Zobrazeno 1 - 10
of 44
pro vyhledávání: '"Matthieu Saubanère"'
Publikováno v:
Batteries, Vol 10, Iss 8, p 262 (2024)
Mechanical degradation in electrode materials during successive electrochemical cycling is critical for battery lifetime and aging properties. A common strategy to mitigate electrode mechanical degradation is to suppress the volume variation induced
Externí odkaz:
https://doaj.org/article/82e8a03941194eee9c67999a9228d3a1
Autor:
Quentin Marécat, Matthieu Saubanère
Publikováno v:
Computation, Vol 11, Iss 10, p 203 (2023)
The performance of embedding methods is directly tied to the quality of the bath orbital construction. In this paper, we develop a versatile framework, enabling the investigation of the optimal construction of the orbitals of the bath. As of today, i
Externí odkaz:
https://doaj.org/article/8bec27f5a1d94b9c9ad8ca59c792d558
Publikováno v:
Computation, Vol 10, Iss 3, p 45 (2022)
Quantum embedding is a divide and conquer strategy that aims at solving the electronic Schrödinger equation of sizeable molecules or extended systems. We establish in the present work a clearer and in-principle-exact connection between density matri
Externí odkaz:
https://doaj.org/article/d0dcd403f8df41749ecdfb20d5dc563f
We derive recursive relations for the Schrieffer--Wolff (SW) transformation applied to the half-filled Hubbard dimer. While the standard SW transformation is set to block-diagonalize the transformed Hamiltonian solely at the first order of perturbati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ef3ab84c8e3560ed82ba4fe50e5648b9
Publikováno v:
Physical Review B
Physical Review B, American Physical Society, 2021, 104 (3), pp.035121. ⟨10.1103/PhysRevB.104.035121⟩
Physical Review B, American Physical Society, 2021, 104 (3), ⟨10.1103/PhysRevB.104.035121⟩
Physical Review B, American Physical Society, 2021, 104 (3), pp.035121. ⟨10.1103/PhysRevB.104.035121⟩
Physical Review B, American Physical Society, 2021, 104 (3), ⟨10.1103/PhysRevB.104.035121⟩
Quantum embedding based on the (one-electron reduced) density matrix is revisited by means of the unitary Householder transformation. While being exact and equivalent to (but formally simpler than) density matrix embedding theory (DMET) in the non-in
Autor:
Emmanuelle Suard, Paula Sanz-Camacho, Yohan Biecher, Matthieu Saubanère, Coélio Vallée, Gwenaëlle Rousse, Bernard Fraisse, Dany Carlier, Romain Berthelot
Publikováno v:
Inorganic Chemistry
Inorganic Chemistry, American Chemical Society, 2019, 58 (17), pp.11546-11552. ⟨10.1021/acs.inorgchem.9b01385⟩
Inorganic Chemistry, 2019, 58 (17), pp.11546-11552. ⟨10.1021/acs.inorgchem.9b01385⟩
Inorganic Chemistry, American Chemical Society, 2019, 58 (17), pp.11546-11552. ⟨10.1021/acs.inorgchem.9b01385⟩
Inorganic Chemistry, 2019, 58 (17), pp.11546-11552. ⟨10.1021/acs.inorgchem.9b01385⟩
International audience; Layered oxide compositions Li3–xNaxNi2SbO6 have been prepared by solid-state synthesis. A complete solid solution is evidenced and characterized by X-ray and neutron diffraction as well as 7Li and 23Na solid-state nuclear ma
Autor:
Antonella Iadecola, Matthieu Saubanère, Marie-Liesse Doublet, Jean-Marie Tarascon, Jordi Cabana, Haifeng Li, Quentin Jacquet, Gwenaëlle Rousse, Erik J. Berg
Publikováno v:
Journal of the American Chemical Society
Journal of the American Chemical Society, American Chemical Society, 2019, 141 (29), pp.11452-11464. ⟨10.1021/jacs.8b11413⟩
Journal of the American Chemical Society, 2019, 141 (29), pp.11452-11464. ⟨10.1021/jacs.8b11413⟩
Journal of the American Chemical Society, American Chemical Society, 2019, 141 (29), pp.11452-11464. ⟨10.1021/jacs.8b11413⟩
Journal of the American Chemical Society, 2019, 141 (29), pp.11452-11464. ⟨10.1021/jacs.8b11413⟩
Disordered rock salt cathodes showing both anionic and cationic redox are being extensively studied for their very high energy storage capacity. Mn-based disordered rock salt compounds show much higher energy efficiency compared to the Ni-based mater
Publikováno v:
Chemistry of Materials
Chemistry of Materials, American Chemical Society, 2021, 33 (2), pp.600-607. ⟨10.1021/acs.chemmater.0c03775⟩
Chemistry of Materials, American Chemical Society, 2021, 33 (2), pp.600-607. ⟨10.1021/acs.chemmater.0c03775⟩
International audience; High-purity polycrystalline Na0.5La0.5RuO3 was synthesized by a solid-state method, and its properties were studied by magnetic susceptibility, heat capacity, and resistivity measurements. We find it to be an orthorhombic pero
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d41b976c0ee3c5b74449357462c9fde7
https://hal.archives-ouvertes.fr/hal-03128414/document
https://hal.archives-ouvertes.fr/hal-03128414/document
Publikováno v:
Joule
Joule, Cell Press, 2020, 4 (2), pp.420-434. ⟨10.1016/j.joule.2019.12.003⟩
Joule, 2020, 4 (2), pp.420-434. ⟨10.1016/j.joule.2019.12.003⟩
Joule, Elsevier 2020, 4 (2), pp.420-434. ⟨10.1016/j.joule.2019.12.003⟩
Joule, Cell Press, 2020, 4 (2), pp.420-434. ⟨10.1016/j.joule.2019.12.003⟩
Joule, 2020, 4 (2), pp.420-434. ⟨10.1016/j.joule.2019.12.003⟩
Joule, Elsevier 2020, 4 (2), pp.420-434. ⟨10.1016/j.joule.2019.12.003⟩
International audience; The need to store an ever increasing amount of renewable energy in a sustainable way has rekindled interest for Na-ion batteries owing to the abundance of Na. Their energy density, lower than Li-Ion, can be enhanced by unlocki
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::87c2957ed7ae93081e3b69b8fc69bfce
https://hal.archives-ouvertes.fr/hal-02487790
https://hal.archives-ouvertes.fr/hal-02487790
Autor:
Damien Dambournet, Wei Li, Peter J. Chupas, Karena W. Chapman, Matthieu Saubanère, Marie-Liesse Doublet, Delphine Flahaut, Olaf J. Borkiewicz
Publikováno v:
Journal of Physical Chemistry C
Journal of Physical Chemistry C, 2018, 122 (42), pp.23861-23866. ⟨10.1021/acs.jpcc.8b06573⟩
Journal of Physical Chemistry C, American Chemical Society, 2018, 122 (42), pp.23861-23866. ⟨10.1021/acs.jpcc.8b06573⟩
Journal of Physical Chemistry C, 2018, 122 (42), pp.23861-23866. ⟨10.1021/acs.jpcc.8b06573⟩
Journal of Physical Chemistry C, American Chemical Society, 2018, 122 (42), pp.23861-23866. ⟨10.1021/acs.jpcc.8b06573⟩
International audience; Conversion reactions, offering high capacity in batteries, imply a restructuration of the pristine atomic structure down to the nanoscale. The associated large broadening in the Bragg peaks of the restructured electrode render