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physics.chem-ph2013
Improving the electronic and optical properties of Carbz-PAHTDDT-based dyes through chemical modifications
Narges Mohammadi, Feng Wang
To investigate geometric and electronic structure, a theoretical study is performed on the Carbz-PAHTDDT (S9) organic dye sensitizer. This dye has a reported promising efficiency w…
physics.chem-ph2013★ 4 cited
Dominance of eclipsed ferrocene conformer in solutions revealed by the IR fingerprint spectral splitting
Narges Mohammadi, Feng Wang, Stephen Best +2
A combined high-resolution Fourier transform infrared (FTIR) spectra of ferrocene (Fc) and density functional theory (DFT) based quantum mechanical calculations confirmed the domin…