Arroyo De Dompablo, María Elena

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First Name
María Elena
Last Name
Arroyo De Dompablo
Universidad Complutense de Madrid
Faculty / Institute
Ciencias Químicas
Química Inorgánica
Química Inorgánica
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Now showing 1 - 6 of 6
  • Publication
    Achievements, Challenges, and Prospects of Calcium Batteries
    (American Chemical Society, 2020-10-19) Arroyo De Dompablo, María Elena; Ponrouch, Alexandre; Johansson, Patrik; palacin, M. Rosa
  • Publication
    Enlisting potential cathode materials for rechargeable Ca batteries
    (American Chemical Society, 2021-03-24) Torres, Arturo; Casals, Jose Luis; Arroyo De Dompablo, María Elena
    The development of rechargeable batteries based on a Ca metal anode demands the identification of suitable cathode materials. This work investigates the potential application of a variety of compounds, which are selected from the inorganic crystal structural database, considering 3d-transition metal oxysulfides, pyrophosphates, silicates, nitrides, and phosphates with a maximum of four different chemical elements in their composition. Cathode performances of CaFeSO, CaCoSO, CaNiN, Ca3MnN3, Ca2Fe(Si2O7), CaM(P2O7) (M = V, Cr, Mn, Fe, and Co), CaV2(P2O7)2, Ca(VO)2(PO4)2, and α-VOPO4 are evaluated through the calculation of operation voltages, volume changes associated with the redox reaction, and mobility of Ca2+ ions. Some materials exhibit attractive specific capacities and intercalation voltages combined with energy barriers for Ca migration around 1 eV (CaFeSO, Ca2FeSi2O7, and CaV2(P2O7)2). Based on the Density Functional Theory results, αI-VOPO4 is identified as a potential Ca cathode with a maximum theoretical specific capacity of 312 mAh/g, an average intercalation voltage of 2.8 V, and calculated energy barriers for Ca migration below 0.65 eV.
  • Publication
    High Pressure Effect on Structural and Electrochemical Properties of Anionic Redox- Based Lithium Transition Metal Oxides
    (CellPress, 2021-01-06) Zhang, Minghao; Qiu, Bao; Gallardo-Amores, Jose Manuel; Olguin, Marco; Liu, Haodong; Li, Yixuan; Yin, Chong; Jiang, Sheng; Yao, Weiliang; Arroyo De Dompablo, María Elena; Liu, Zhaoping; Shirley Meng, Ying
  • Publication
    Appraisal of calcium ferrites as cathodes for calcium rechargeable batteries: DFT, synthesis, characterization and electrochemistry of Ca 4 Fe 9 O 17
    (The Royal Society of Chemistry, 2020-01-01) Black, Ashley; Torres, Arturo; Frontera, Carlos; Palacin, M. Rosa; Arroyo De Dompablo, María Elena
  • Publication
    Elucidation of the redox activity of Ca2MnO3. 5 and CaV2O4 in calcium batteries using operando XRD: charge compensation mechanism and reversibility
    (Elsevier, 2022-05-01) Black, Ashley; Frontera, Carlos; Torres, Arturo; Recio-Poo, Miguel; Rozier, Patrick; Forero-Saboya, juan; Faith, Francois; Urones-Garrote, Esteban; Arroyo De Dompablo, María Elena; Palacin, M. Rosa
  • Publication
    Lithium Storage Mechanisms and Effect of Partial Cobalt Substitution in Manganese Carbonate Electrodes
    (American Chemical Society, 2012-05-08) Mirhashemihaghighi, Shadi; León, Bernardo; Pérez Vicente, Carlos; Tirado, José L.; Stoyanova, Radostina; Yoncheva, Meglena; Zhecheva, Ekaterina; Sáez Puche, Regino; Arroyo De Dompablo, María Elena; Romero de Paz, Julio
    A promising group of inorganic salts recently emerged for the negative electrode of advanced lithium-ion batteries. Manganese carbonate combines low weight and significant lithium storage properties. Electron paramagnetic resonance (EPR) and magnetic measurements are used to study the environment of manganese ions during cycling in lithium test cells. To observe reversible lithium storage into manganese carbonate, preparation by a reverse micelles method is used. The resulting nanostructuration favors a capacitive lithium storage mechanism in manganese carbonate with good rate performance. Partial substitution of cobalt by manganese improves cycling efficiency at high rates.