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Anisotropy of the Electric Field Gradient in Two-Dimensional α-MoO$_3$ Investigated by $^{57}$Mn($^{57}$Fe) Emission Mössbauer Spectroscopy
/ Schell, Juliana (CERN ; Duisburg-Essen U.) ; Zyabkin, Dmitry (Ilmenau Tech. U.) ; Bharuth-Ram, Krish (KwaZulu Natal U.) ; Gonçalves, João N (Aveiro U.) ; Díaz-Guerra, Carlos (Madrid U.) ; Gunnlaugsson, Haraldur P (Iceland U.) ; Martín-Luengo, Aitana Tarazaga (Linz U.) ; Schaaf, Peter (Ilmenau Tech. U.) ; Bonanni, Alberta (Linz U.) ; Masenda, Hilary (Witwatersrand U. ; Philipps U. Marburg) et al.
Van der Waals α-MoO3 samples offer a wide range of attractive catalytic, electronic, and optical properties. We present herein an emission Mössbauer spectroscopy (eMS) study of the electric-field gradient (EFG) anisotropy in crystalline free-standing α-MoO3 samples. [...]
2022 - 13 p.
- Published in : Crystals 12 (2022) 942
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Hg adatoms on graphene: A first-principles study
/ Fenta, A S (CERN) ; Amorim, C O (Aveiro U.) ; Gonçalves, J N (Aveiro U.) ; Fortunato, N (Aveiro U.) ; Barbosa, M B (Porto U.) ; Araujo, J P (Leuven U.) ; Houssa, M (U. Gent (main)) ; Cottenier, S (U. Gent (main)) ; Van Bael, M J (Leuven U.) ; Correia, J G (CERN) et al.
The interest in understanding the interaction between graphene and atoms that are adsorbed on its
surface (adatoms) spans a wide range of research fields and applications, for example, to
controllably change the properties of graphene in electronic devices or to detect those changes in
graphene-based sensors. We present a density functional theory study of the interaction between
graphene and Hg adatoms. [...]
2020 - 10 p.
- Published in : J. Phys. Mater. 4 (2020) 015002
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Strong magnetoelectric coupling at an atomic nonmagnetic electromagnetic probe in bismuth ferrite
/ Schell, Juliana (CERN ; Duisburg-Essen U.) ; Schmuck, Merlin (Duisburg-Essen U.) ; Efe, İpek (Zurich, ETH) ; Dang, Thien Thanh (Duisburg-Essen U.) ; Gonçalves, João Nuno (Aveiro U.) ; Lewin, Daniil (Duisburg-Essen U.) ; Castillo, Marianela Escobar (Duisburg-Essen U.) ; Shvartsman, Vladimir V (Duisburg-Essen U.) ; Costa, Ângelo Rafael Granadeiro (CERN ; Lisbon, IST) ; Köster, Ulli (Laue-Langevin Inst.) et al.
Isolated nonmagnetic substitutional defect ions experience huge coupled electric magnetic interaction in the single-phase multiferroic BiFeO$_{3}$. In the ferroelectric state above the magnetic Néel temperature $T$$_{N}$, the electric environment generates a single symmetric electric field gradient (EFG) parallel to the electric polarization direction. [...]
2022 - 13 p.
- Published in : Phys. Rev. B 105 (2022) 094102
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The electric field gradient as a signature of the binding and the local structure of adatoms on graphene
/ Fenta, A S (Leuven U. ; Aveiro U. ; CERN) ; Amorim, C O (Aveiro U.) ; Gonçalves, J N (Aveiro U.) ; Fortunato, N (Aveiro U.) ; Barbosa, M B (Porto U. ; Singapore Natl. U.) ; Cottenier, S (Gent U.) ; Correia, J G (CERN ; Lisbon, IST) ; Pereira, L M C (Leuven U.) ; Amaral, V S (Aveiro U.)
We examined the interaction between adatoms and graphene for Ag, Cd, In and Hg by density functional theory. We establish a relation between the binding energy and the electric-field gradient tensor (EFG) for each atom, which indicates that hyperfine interactions can be used to probe the binding and stability of adatoms on graphene. [...]
2021
- Published in : Appl. Phys. A 127 (2021) 573
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5.
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Experimental and Theoretical Study of Electronic and Hyperfine Properties of Hydrogenated Anatase (TiO2): Defect Interplay and Thermal Stability
/ Zyabkin, D V (Palacky U. ; Ilmenau Tech. U.) ; Gunnlaugsson, H P (Iceland U.) ; Gonçalves, J N (Aveiro U.) ; Bharuth-Ram, K (KwaZulu Natal U. ; DUT, Durban) ; Qi, B (Iceland U.) ; Unzueta, I (Basque U., Bilbao) ; Naidoo, D (Witwatersrand U.) ; Mantovan, R (CNR-IMM, Catania) ; Masenda, H (Witwatersrand U.) ; Ólafsson, S (Iceland U.) et al.
The performance of TiO$_2$-based materials is highly dependent on the electronic structure and local defect configurations. Hence, a thorough understanding of defect interaction plays a key role. [...]
2020 - 12 p.
- Published in : The Journal of Physical Chemistry C 124 (2020) 7511-7522
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Multiferroic bismuth ferrite: Perturbed angular correlation studies on its ferroic $\alpha$-$\beta$ phase transition
/ Marschick, G (Vienna, Tech. U. ; CERN) ; Schell, J (CERN ; U. Duisburg-Essen) ; Stöger, B (Vienna, Tech. U.) ; Gonçalves, J N (Aveiro U.) ; Karabasov, M O (U. Duisburg-Essen) ; Zyabkin, D (Ilmenau Tech. U.) ; Welker, A (CERN) ; Escobar C , M (U. Duisburg-Essen) ; Gärtner, D (Munster U.) ; Efe, I (Zurich, ETH) et al.
Work of numerous research groups has shown different outcomes of studies of the transition from the ferroelectric $\alpha$-phase to the high temperature $\beta$-phase of the multiferroic, magnetoelectric perovskite Bismuth Ferrite (BiFeO$_{3}$ or BFO). Using the perturbed angular correlation (PAC) method with $^{111m}$Cd as the probe nucleus, the $\alpha$ to $\beta$ phase transition was characterized. [...]
2020 - 11 p.
- Published in : Phys. Rev. B 102 (2020) 224110
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Ultra sensitive quantification of Hg$^{2+}$ sorption by functionalized nanoparticles using radioactive tracker spectroscopy
/ Amorim, Carlos O (Aveiro U. ; U. Aveiro (main)) ; Gonçalves, João N (Aveiro U.) ; Tavares, Daniela S (U. Aveiro (main)) ; Fenta, Abel S (Aveiro U. ; CERN ; Leuven U.) ; Lopes, Cláudia B (U. Aveiro (main) ; CIIMAR, Porto) ; Pereira, Eduarda (U. Aveiro (main)) ; Trindade, Tito (U. Aveiro (main)) ; Correia, João G (CERN ; IST, Lisbon (main)) ; Amaral, Vítor S (Aveiro U.)
/Isolde
We present an ultra sensitive method to quantify the uptake of Hg by dithiocarbamate functionalized magnetic nanoparticles using radioactive tracker spectroscopy. We show a lower limit of detection of about 10 fg L-1, much lower than any other known techniques used to determine the uptake of Hg (about 104 more sensitive), without the need of digesting or processing the sorption agent. [...]
2018 - 6 p.
- Published in : Microchem. J. 138 (2018) 418-423
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Local Probing Of Ferroic And Multiferroic Compounds
/ Lopes, A M L (IFIMUP-IN, Fac. Ciências, Univ. Porto, P-4150 Porto, Portugal) ; Schell, Juliana (Institute for Materials Science and Center for Nanointegration, Duisburg-Essen (CENIDE), University of Duisburg-Essen) ; Amaral, V S (Dep. Physics and CICECO, Univ. Aveiro, P-3810-193 Aveiro, Portugal) ; Amorim, C O (Dep. Physics and CICECO, Univ. Aveiro, P-3810-193 Aveiro, Portugal) ; Araújo, J P (IFIMUP, Fac. Ciências, Univ. Porto, P-4150 Porto, Portugal) ; Baghizadeh, A (Dep. Mat & Cer. Eng. and CICECO, Univ. Aveiro, P-3810-193 Aveiro, Portugal) ; Baptista, M (IFIMUP, Fac. Ciências, Univ. Porto, P-4150 Porto, Portugal) ; Becker, Hans-Werner (Ruhr-Universität Bochum, RUBION, Universitätsstr. 150, D-44801 Bochum) ; Correia, J G (C2TN, Centro de Ciências e Tecnologias Nucleares, Instituto Superior Técnico, Universidade de Lisboa, Portugal) ; Escobar Castillo, M (Institute for Materials Science and Center for Nanointegration, Duisburg-Essen (CENIDE), University of Duisburg-Essen, 45141 Essen, Germany) et al.
CERN-INTC-2017-074 ; INTC-CLL-034.
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2017.
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10.
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Local Probing of Ferroic and Multiferroic Compounds
/ Amaral, V S (Dep. Physics and CICECO, Univ. Aveiro, P-3810-193 Aveiro, Portugal) ; Amorim, C O (Dep. Physics and CICECO, Univ. Aveiro, P-3810-193 Aveiro, Portugal) ; Araujo, J P (IFIMUP, Fac. Ciências, Univ. Porto, P-4150 Porto, Portugal) ; Baghizadeh, A (Dep. Mat & Cer. Eng. and CICECO, Univ. Aveiro, P-3810-193 Aveiro, Portugal) ; Baptista, M (IFIMUP, Fac. Ciências, Univ. Porto, P-4150 Porto, Portugal) ; Becker, Hans-Werner (Ruhr-Universität Bochum, RUBION, Universitätsstr. 150, D-44801 Bochum) ; Correia, J G (C2TN, Centro de Ciências e Tecnologias Nucleares, Instituto Superior Técnico, Universidade de Lisboa, Portugal) ; Escobar Castillo, M (Institute for Materials Science and Center for Nanointegration, Duisburg-Essen (CENIDE), University of Duisburg-Essen, 45141 Essen, Germany) ; Fenta, A (Dep. Physics and CICECO, Univ. Aveiro, P-3810-193 Aveiro, Portugal) ; Gonçalves, J N (Dep. Physics and CICECO, Univ. Aveiro, P-3810-193 Aveiro, Portugal) et al.
CERN-INTC-2017-020 ; INTC-P-502.
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2017.
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