Publications (29) AMAIA SARACIBAR RUIZ DE OCENDA publications

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2025

  1. ADEL: an automated drop-cast electrode setup for high-throughput screening of battery materials

    Digital Discovery, Vol. 4, Núm. 4, pp. 943-953

  2. ADEL: an automated drop-cast electrode setup for high-throughput screening of battery materials

    Digital Discovery

2024

  1. Elucidating the Electrochemical Properties of LiFe0.5Mn1.5O4 as a High-Voltage, Low-Cost Material

    Journal of Physical Chemistry C, Vol. 128, Núm. 27, pp. 11101-11111

  2. Probing Phase Formation and Structural Transformations in Sodium Extraction and Insertion of NaFe1-yMnyPO4 through First-Principles Calculations

    Inorganic Chemistry, Vol. 63, Núm. 43, pp. 20541-20550

2021

  1. Impact of stacking faults and Li substitution in LixMnO3 (0 ≤ x ≤ 2) structural transformations upon delithiation

    Journal of Physical Chemistry Letters, Vol. 12, pp. 7474-7481

2019

  1. DFT-Assisted Solid-State NMR Characterization of Defects in Li2MnO3

    Inorganic Chemistry, Vol. 58, Núm. 13, pp. 8347-8356

2018

  1. Cross-curricular skills development in final-year dissertation by active and collaborative methodologies

    Interactive Learning Environments, Vol. 26, Núm. 2, pp. 175-188

  2. Enhanced electrochemical performance of Li-rich cathode materials through microstructural control

    Physical Chemistry Chemical Physics, Vol. 20, Núm. 35, pp. 23112-23122

2016

  1. Investigation of sodium insertion-extraction in olivine Na: XFePO4 (0 ≤ x ≤ 1) using first-principles calculations

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 18, pp. 13045-13051

2015

  1. New insights into the electrochemical performance of Li<inf>2</inf>MnSiO<inf>4</inf>: Effect of cationic substitutions

    Journal of Materials Chemistry A, Vol. 3, Núm. 11, pp. 6004-6011

2014

  1. PRELIMINARY RESULTS OF THE APPLICATION OF ACTIVE-LEARNING AND COLLABORATIVE METHODOLOGIES IN THE DEVELOPMENT OF CROSS-CURRICULAR SKILLS DURING THE FINAL YEAR DISSERTATION

    EDULEARN14: 6TH INTERNATIONAL CONFERENCE ON EDUCATION AND NEW LEARNING TECHNOLOGIES

2013

  1. PROPOSAL OF A METHODOLOGY BASED ON ACTIVE-LEARNING AND COLLABORATIVE STRATEGIES TO DEVELOP CROSS-CURRICULAR SKILLS DURING FINAL YEAR DISSERTATION

    6TH INTERNATIONAL CONFERENCE OF EDUCATION, RESEARCH AND INNOVATION (ICERI 2013)

2012

  1. Crystal structure, energetics, and electrochemistry of Li 2FeSiO4 polymorphs from first principles calculations

    Chemistry of Materials, Vol. 24, Núm. 3, pp. 495-503

2011

  1. An extension of the molecular simulator GEMS to calculate the signal of crossed beam experiments

    Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)

  2. Capture and dissociation in the complex-forming CH(v = 0,1) + D2→ CHD + D, CD2 + H, CD + HD reactions and comparison with CH(v = 0,1) + H2

    Physical Chemistry Chemical Physics, Vol. 13, Núm. 30, pp. 13638-13644

  3. Capture and dissociation in the complex-forming CH+H2→ CH2+H, CH+H2 reactions

    Physical Chemistry Chemical Physics, Vol. 13, Núm. 8, pp. 3421-3428

  4. On the anomaly of the quasiclassical product distributions of the OH + CO → H + CO2 reaction

    Theoretical Chemistry Accounts, Vol. 128, Núm. 4, pp. 727-734

2009

  1. A comparison of the quantum state-specific efficiency of N + N2 reaction computed on different potential energy surfaces

    Physical Chemistry Chemical Physics, Vol. 11, Núm. 11, pp. 1752-1757

  2. A detailed comparison of centrifugal sudden and J-shift estimates of the reactive properties of the N + N2 reaction

    Physical Chemistry Chemical Physics, Vol. 11, Núm. 48, pp. 11456-11462

  3. Effect of the total angular momentum on the dynamics of the H 2+H2 system

    Journal of Physical Chemistry A, Vol. 113, Núm. 52, pp. 14312-14320