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- W2244700180 abstract "In this study, the parameters of the photo-electrochemical properties, such as the ground state geometries, excitation energy, electronic structures, optical properties and electronics transition of lawsone were investigated by using density functional theory ( DFT ) and time dependent - DFT with B3LYP/6-31G( d) method. The solvent effect was considered in the DFT calculations and compared with the value of vacuum. From the analyses of electronic and optical properties, it is found that the lawsone satisfy the condition for good conversion efficiency as DSSCs device." @default.
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- W2244700180 date "2015-09-01" @default.
- W2244700180 modified "2023-10-02" @default.
- W2244700180 title "DFT/TD-DFT Studies on the Lawsone (Henna) as a Photosensitizer for Dye-Sensitized Solar Cells" @default.
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- W2244700180 doi "https://doi.org/10.4028/www.scientific.net/amm.789-790.56" @default.
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