| 1. |
- Duan, Shanghong, 1992, et al.
(författare)
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Three-dimensional reconstruction and computational analysis of a structural battery composite electrolyte
- 2023
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Ingår i: COMMUNICATIONS MATERIALS. - : Springer Nature. - 2662-4443. ; 4:1
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Tidskriftsartikel (refereegranskat)abstract
- Structural batteries are multifunctional composite materials that can carry mechanical load and store electrical energy. Their multifunctionality requires an ionically conductive and stiff electrolyte matrix material. For this purpose, a bi-continuous polymer electrolyte is used where a porous solid phase holds the structural integrity of the system, and a liquid phase, which occupies the pores, conducts lithium ions. To assess the porous structure, three-dimensional topology information is needed. Here we study the three-dimensional structure of the porous battery electrolyte material using combined focused ion beam and scanning electron microscopy and transfer into finite element models. Numerical analyses provide predictions of elastic modulus and ionic conductivity of the bi-continuous electrolyte material. Characterization of the three-dimensional structure also provides information on the diameter and volume distributions of the polymer and pores, as well as geodesic tortuosity. Structural battery composites contain a porous solid phase that holds the structural integrity of the system with a liquid phase in the pores. Here, the porous structure is studied using combined focused ion beam and scanning electron microscopy and transferred into finite element models.
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| 2. |
- Nocerino, E., et al.
(författare)
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Competition between magnetic interactions and structural instabilities leading to itinerant frustration in the triangular lattice antiferromagnet LiCrSe 2
- 2023
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Ingår i: Communications Materials. - 2662-4443. ; 4:1
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Tidskriftsartikel (refereegranskat)abstract
- LiCrSe2 constitutes a recent valuable addition to the ensemble of two-dimensional triangular lattice antiferromagnets. In this work, we present a comprehensive study of the low temperature nuclear and magnetic structure established in this material. Being subject to a strong magnetoelastic coupling, LiCrSe2 was found to undergo a first order structural transition from a trigonal crystal system (P3 ¯ m1) to a monoclinic one (C2/m) at T s = 30 K. Such restructuring of the lattice is accompanied by a magnetic transition at T N = 30 K. Refinement of the magnetic structure with neutron diffraction data and complementary muon spin rotation analysis reveal the presence of a complex incommensurate magnetic structure with a up-up-down-down arrangement of the chromium moments with ferromagnetic double chains coupled antiferromagnetically. The spin axial vector is also modulated both in direction and modulus, resulting in a spin density wave-like order with periodic suppression of the chromium moment along the chains. This behavior is believed to appear as a result of strong competition between direct exchange antiferromagnetic and superexchange ferromagnetic couplings established between both nearest neighbor and next nearest neighbor Cr3+ ions. We finally conjecture that the resulting magnetic order is stabilized via subtle vacancy/charge order within the lithium layers, potentially causing a mix of two co-existing magnetic phases within the sample.
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| 3. |
- Nocerino, Elisabetta, et al.
(författare)
-
Competition between magnetic interactions and structural instabilities leading to itinerant frustration in the triangular lattice antiferromagnet LiCrSe2
- 2023
-
Ingår i: Communications Materials. - : Springer Nature. - 2662-4443. ; 4:1
-
Tidskriftsartikel (refereegranskat)abstract
- LiCrSe2 constitutes a recent valuable addition to the ensemble of two-dimensional triangular lattice antiferromagnets. In this work, we present a comprehensive study of the low temperature nuclear and magnetic structure established in this material. Being subject to a strong magnetoelastic coupling, LiCrSe2 was found to undergo a first order structural transition from a trigonal crystal system (P3 ¯ m1) to a monoclinic one (C2/m) at T s = 30 K. Such restructuring of the lattice is accompanied by a magnetic transition at T N = 30 K. Refinement of the magnetic structure with neutron diffraction data and complementary muon spin rotation analysis reveal the presence of a complex incommensurate magnetic structure with a up-up-down-down arrangement of the chromium moments with ferromagnetic double chains coupled antiferromagnetically. The spin axial vector is also modulated both in direction and modulus, resulting in a spin density wave-like order with periodic suppression of the chromium moment along the chains. This behavior is believed to appear as a result of strong competition between direct exchange antiferromagnetic and superexchange ferromagnetic couplings established between both nearest neighbor and next nearest neighbor Cr3+ ions. We finally conjecture that the resulting magnetic order is stabilized via subtle vacancy/charge order within the lithium layers, potentially causing a mix of two co-existing magnetic phases within the sample.
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| 4. |
- Nocerino, Elisabetta, et al.
(författare)
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Multiple unconventional charge density wave transitions in LaPt2Si2 superconductor clarified with high-energy X-ray diffraction
- 2023
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Ingår i: Communications Materials. - : Springer Nature. - 2662-4443. ; 4:1
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Tidskriftsartikel (refereegranskat)abstract
- The quasi-2D platinum-based rare earth intermetallic LaPt2Si2 has attracted attention as it exhibits strong interplay between charge density wave order and superconductivity. However, most of the results reported on this material come from theoretical calculations, preliminary bulk investigations and powder samples, which makes it difficult to uniquely determine the temperature evolution of its crystal structure and, consequently, of its charge density wave transition. Therefore, the published literature around LaPt2Si2 is often controversial. Here, by means of high-resolution synchrotron X-ray diffraction data, we clarify some of the poorly or partially understood aspects of the physics of LaPt2Si2. In particular, we resolve the complex evolution of its crystal structure and superstructures, identifying the temperature dependence of multiple density wave transitions in good quality LaPt2Si2 single crystals. According to our findings, on cooling from room temperature LaPt2Si2 undergoes a series of subtle structural transitions which can be summarised as follows: second order commensurate tetragonal (P4/n m m)-to-incommensurate structure followed by a first order incommensurate-to-commensurate orthorhombic (P m m n) transition and then a first order commensurate orthorhombic (P m m n)-to-commensurate tetragonal (P4/n m m). The structural transitions are accompanied by both incommensurate and commensurate superstructural distortions of the lattice. The observed behavior is compatible with discommensuration of the CDW in this material.
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