 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.4; 2024 IF: NA |
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Call Number |
UA @ admin @ c:irua:207598 |
Serial |
9324 |
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Author |
Vávra, O.; Gaži, S.; Golubović, D.S.; Vávra, I.; Dérer, J.; Verbeeck, J.; Van Tendeloo, G.; Moshchalkov, V.V. |
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Title |
0 and π phase Josephson coupling through an insulating barrier with magnetic impurities |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
74 |
Issue |
2 |
Pages |
020502 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We have studied the temperature and field dependencies of the critical current I(C) in the Nb-Fe(0.1)Si(0.9)-Nb Josephson junction with a tunneling barrier formed by a paramagnetic insulator. We demonstrate that in these junctions coexistence of both the 0 and the pi states within one tunnel junction occurs, and leads to the appearance of a sharp cusp in the temperature dependence I(C)(T), similar to the I(C)(T) cusp found for the 0-pi transition in metallic pi junctions. This cusp is not related to the 0-pi temperature-induced transition itself, but is caused by the different temperature dependencies of the opposing 0 and pi supercurrents through the barrier. |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000239426600010 |
Publication Date |
2006-07-15 |
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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 |
27 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2006 IF: 3.107 |
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Call Number |
UA @ lucian @ c:irua:60087 c:irua:60087 c:irua:60087 c:irua:60087UA @ admin @ c:irua:60087 |
Serial |
1 |
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Author |
Van Tendeloo, G.; Bals, S.; Van Aert, S.; Verbeeck, J.; van Dyck, D. |
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Title |
Advanced electron microscopy for advanced materials |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Advanced materials |
Abbreviated Journal |
Adv Mater |
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Volume |
24 |
Issue |
42 |
Pages |
5655-5675 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Vision lab |
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Abstract |
The idea of this Review is to introduce newly developed possibilities of advanced electron microscopy to the materials science community. Over the last decade, electron microscopy has evolved into a full analytical tool, able to provide atomic scale information on the position, nature, and even the valency atoms. This information is classically obtained in two dimensions (2D), but can now also be obtained in 3D. We show examples of applications in the field of nanoparticles and interfaces. |
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Corporate Author |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000310602200001 |
Publication Date |
2012-08-21 |
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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 |
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Series Issue |
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Edition |
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ISSN |
0935-9648; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
19.791 |
Times cited |
107 |
Open Access |
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Notes |
This work was supported by funding from the European Research Council under the 7th Framework Program (FP7), ERC grant No 246791 – COUNTATOMS. J.V. Acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant 278510 VORTEX. The authors gratefully acknowledge funding from the Research Foundation Flanders (FWO, Belgium). The Qu-Ant-EM microscope was partly funded by the Hercules Fund from the Flemish Government. We thank Rafal Dunin-Borkowski for providing Figure 5d. The authors would like to thank the colleagues who have contributed to this work over the years, including K.J. Batenburg, R. Erni, B. Goris, F. Leroux, H. Lichte, A. Lubk, B. Partoens, M. D. Rossell, P. Schattschneider, B. Schoeters, D. Schryvers, H. Tan, H. Tian, S. Turner, M. van Huis. ECASJO_; |
Approved |
Most recent IF: 19.791; 2012 IF: 14.829 |
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Call Number |
UA @ lucian @ c:irua:100470UA @ admin @ c:irua:100470 |
Serial |
70 |
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| Permanent link to this record |
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Author |
Iyikanat, F.; Sahin, H.; Senger, R.T.; Peeters, F.M. |
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Title |
Ag and Au atoms intercalated in bilayer heterostructures of transition metal dichalcogenides and graphene |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
APL materials |
Abbreviated Journal |
Apl Mater |
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Volume |
2 |
Issue |
9 |
Pages |
092801 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
The diffusive motion of metal nanoparticles Au and Ag on monolayer and between bilayer heterostructures of transition metal dichalcogenides and graphene are investigated in the framework of density functional theory. We found that the minimum energy barriers for diffusion and the possibility of cluster formation depend strongly on both the type of nanoparticle and the type of monolayers and bilayers. Moreover, the tendency to form clusters of Ag and Au can be tuned by creating various bilayers. Tunability of the diffusion characteristics of adatoms in van der Waals heterostructures holds promise for controllable growth of nanostructures. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. |
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Place of Publication |
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Wos |
000342568000020 |
Publication Date |
2014-08-28 |
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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 |
2166-532X |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.335 |
Times cited |
10 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus Marie Curie Fellowship. F.I. and R.T.S. acknowledge the support from TUBITAK Project No. 111T318. ; |
Approved |
Most recent IF: 4.335; 2014 IF: NA |
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Call Number |
UA @ lucian @ c:irua:119950 |
Serial |
82 |
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Author |
Turner, S.; Verbeeck, J.; Ramezanipour, F.; Greedan, J.E.; Van Tendeloo, G.; Botton, G.A. |
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Title |
Atomic resolution coordination mapping in Ca2FeCoO5 brownmillerite by spatially resolved electron energy-loss spectroscopy |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
24 |
Issue |
10 |
Pages |
1904-1909 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Using a combination of high-angle annular dark field scanning transmission electron microscopy and atomically resolved electron energy-loss spectroscopy at high energy resolution in an aberration-corrected electron microscope, we demonstrate the capability of coordination mapping in complex oxides. Brownmillerite compound Ca2FeCoO5, consisting of repetitive octahedral and tetrahedral coordination layers with Fe and Co in a fixed 3+ valency, is selected to demonstrate the principle of atomic resolution coordination mapping. Analysis of the Co-L2,3 and the Fe-L2,3 edges shows small variations in the fine structure that can be specifically attributed to Co/Fe in tetrahedral or in octahedral coordination. Using internal reference spectra, we show that the coordination of the Fe and Co atoms in the compound can be mapped at atomic resolution. |
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Corporate Author |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000304237500024 |
Publication Date |
2012-04-25 |
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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 |
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 |
33 |
Open Access |
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Notes |
A.M. Abakumov is thanked for fruitful discussions. S.T. gratefully acknowledges the Fund for Scientific Research Flanders (FWO). J.E.G. and GAB. acknowledge the support of the NSERC of Canada through Discovery Grants. The Canadian Centre for Electron Microscopy is a National Facility supported by NSERC and McMaster University and was funded by the Canada Foundation for Innovation and the Ontario Government. Part of this work was supported by funding from the European Research Council under the FP7, ERC Grant N 246791 COUNTATOMS and ERC Starting Grant N 278510 VORTEX. The EMAT microscope is partially funded by the Hercules fund of the Flemish Government. ECASJO_; |
Approved |
Most recent IF: 9.466; 2012 IF: 8.238 |
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Call Number |
UA @ lucian @ c:irua:98379UA @ admin @ c:irua:98379 |
Serial |
175 |
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Author |
Peirs, J.; Verleysen, P.; Tirry, W.; Rabet, L.; Schryvers, D.; Degrieck, J. |
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Title |
Dynamic shear localization in Ti6Al4V |
Type |
P1 Proceeding |
| |
Year |
2011 |
Publication |
Procedia Engineering
T2 – 11th International Conference on the Mechanical Behavior of Materials, (ICM), 2011, Como, ITALY (ICM11) |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
1-6 |
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Keywords |
P1 Proceeding; Electron microscopy for materials research (EMAT) |
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Abstract |
The alloy Ti6Al4V is known to be prone to the formation of adiabatic shear bands when dynamically loaded in shear. This causes a catastrophic decrease of the load carrying capacity and is usually followed by fracture. Although, the main mechanism is recognized to be the competition between strain hardening and thermal softening, a detailed understanding of the role of microstructural plasticity mechanisms and macroscopic loading conditions does not exist yet. To study strain localization and shear fracture, different high strain rate shear tests have been carried out: compression of hat-shaped specimens, torsion of thin walled tubular specimens and in-plane shear tests. The value of the three techniques in studying shear localization is evaluated. Post-mortem analysis of the fracture surface and the materials' microstructure is performed with optical and electron microscopy. In all cases a ductile fracture is observed. SEM and TEM techniques are used to study the local microstructure and composition in the shear band and as such the driving mechanism for the ASB formation. (C) 2011 Published by Elsevier Ltd. Selection and/or peer-review under responsibility of ICM11 |
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Language |
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Wos |
000300451302060 |
Publication Date |
2011-06-20 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
10 |
Series Issue |
|
Edition |
|
|
| |
ISSN |
1877-7058; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
4 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:113069 |
Serial |
767 |
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| Permanent link to this record |
| |
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| |
|
Author |
Kerkhofs, S.; Willhammar, T.; Van Den Noortgate, H.; Kirschhock, C.E.A.; Breynaert, E.; Van Tendeloo, G.; Bals, S.; Martens, J.A. |
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| |
Title |
Self-Assembly of Pluronic F127—Silica Spherical Core–Shell Nanoparticles in Cubic Close-Packed Structures |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
|
| |
Volume |
27 |
Issue |
27 |
Pages |
5161-5169 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
A new ordered mesoporous silica material (COK-19) with cubic symmetry is synthesized by silicate polycondensation in a citric acid/citrate buffered micellar solution of Pluronic F127 triblock copolymer near neutral pH. SAXS, nitrogen adsorption, TEM, and electron tomography reveal the final material has a cubic close packed symmetry (Fm3̅m) with isolated spherical mesopores interconnected through micropores. Heating of the synthesis medium from room temperature to 70 °C results in a mesopore size increase from 7.0 to 11.2 nm. Stepwise addition of the silicate source allows isolation of a sequence of intermediates that upon characterization with small-angle X-ray scattering uncovers the formation process via formation and aggregation of individual silica-covered Pluronic micelles. |
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| |
Address |
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| |
Corporate Author |
|
Thesis |
|
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| |
Publisher |
|
Place of Publication |
|
Editor |
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|
| |
Language |
|
Wos |
000359499100003 |
Publication Date |
2015-07-24 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0897-4756 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
9.466 |
Times cited |
39 |
Open Access |
OpenAccess |
|
| |
Notes |
J.A.M. acknowledges the Flemish government for long-term structural funding (Methusalem, METH/08/04). The Belgian government is acknowledged for financing the interuniversity poles of attraction (IAP-PAI, P7/05 FS2). G.V.T., S.B. and T.W. acknowledge financial support from European Research Council (ERC Starting Grant no. 335078-COLOURATOMS). E.B. acknowledges financial support the Flemish FWO for a postdoctoral fellowship (1265013N). The authors gratefully thank Kristof Houthoofd for performing the NMR experiments.; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 9.466; 2015 IF: 8.354 |
|
| |
Call Number |
c:irua:127758 |
Serial |
3977 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Huijben, M.; Rijnders, G.; Blank, D.H.A.; Bals, S.; Van Aert, S.; Verbeeck, J.; Van Tendeloo, G.; Brinkman, A.; Hilgenkamp, H. |
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| |
Title |
Electronically coupled complementary interfaces between perovskite band insulators |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Nature materials |
Abbreviated Journal |
Nat Mater |
|
| |
Volume |
5 |
Issue |
|
Pages |
556-560 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
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| |
Publisher |
|
Place of Publication |
London |
Editor |
|
|
| |
Language |
|
Wos |
000238708900021 |
Publication Date |
2006-06-18 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1476-1122;1476-4660; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
39.737 |
Times cited |
315 |
Open Access |
|
|
| |
Notes |
Fwo |
Approved |
Most recent IF: 39.737; 2006 IF: 19.194 |
|
| |
Call Number |
UA @ lucian @ c:irua:59713UA @ admin @ c:irua:59713 |
Serial |
1019 |
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| Permanent link to this record |
| |
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| |
|
Author |
Hamon, A.-L.; Verbeeck, J.; Schryvers, D.; Benedikt, J.; van den Sanden, R.M.C.M. |
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| |
Title |
ELNES study of carbon K-edge spectra of plasma deposited carbon films |
Type |
A1 Journal article |
| |
Year |
2004 |
Publication |
Journal of materials chemistry |
Abbreviated Journal |
J Mater Chem |
|
| |
Volume |
14 |
Issue |
|
Pages |
2030-2035 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Electron energy loss spectroscopy was used to investigate the bonding of plasma deposited carbon films. The experimental conditions include the use of a specific collection angle for which the shape of the spectra is free of the orientation dependency usually encountered in graphite due to its anisotropic structure. The first quantification process of the energy loss near-edge structure was performed by a standard fit of the collected spectrum, corrected for background and multiple scattering, with three Gaussian functions followed by a comparison with the graphite spectrum obtained under equivalent experimental conditions. In a second approach a fitting model directly incorporating the background subtraction and multiple scattering removal was applied. The final numerical results are interpreted in view of the deposition conditions of the films and the actual fitting procedure with the related choice of parameters. |
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| |
Address |
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Corporate Author |
|
Thesis |
|
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| |
Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
|
| |
Language |
|
Wos |
000222312500017 |
Publication Date |
2004-06-28 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0959-9428;1364-5501; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
6.626 |
Times cited |
61 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:48782UA @ admin @ c:irua:48782 |
Serial |
1025 |
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| Permanent link to this record |
| |
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| |
|
Author |
Scalise, E.; Houssa, M.; Cinquanta, E.; Grazianetti, C.; van den Broek, B.; Pourtois, G.; Stesmans, A.; Fanciulli, M.; Molle, A. |
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| |
Title |
Engineering the electronic properties of silicene by tuning the composition of MoX2 and GaX (X = S,Se,Te) chalchogenide templates |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
2D materials |
Abbreviated Journal |
2D Mater |
|
| |
Volume |
1 |
Issue |
1 |
Pages |
011010 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
By using first-principles simulations, we investigate the interaction of a 2D silicon layer with two classes of chalcogenide-layered compounds, namely MoX2 and GaX (X = S, Se, Te). A rather weak (van der Waals) interaction between the silicene layers and the chalcogenide layers is predicted. We found that the buckling of the silicene layer is correlated to the lattice mismatch between the silicene layer and the MoX2 or GaX template. The electronic properties of silicene on these different templates largely depend on the buckling of the silicene layer: highly buckled silicene on MoS2 is predicted to be metallic, while low buckled silicene on GaS and GaSe is predicted to be semi-metallic, with preserved Dirac cones at the K points. These results indicate new routes for artificially engineering silicene nanosheets, providing tailored electronic properties of this 2D layer on non-metallic substrates. These non-metallic templates also open the way to the possible integration of silicene in future nanoelectronic devices. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
IOP Publishing |
Place of Publication |
Bristol |
Editor |
|
|
| |
Language |
|
Wos |
000353649900011 |
Publication Date |
2014-05-29 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2053-1583; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
6.937 |
Times cited |
49 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 6.937; 2014 IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:126032 |
Serial |
1048 |
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| Permanent link to this record |
| |
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| |
|
Author |
Angelakeris, M.; Li, Z.A.; Hilgendorff, M.; Simeonidis, K.; Sakellari, D.; Filippousi, M.; Tian, H.; Van Tendeloo, G.; Spasova, M.; Acet, M.; Farle, M. |
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| |
Title |
Enhanced biomedical heat-triggered carriers via nanomagnetism tuning in ferrite-based nanoparticles |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Journal of magnetism and magnetic materials |
Abbreviated Journal |
J Magn Magn Mater |
|
| |
Volume |
381 |
Issue |
381 |
Pages |
179-187 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Biomedical nanomagnetic carriers are getting a higher impact in therapy and diagnosis schemes while their constraints and prerequisites are more and more successfully confronted. Such particles should possess a well-defined size with minimum agglomeration and they should be synthesized in a facile and reproducible high-yield way together with a controllable response to an applied static or dynamic field tailored for the specific application. Here, we attempt to enhance the heating efficiency in magnetic particle hyperthermia treatment through the proper adjustment of the core-shell morphology in ferrite particles, by controlling exchange and dipolar magnetic interactions at the nanoscale. Thus, core-shell nanoparticles with mutual coupling of magnetically hard (CoFe2O4) and soft (MnFe2O4) components are synthesized with facile synthetic controls resulting in uniform size and shell thickness as evidenced by high resolution transmission electron microscopy imaging, excellent crystallinity and size monodispersity. Such a magnetic coupling enables the fine tuning of magnetic anisotropy and magnetic interactions without sparing the good structural, chemical and colloidal stability. Consequently, the magnetic heating efficiency of CoFe2O4. and MnFe2O4 core-shell nanoparticles is distinctively different horn that of their counterparts, even though all these nanocrystals were synthesized under similar conditions. For better understanding of the AC magnetic hyperthermia response and its correlation with magnetic-origin features we study the effect of the volume ratio of magnetic hard and soft phases in the bimagnetic core-shell nanocrystals. Eventually, such particles may be considered as novel heating carriers that under further biomedical functionalization may become adaptable multifunctional heat-triggered nanoplatforms. (C) 2014 Elsevier B.V. All rights reserved. |
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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 |
Amsterdam |
Editor |
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| |
Language |
|
Wos |
000349361100027 |
Publication Date |
2014-12-29 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0304-8853; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.63 |
Times cited |
20 |
Open Access |
|
|
| |
Notes |
312483 Esteem2; Esteem2_ta |
Approved |
Most recent IF: 2.63; 2015 IF: 1.970 |
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| |
Call Number |
c:irua:125284 c:irua:125284 |
Serial |
1049 |
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| Permanent link to this record |
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| |
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Author |
Huijben, M.; Liu, Y.; Boschker, H.; Lauter, V.; Egoavil, R.; Verbeeck, J.; te Velthuis, S.G.E.; Rijnders, G.; Koster, G. |
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| |
Title |
Enhanced local magnetization by interface engineering in perovskite-type correlated oxide heterostructures |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Advanced Materials Interfaces |
Abbreviated Journal |
Adv Mater Interfaces |
|
| |
Volume |
2 |
Issue |
2 |
Pages |
1400416 |
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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 |
|
Thesis |
|
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| |
Publisher |
|
Place of Publication |
|
Editor |
|
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| |
Language |
|
Wos |
000349916000001 |
Publication Date |
2015-01-02 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2196-7350; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.279 |
Times cited |
30 |
Open Access |
|
|
| |
Notes |
Hercules; 246791 COUNTATOMS; 278510 VORTEX; 246102 IFOX; 312483 ESTEEM2; FWO G004413N; esteem2jra3 ECASJO; |
Approved |
Most recent IF: 4.279; 2015 IF: NA |
|
| |
Call Number |
c:irua:125333 c:irua:125333UA @ admin @ c:irua:125333 |
Serial |
1052 |
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| Permanent link to this record |
| |
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| |
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Author |
Breynaert, E.; Emmerich, J.; Mustafa, D.; Bajpe, S.R.; Altantzis, T.; Van Havenbergh, K.; Taulelle, F.; Bals, S.; Van Tendeloo, G.; Kirschhock, C.E.A.; Martens, J.A.; |
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| |
Title |
Enhanced self-assembly of metal oxides and metal-organic frameworks from precursors with magnetohydrodynamically induced long-lived collective spin states |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Advanced materials |
Abbreviated Journal |
Adv Mater |
|
| |
Volume |
26 |
Issue |
30 |
Pages |
5173-5178 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Magneto-hydrodynamic generation of long-lived collective spin states and their impact on crystal morphology is demonstrated for three different, technologically relevant materials: COK-16 metal organic framework, manganese oxide nanotubes, and vanadium oxide nano-scrolls. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Weinheim |
Editor |
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| |
Language |
|
Wos |
000340546300015 |
Publication Date |
2014-06-02 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0935-9648; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
19.791 |
Times cited |
7 |
Open Access |
OpenAccess |
|
| |
Notes |
IAP-PAI; Marie Curie IEF; 262348 ESMI; 335078 COLOURATOM; 246791 COUNTATOMS; IWT; Methusalem; FWO; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); |
Approved |
Most recent IF: 19.791; 2014 IF: 17.493 |
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| |
Call Number |
UA @ lucian @ c:irua:118827 |
Serial |
1053 |
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| Permanent link to this record |
| |
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| |
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Author |
Chen, Y.Z.; Trier, F.; Wijnands, T.; Green, R.J.; Gauquelin, N.; Egoavil, R.; Christensen, D.V.; Koster, G.; Huijben, M.; Bovet, N.; Macke, S.; He, F.; Sutarto, R.; Andersen, N.H.; Sulpizio, J.A.; Honig, M.; Prawiroatmodjo, G.E.D.K.; Jespersen, T.S.; Linderoth, S.; Ilani, S.; Verbeeck, J.; Van Tendeloo, G.; Rijnders, G.; Sawatzky, G.A.; Pryds, N. |
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| |
Title |
Extreme mobility enhancement of two-dimensional electron gases at oxide interfaces by charge-transfer-induced modulation doping |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Nature materials |
Abbreviated Journal |
Nat Mater |
|
| |
Volume |
14 |
Issue |
14 |
Pages |
801-806 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Two-dimensional electron gases (2DEGs) formed at the interface of insulating complex oxides promise the development of all-oxide electronic devices. These 2DEGs involve many-body interactions that give rise to a variety of physical phenomena such as superconductivity, magnetism, tunable metalinsulator transitions and phase separation. Increasing the mobility of the 2DEG, however, remains a major challenge. Here, we show that the electron mobility is enhanced by more than two orders of magnitude by inserting a single-unit-cell insulating layer of polar La1−xSrxMnO3 (x = 0, 1/8, and 1/3) at the interface between disordered LaAlO3 and crystalline SrTiO3 produced at room temperature. Resonant X-ray spectroscopy and transmission electron microscopy show that the manganite layer undergoes unambiguous electronic reconstruction, leading to modulation doping of such atomically engineered complex oxide heterointerfaces. At low temperatures, the modulation-doped 2DEG exhibits Shubnikovde Haas oscillations and fingerprints of the quantum Hall effect, demonstrating unprecedented high mobility and low electron density. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
London |
Editor |
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| |
Language |
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Wos |
000358530100022 |
Publication Date |
2015-06-01 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1476-1122;1476-4660; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
39.737 |
Times cited |
170 |
Open Access |
|
|
| |
Notes |
246102 IFOX; 246791 COUNTATOMS; 278510 VORTEX; Hercules; 312483 ESTEEM2; FWO G004413N; esteem2jra3 ECASJO; |
Approved |
Most recent IF: 39.737; 2015 IF: 36.503 |
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| |
Call Number |
c:irua:127184 c:irua:127184UA @ admin @ c:irua:127184 |
Serial |
1163 |
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| Permanent link to this record |
| |
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| |
|
Author |
Wang, Y.; Sentosun, K.; Li, A.; Coronado-Puchau, M.; Sánchez-Iglesias, A.; Li, S.; Su, X.; Bals, S.; Liz-Marzán, L.M. |
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| |
Title |
Engineering Structural Diversity in Gold Nanocrystals by Ligand-Mediated Interface Control |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
|
| |
Volume |
27 |
Issue |
27 |
Pages |
8032-8040 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Surface and interface control is fundamentally important for crystal growth engineering, catalysis, surface enhanced spectroscopies, and self-assembly, among other processes and applications. Understanding the role of ligands in regulating surface properties of plasmonic metal nanocrystals during growth has received considerable attention. However, the underlying mechanisms and the diverse functionalities of ligands are yet to be fully addressed. In this contribution,
we report a systematic study of ligand-mediated interface control in seeded growth of gold nanocrystals, leading to diverse and exotic nanostructures with an improved surface enhanced Raman scattering (SERS) activity. Three dimensional transmission electron microscopy (3D TEM) revealed an intriguing gold shell growth process mediated by the bifunctional ligand 1,4-benzenedithiol (BDT), which leads to a unique crystal growth mechanism as compared to other ligands, and subsequently to the concept of interfacial energy control mechanism. Volmer-Weber growth mode was proposed to be responsible for BDT-mediated seeded growth, favoring the strongest interfacial energy and generating an asymmetric island growth pathway with internal crevices/gaps. This additionally favors incorporation of BDT at the plasmonic nanogaps, thereby generating strong SERS activity with a maximum efficiency for a core-semishell configuration obtained along seeded growth. Numerical modeling was used to explain this observation. Interestingly, the same strategy can be used to engineer the structural diversity of this system, by using gold nanoparticle seeds with various sizes and shapes, and varying the [Au3+]/[Au0] ratio. This rendered a series of diverse and exotic plasmonic nanohybrids such as semishell-coated gold nanorods, with embedded Raman-active tags and Janus surface with distinct surface functionalities.
These would greatly enrich the plasmonic nanostructure toolbox for various studies and applications such as anisotropic nanocrystal engineering, SERS, and high-resolution Raman bioimaging or nanoantenna devices. |
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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 |
|
Editor |
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| |
Language |
|
Wos |
000366223200023 |
Publication Date |
2015-10-09 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
9.466 |
Times cited |
18 |
Open Access |
OpenAccess |
|
| |
Notes |
The authors thank Bart Goris for his help with electron tomography. This work was funded by the European Commission (Grant #310445-2, SAVVY). The authors acknowledge financial support from European Research Council (ERC Advanced Grant # 267867- PLASMAQUO, ERC Starting Grant #335078-COLOURATOMS). The authors also appreciate financial support from the European Union under the Seventh Framework Program (Integrated Infrastructure Initiative N. 262348 European Soft Matter Infrastructure, ESMI). Wang Y. and Su X. would like to acknowledge the Agency for Science, Technology and Research (A*STAR), Singapore, for the financial support under the Grant JCO 14302FG096. M. C.-P. acknowledges an FPU scholarship from the Spanish Ministry of Education, Culture and Sports.; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 9.466; 2015 IF: 8.354 |
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| |
Call Number |
c:irua:129598 c:irua:129598 |
Serial |
3972 |
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| Permanent link to this record |
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| |
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Author |
Mortet, V.; Zhang, L.; Eckert, M.; D'Haen, J.; Soltani, A.; Moreau, M.; Troadec, D.; Neyts, E.; De Jaeger, J.C.; Verbeeck, J.; Bogaerts, A.; Van Tendeloo, G.; Haenen, K.; Wagner, P. |
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| |
Title |
Grain size tuning of nanocrystalline chemical vapor deposited diamond by continuous electrical bias growth : experimental and theoretical study |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
Physica status solidi : A : applications and materials science |
Abbreviated Journal |
Phys Status Solidi A |
|
| |
Volume |
209 |
Issue |
9 |
Pages |
1675-1682 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In this work, a detailed structural and spectroscopic study of nanocrystalline diamond (NCD) thin films grown by a continuous bias assisted CVD growth technique is reported. This technique allows the tuning of grain size and phase purity in the deposited material. The crystalline properties of the films are characterized by SEM, TEM, EELS, and Raman spectroscopy. A clear improvement of the crystalline structure of the nanograined diamond film is observed for low negative bias voltages, while high bias voltages lead to thin films consisting of diamond grains of only ∼10 nm nanometer in size, showing remarkable similarities with so-called ultrananocrystalline diamond. These layers arecharacterized by an increasing amount of sp2-bonded carbon content of the matrix in which the diamond grains are embedded. Classical molecular dynamics simulations support the observed experimental data, giving insight in the underlying mechanism for the observed increase in deposition rate with bias voltage. Furthermore, a high atomic concentration of hydrogen has been determined in these films. Finally, Raman scattering analyses confirm that the Raman line observed at ∼1150 cm−1 cannot be attributed to trans-poly-acetylene, which continues to be reported in literature, reassigning it to a deformation mode of CHx bonds in NCD. |
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000308942100009 |
Publication Date |
2012-09-04 |
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1862-6300; |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.775 |
Times cited |
31 |
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Notes |
M.E. and E.N. acknowledge financial support from, respectively, the Institute for Promotion of Innovation through Science and Technology in Flanders (IWT), and the Research Foundation-Flanders (FWO). J.V. gratefully acknowledges financial support from the GOA project “XANES meets ELNES” of the research fund of the University of Antwerp. Calculation support was provided by the University of Antwerp through the core facility CALCUA. G.V.T. acknowledges the ERC grant COUNTATOMS. The work was also financially supported by the joint UAUHasseltMethusalem “NANO” network, the Research Programs G.0068.07 and G.0555.10N of the Research Foundation-Flanders (FWO), the IAP-P6/42 project “Quantum Effects in Clusters and Nanowires”, and by the EU FP7 through the Integrated Infrastructure Initiative “ESMI” (No. 262348), the Marie Curie ITN “MATCON” (PITN-GA-2009-238201), and the Collaborative Project “DINAMO” (No. 245122). |
Approved |
Most recent IF: 1.775; 2012 IF: 1.469 |
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Call Number |
UA @ lucian @ c:irua:101516UA @ admin @ c:irua:101516 |
Serial |
1364 |
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Author |
Deo, P.S.; Schweigert, V.A.; Peeters, F.M. |
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Title |
Hysteresis in mesoscopic superconducting disks: the Bean-Livingston barrier |
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A1 Journal article |
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1999 |
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Physical review : B : condensed matter and materials physics |
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Phys Rev B |
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59 |
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6039-6042 |
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A1 Journal article; Condensed Matter Theory (CMT) |
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Lancaster, Pa |
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000079254300016 |
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2002-07-27 |
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0163-1829;1095-3795; |
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UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
59 |
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Most recent IF: 3.836; 1999 IF: NA |
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Call Number |
UA @ lucian @ c:irua:24156 |
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1545 |
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