Search Results - Arroyo, M. Elena

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  1. 1
    A Joint Computational and Experimental Evaluation of CaMn2O4 Polymorphs as Cathode Materials for Ca Ion Batteries

    A Joint Computational and Experimental Evaluation of CaMn2O4 Polymorphs as Cathode Materials for Ca Ion Batteries by Dompablo, M. Elena Arroyo-de, Krich, Christopher, Nava-Avendaño, Jessica, Biškup, Neven, Palacín, M. Rosa, Bardé, Fanny

    Published in Chemistry of materials
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  2. 2
    Achievements, Challenges, and Prospects of Calcium Batteries

    Achievements, Challenges, and Prospects of Calcium Batteries by Arroyo-de Dompablo, M. Elena, Ponrouch, Alexandre, Johansson, Patrik, Palacín, M. Rosa

    Published in Chemical reviews
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  3. 3
    Electrochemical Intercalation of Calcium and Magnesium in TiS2: Fundamental Studies Related to Multivalent Battery Applications

    Electrochemical Intercalation of Calcium and Magnesium in TiS2: Fundamental Studies Related to Multivalent Battery Applications by Tchitchekova, Deyana S, Ponrouch, Alexandre, Verrelli, Roberta, Broux, Thibault, Frontera, Carlos, Sorrentino, Andrea, Bardé, Fanny, Biskup, Neven, Arroyo-de Dompablo, M. Elena, Palacín, M. Rosa

    Published in Chemistry of materials
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  4. 4
    Recent Advances in First Principles Computational Research of Cathode Materials for Lithium-Ion Batteries

    Recent Advances in First Principles Computational Research of Cathode Materials for Lithium-Ion Batteries by Meng, Ying Shirley, Arroyo-de Dompablo, M. Elena

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  5. 5
    Ab Initio Investigation of Oxygen Ion Diffusion in the Layered Perovskite System YSr2Cu2FeO7+δ (0 < δ < 1)

    Ab Initio Investigation of Oxygen Ion Diffusion in the Layered Perovskite System YSr2Cu2FeO7+δ (0 < δ < 1) by Gómez-Toledo, Marianela, Arroyo-de Dompablo, Elena M.

    Published in Applied sciences
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  6. 6
    Appraisal of calcium ferrites as cathodes for calcium rechargeable batteries: DFT, synthesis, characterization and electrochemistry of Ca4Fe9O17

    Appraisal of calcium ferrites as cathodes for calcium rechargeable batteries: DFT, synthesis, characterization and electrochemistry of Ca4Fe9O17 by Black, Ashley P, Torres, Arturo, Frontera, Carlos, M Rosa Palacín, Arroyo-de Dompablo, M Elena

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  7. 7
    Metal-to-Insulating Transition in the Perovskite System YSr2Cu2FeO8−δ (0 < δ < 1) Modeled by DFT Methods

    Metal-to-Insulating Transition in the Perovskite System YSr2Cu2FeO8−δ (0 < δ < 1) Modeled by DFT Methods by Gómez-Toledo, Marianela, López-Paz, Sara A., García-Martín, Susana, Arroyo-de Dompablo, M. Elena

    Published in Inorganic chemistry
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  8. 8
    Lithium Storage Mechanisms and Effect of Partial Cobalt Substitution in Manganese Carbonate Electrodes

    Lithium Storage Mechanisms and Effect of Partial Cobalt Substitution in Manganese Carbonate Electrodes by Mirhashemihaghighi, Shadi, León, Bernardo, Pérez Vicente, Carlos, Tirado, José L, Stoyanova, Radostina, Yoncheva, Meglena, Zhecheva, Ekaterina, Sáez Puche, Regino, Arroyo, Elena M, Romero de Paz, Julio

    Published in Inorganic chemistry
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  9. 9
    β‑V2O5 as Magnesium Intercalation Cathode

    β‑V2O5 as Magnesium Intercalation Cathode by Trócoli, Rafael, Parajuli, Prakash, Frontera, Carlos, Black, Ashley P., Alexander, Grant C. B., Roy, Indrani, Arroyo-de Dompablo, M. Elena, Klie, Robert F., Cabana, Jordi, Palacín, M. Rosa

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  10. 10
    First principles computational materials design for energy storage materials in lithium ion batteries

    First principles computational materials design for energy storage materials in lithium ion batteries by Meng, Ying Shirley, Arroyo-de Dompablo, MElena

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  11. 11
    Study of sodium manganese fluorides as positive electrodes for Na-ion batteries

    Study of sodium manganese fluorides as positive electrodes for Na-ion batteries by Nava-Avendaño, Jessica, Arroyo-de Dompablo, M. Elena, Frontera, Carlos, Ayllón, José A., Palacín, M. Rosa

    Published in Solid state ionics
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  12. 12
    The SCAN+ U method in the investigation of complex transition metal oxides: a case study on YSr 2 Cu 2 FeO 7+ δ ( δ = 0, 1)

    The SCAN+ U method in the investigation of complex transition metal oxides: a case study on YSr 2 Cu 2 FeO 7+ δ ( δ = 0, 1) by Gómez-Toledo, Marianela, Arroyo-de Dompablo, Elena M

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  13. 13
    Enlisting Potential Cathode Materials for Rechargeable Ca Batteries

    Enlisting Potential Cathode Materials for Rechargeable Ca Batteries by Torres, Arturo, Casals, José Luis, Arroyo-de Dompablo, M. Elena

    Published in Chemistry of materials
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  14. 14
    First Principles Study on the Features of CaxSr2−xTa2O7 (x = 0, 1) as a Photocatalytic Material

    First Principles Study on the Features of CaxSr2−xTa2O7 (x = 0, 1) as a Photocatalytic Material by Marianela Gómez-Toledo, Khalid Boulahya, M. Elena Arroyo-de Dompablo

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  15. 15
    Computational Investigation of Li Insertion in Li3VO4

    Computational Investigation of Li Insertion in Li3VO4 by Arroyo-de Dompablo, M. Elena, Tartaj, Pedro, Amarilla, J. Manuel, Amador, Ulises

    Published in Chemistry of materials
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  16. 16
    Rationalization of Intercalation Potential and Redox Mechanism for A2Ti3O7 (A = Li, Na)

    Rationalization of Intercalation Potential and Redox Mechanism for A2Ti3O7 (A = Li, Na) by Rousse, Gwenaelle, Arroyo-de Dompablo, M. Elena, Senguttuvan, Premkumar, Ponrouch, Alexandre, Tarascon, Jean-Marie, Palacín, M. Rosa

    Published in Chemistry of materials
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  17. 17
    Metal-to-Insulating Transition in the Perovskite System YSr 2 Cu 2 FeO 8-δ (0 < δ < 1) Modeled by DFT Methods

    Metal-to-Insulating Transition in the Perovskite System YSr 2 Cu 2 FeO 8-δ (0 < δ < 1) Modeled by DFT Methods by Gómez-Toledo, Marianela, López-Paz, Sara A, García-Martín, Susana, Arroyo-de Dompablo, M Elena

    Published in Inorganic chemistry
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  18. 18
    A Multidimensional Classification Approach for the Automated Analysis of Flow Cytometry Data

    A Multidimensional Classification Approach for the Automated Analysis of Flow Cytometry Data by Pedreira, Carlos Eduardo, Costa, Elaine S., Arroyo, M. Elena, Almeida, Julia, Orfao, Alberto

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  19. 19
    Appraisal of calcium ferrites as cathodes for calcium rechargeable batteries: DFT, synthesis, characterization and electrochemistry of Ca 4 Fe 9 O 17

    Appraisal of calcium ferrites as cathodes for calcium rechargeable batteries: DFT, synthesis, characterization and electrochemistry of Ca 4 Fe 9 O 17 by Black, Ashley P, Torres, Arturo, Frontera, Carlos, Palacín, M Rosa, Arroyo-de Dompablo, M Elena

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  20. 20
    Synthesis and Electrochemical Properties of Layered Li0.9Ni0.45Ti0.55O2

    Synthesis and Electrochemical Properties of Layered Li0.9Ni0.45Ti0.55O2 by Kang, Kisuk, Carlier, Dany, Reed, John, Arroyo, Elena M, Ceder, Gerbrand, Croguennec, L, Delmas, C

    Published in Chemistry of materials
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