Saracibar A - Search Results

1

Probing Phase Formation and Structural Transformations in Sodium Extraction and Insertion of NaFe_1-yMn_yPO₄ through First-Principles Calculations.

Ismail M, Lakuntza O, Carrasco J, Saurel D, Casas-Cabanas M, Reynaud M, Saracibar A. Ismail M, et al. Among authors: saracibar a. Inorg Chem. 2024 Oct 28;63(43):20541-20550. doi: 10.1021/acs.inorgchem.4c03148. Epub 2024 Oct 18. Inorg Chem. 2024. PMID: 39422350 Free PMC article.

2

Impact of Stacking Faults and Li Substitution in Li_xMnO₃ (0 ≤ x ≤ 2) Structural Transformations upon Delithiation.

Serrano-Sevillano J, Casas-Cabanas M, Saracibar A. Serrano-Sevillano J, et al. Among authors: saracibar a. J Phys Chem Lett. 2021 Aug 12;12(31):7474-7481. doi: 10.1021/acs.jpclett.1c02083. Epub 2021 Aug 2. J Phys Chem Lett. 2021. PMID: 34339195

3

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

Serrano-Sevillano J, Carlier D, Saracibar A, Lopez Del Amo JM, Casas-Cabanas M. Serrano-Sevillano J, et al. Among authors: saracibar a. Inorg Chem. 2019 Jul 1;58(13):8347-8356. doi: 10.1021/acs.inorgchem.9b00394. Epub 2019 Jun 14. Inorg Chem. 2019. PMID: 31199135

4

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

Serrano-Sevillano J , Reynaud M , Saracibar A , Altantzis T , Bals S , van Tendeloo G , Casas-Cabanas M . Serrano-Sevillano J , et al. Among authors: saracibar a. Phys Chem Chem Phys. 2018 Sep 12;20(35):23112-23122. doi: 10.1039/c8cp04181d. Phys Chem Chem Phys. 2018. PMID: 30168545

5

Investigation of sodium insertion-extraction in olivine NaxFePO4 (0 ≤x≤ 1) using first-principles calculations.

Saracibar A, Carrasco J, Saurel D, Galceran M, Acebedo B, Anne H, Lepoitevin M, Rojo T, Casas Cabanas M. Saracibar A, et al. Phys Chem Chem Phys. 2016 May 14;18(18):13045-51. doi: 10.1039/c6cp00762g. Epub 2016 Apr 25. Phys Chem Chem Phys. 2016. PMID: 27110665

6

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.

González M, Mayneris-Perxachs J, Saracibar A, Garcia E. González M, et al. Among authors: saracibar a. Phys Chem Chem Phys. 2011 Aug 14;13(30):13638-44. doi: 10.1039/c0cp02483j. Epub 2011 Jun 23. Phys Chem Chem Phys. 2011. PMID: 21698329

7

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

González M, Saracibar A, Garcia E. González M, et al. Among authors: saracibar a. Phys Chem Chem Phys. 2011 Feb 28;13(8):3421-8. doi: 10.1039/c0cp01188f. Epub 2011 Jan 6. Phys Chem Chem Phys. 2011. PMID: 21212873

8

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

Garcia E, Saracibar A, Sánchez C, Laganà A. Garcia E, et al. Among authors: saracibar a. J Phys Chem A. 2009 Dec 31;113(52):14312-20. doi: 10.1021/jp903072j. J Phys Chem A. 2009. PMID: 20028158

9

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

Garcia E, Sánchez C, Saracibar A, Laganà A, Skouteris D. Garcia E, et al. Among authors: saracibar a. Phys Chem Chem Phys. 2009 Dec 28;11(48):11456-62. doi: 10.1039/b915409d. Epub 2009 Oct 27. Phys Chem Chem Phys. 2009. PMID: 20024416

10

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

Rampino S, Skouteris D, Laganà A, Garcia E, Saracibar A. Rampino S, et al. Among authors: saracibar a. Phys Chem Chem Phys. 2009 Mar 21;11(11):1752-7. doi: 10.1039/b818902a. Epub 2009 Feb 3. Phys Chem Chem Phys. 2009. PMID: 19290346

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