Electrochemical Properties of Anthracene-Based Lithium-Solvated Electron Solutions
| Autor: | Wen Li, Haibin Su, Shuangchen Ruan, Andrey V. Lunchev, Andrew C. Grimsdale, Zhihao Liu, Rachid Yazami |
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| Přispěvatelé: | School of Materials Science & Engineering |
| Rok vydání: | 2018 |
| Předmět: |
Anthracene
Materials science Materials [Engineering] General Chemical Engineering Lithium-solvated Electron Solutions Enthalpy Triphenylene General Chemistry Conductivity Solvated electron Electrochemistry Electron transport chain Article lcsh:Chemistry chemistry.chemical_compound chemistry lcsh:QD1-999 Physical chemistry Density functional theory |
| Zdroj: | ACS Omega ACS Omega, Vol 4, Iss 3, Pp 4707-4711 (2019) |
| ISSN: | 2470-1343 |
| Popis: | The conductivity and open-circuit voltage (OCV) of lithium-solvated electron solutions (LiSESs) based on anthracene in tetrahydrofuran were studied by both experimental measurements and density functional theory calculations with a range-separated functional based on the M06 form and the Solvation Model based on Density (SMD). The OCV was found to decrease with increasing temperature and the ratio of lithium to anthracene. The enthalpy change (ΔH) of LiSESs was the internal energy change of the cell reaction. The conductivity of LiSESs exhibited a weakly metallic-like behavior. The electron transport was facilitated by molecular collisions promoted by the formation of dimeric structures as intermediates. The conductivity of LiSESs at 295.15 K presents positive correlation with the entropy change (ΔS) associated with the variation in the ratio of lithium to poly-aromatic hydrocarbon, including p-terphenyl, anthracene, and triphenylene. MOE (Min. of Education, S’pore) Published version |
| Databáze: | OpenAIRE |
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