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Anion-Dependent Strength Scale of Interactions in Ionic Liquids from X-ray Photoelectron Spectroscopy, Ab Initio Molecular Dynamics, and Density Functional Theory.
Gousseva E, Towers Tompkins FK, Seymour JM, Parker LG, Clarke CJ, Palgrave RG, Bennett RA, Grau-Crespo R, Lovelock KRJ. Gousseva E, et al. Among authors: grau crespo r. J Phys Chem B. 2024 May 23;128(20):5030-5043. doi: 10.1021/acs.jpcb.4c00362. Epub 2024 May 10. J Phys Chem B. 2024. PMID: 38727250 Free PMC article.
Hydrogen Bonds in Lead Halide Perovskites: Insights from Ab Initio Molecular Dynamics.
Garrote-Márquez A, Lodeiro L, Suresh R, Cruz Hernández N, Grau-Crespo R, Menéndez-Proupin E. Garrote-Márquez A, et al. Among authors: grau crespo r. J Phys Chem C Nanomater Interfaces. 2023 Aug 8;127(32):15901-15910. doi: 10.1021/acs.jpcc.3c02376. eCollection 2023 Aug 17. J Phys Chem C Nanomater Interfaces. 2023. PMID: 37609385 Free PMC article.
Polaron-Adsorbate Coupling at the TiO2(110)-Carboxylate Interface.
Tanner AJ, Wen B, Ontaneda J, Zhang Y, Grau-Crespo R, Fielding HH, Selloni A, Thornton G. Tanner AJ, et al. J Phys Chem Lett. 2021 Apr 15;12(14):3571-3576. doi: 10.1021/acs.jpclett.1c00678. Epub 2021 Apr 5. J Phys Chem Lett. 2021. PMID: 33819053 Free PMC article.
40 results