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Title: Electrochemical properties of anthracene-based lithium-solvated electron solutions
Authors: Liu, Zhihao
Lunchev, Andrey V.
Li, Wen
Ruan, Shuangchen
Rachid Yazami
Grimsdale, Andrew Clive
Su, Haibin
Keywords: Engineering::Materials
Issue Date: 2019
Source: Liu, Z., Lunchev, A. V., Li, W., Ruan, S., Rachid Yazami, Grimsdale, A. C., & Su, H. (2019). Electrochemical properties of anthracene-based lithium-solvated electron solutions. ACS Omega, 4(3), 4707-4711. doi:10.1021/acsomega.8b03621
Journal: ACS Omega
Abstract: 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.
ISSN: 2470-1343
DOI: 10.1021/acsomega.8b03621
Rights: © 2019 American Chemical Society. This is an open access article published under an ACS AuthorChoice License, which permits copying and redistribution of the article or any adaptations for non-commercial purposes.
Fulltext Permission: open
Fulltext Availability: With Fulltext
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