Thermodynamic properties of LiNiO<sub>2</sub>, LiCoO<sub>2</sub>, and LiMnO<sub>2</sub> from density-functional theory
نویسندگان
چکیده
The formation energies of LiCoO 2 , LiNiO and LiMnO were calculated using a combination adequately selected Hess cycles DFT computations. Several exchange-correlation functionals tested PBE for solids...
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2023
ISSN: ['1463-9076', '1463-9084']
DOI: https://doi.org/10.1039/d3cp01771k