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 (Δ
H
) of
LiSESs was the internal energy chan… Show more
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