Výsledky vyhledávání - "Kyle G. Reeves"

Multivalent Mg2+-, Zn2+-, and Ca2+-Ion Intercalation Chemistry in a Disordered Layered Structure

Autor: Jiwei Ma, Kyle G. Reeves, Seongkoo Kang, Alexandre Ponrouch, Olaf J. Borkiewicz, Damien Dambournet, Toshinari Koketsu, Peter Strasser

Publikováno v: ACS Applied Energy Materials
ACS Applied Energy Materials, 2020, 3 (9), pp.9143-9150. ⟨10.1021/acsaem.0c01530⟩
ACS Applied Energy Materials, ACS, 2020, 3 (9), pp.9143-9150. ⟨10.1021/acsaem.0c01530⟩
Digital.CSIC. Repositorio Institucional del CSIC
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The development of practical multivalent-ion batteries critically depends on the identification of suitable positive electrode materials. To gain a better understanding of the intercalation chemistry of multivalent ions, model frameworks can be used

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ed02cd7fc91ffb3c24794b23e9d51913
https://doi.org/10.1021/acsaem.0c01530

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Solvation of anthraquinone and Tempo redox-active species in acetonitrile using a polarizable force field

Autor: Alessandra Serva, Mathieu Salanne, Kyle G. Reeves, Esther Heid, Roxanne Berthin, Christian Schroeder

Redox active molecules are of interest in many fields such as medicine, catalysis or energy storage. In particular, in supercapacitor applications, they can be grafted to ionic liquids to form so-called biredox ionic liquids. To completely understand

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::e67f26d24c3cef482a16f27b8e73a6f1
https://doi.org/10.33774/chemrxiv-2021-w18g2

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A semiclassical Thomas-Fermi model to tune the metallicity of electrodes in molecular simulations

Autor: Kyle G. Reeves, Laura Scalfi, Thomas Dufils, Benjamin Rotenberg, Mathieu Salanne

Publikováno v: Journal of Chemical Physics
Journal of Chemical Physics, 2020, 153 (17), pp.174704. ⟨10.1063/5.0028232⟩
The Journal of Chemical Physics
Journal of Chemical Physics, American Institute of Physics, 2020, 153 (17), pp.174704. ⟨10.1063/5.0028232⟩

Spurred by the increasing needs in electrochemical energy storage devices, the electrode/electrolyte interface has received a lot of interest in recent years. Molecular dynamics simulations play a proeminent role in this field since they provide a mi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8fd3a8f44bd4624039524ac86eb93822
https://hal.sorbonne-universite.fr/hal-02988148

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A first-principles investigation of the structural and electrochemical properties of biredox ionic species in acetonitrile

Autor: Guillaume Jeanmairet, Kyle G. Reeves, Alessandra Serva, Mathieu Salanne

Publikováno v: Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, 2020, 22 (19), pp.10561-10568. ⟨10.1039/C9CP06658F⟩
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2020, 22 (19), pp.10561-10568. ⟨10.1039/C9CP06658F⟩

Biredox ionic liquids are a new class of functionalized electrolytes that may play an important role in future capacitive energy storage devices. By allowing additional storage of electrons inside the liquids, they can improve device performance sign

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::25145d36b912d90e422a23ca7d7dda38
https://hal.sorbonne-universite.fr/hal-02884171/document

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Hydronium Ions Stabilized in a Titanate-Layered Structure with High Ionic Conductivity: Application to Aqueous Proton Batteries

Autor: Christophe Legein, Olivier Dubrunfaut, Damien Dambournet, Christel Laberty-Robert, Seongkoo Kang, Monique Body, Arvinder Singh, Kyle G. Reeves, Jean-Claude Badot, Olaf J. Borkiewicz, Serge Durand-Vidal, Benoît Tremblay

Publikováno v: Chemistry of Materials
Chemistry of Materials, American Chemical Society, 2020, 32 (21), pp.9458-9469. ⟨10.1021/acs.chemmater.0c03658⟩
Chemistry of Materials, 2020, 32 (21), pp.9458-9469. ⟨10.1021/acs.chemmater.0c03658⟩

International audience; Proton chemistry is a fascinating field with both fundamental and applied aspects. The development of solid-state proton conductors relying on abundant elements could help bring these two aspects. In this scope, we synthesized

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6e1d2b6ddcd0654319d39ca46ce8d46a
https://hal.sorbonne-universite.fr/hal-03118933/file/Manuscript.pdf

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A first-principles computational comparison of defect-free and disordered, fluorinated anatase TiO

Autor: Kyle G, Reeves, Damien, Dambournet, Christel, Laberty-Robert, Rodolphe, Vuilleumier, Mathieu, Salanne

Publikováno v: RSC advances. 10(15)

Chemical doping and other surface modifications have been used to engineer the bulk properties of materials, but their influence on the surface structure and consequently the surface chemistry are often unknown. Previous work has been successful in f

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::d6391aa584646aa43375bf4b7489c1b1
https://pubmed.ncbi.nlm.nih.gov/35496548

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Insights into Li+, Na+, and K+ Intercalation in Lepidocrocite-Type Layered TiO2 Structures

Autor: Jiwei Ma, Kyle G. Reeves, Mika Fukunishi, Mathieu Salanne, Damien Dambournet, Shinichi Komaba

Publikováno v: ACS Applied Energy Materials
ACS Applied Energy Materials, ACS, 2018, 1 (5), pp.2078-2086. ⟨10.1021/acsaem.8b00170⟩
ACS Applied Energy Materials, 2018, 1 (5), pp.2078-2086. ⟨10.1021/acsaem.8b00170⟩

International audience; A lamellar lepidocrocite-type titanate structure with ∼25% Ti4+ vacancies was recently synthesized, and it showed potential for use as an electrode in rechargeable lithium-ion batteries. In addition to lithium, we explore th

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::138c745ae2e3ff0708bf6652cd8eceda
https://doi.org/10.1021/acsaem.8b00170

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A New Electrolyte Formulation for Securing High Temperature Cycling and Storage Performances of Na‐Ion Batteries

Autor: Guochun Yan, Mathieu Salanne, Jean-Marie Tarascon, Zhujie Li, Claudio Cometto, Kyle G. Reeves, Dominique Foix, Sathiya Mariyappan

Publikováno v: Advanced Energy Materials
Advanced Energy Materials, Wiley-VCH Verlag, In press, pp.1901431. ⟨10.1002/aenm.201901431⟩
Advanced Energy Materials, 2019, 9 (41), pp.1901431. ⟨10.1002/aenm.201901431⟩
Advanced Energy Materials, Wiley-VCH Verlag, 2019, 9 (41), pp.1901431. ⟨10.1002/aenm.201901431⟩
Advanced Energy Materials, Wiley-VCH Verlag, 2019, pp.1901431. ⟨10.1002/aenm.201901431⟩

International audience; The Na-ion battery is recognized as a possible alternative to Li-ion battery for applications where power and cost override energy density performances. However, the increasing instability of their electrolyte with temperature

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::daa7d96b76e15fce1a81b60fa2f4dd88
https://hal.archives-ouvertes.fr/hal-02344279

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