Spectral investigations, inhibition efficiency analysis and a TD-DFT study on tuning the light harvesting efficiency (LHE) of heterocyclic 5-nitro-1,3-benzodioxole as a photosensitizer for dye sensitized solar cells (DSSCs)
Keyword(s):
Td Dft
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The vibrational wavenumber of 5-nitro-1,3-benzodioxole (NBD) are obtained and the complete assignments are performed on the basis of the total energy distribution (TED) of the vibrational modes.
2012 ◽
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2018 ◽
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