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• W2045395592 abstract "The non-resonant vibrational Raman spectra of nitrogen-doped tetrahedral amorphous carbon have been calculated from first principles, including the generation of a structural model, and the calculation of vibrational frequencies, vibrational eigenmodes and Raman coupling tensors. The calculated Raman spectra are in good agreement with the experimental results. The broad band at around 500 cm−1 arises from mixed bonds. The T peak originates from the vibrations of sp3 carbon and the G peak comes from the stretching vibrations of sp2-type bonding of C=C and C=N. The simulation results indicate the direct contribution of N vibrations to Raman spectra." @default.
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• W2045395592 date "2009-12-01" @default.
• W2045395592 modified "2023-10-02" @default.
• W2045395592 title "Raman spectra of nitrogen-doped tetrahedral amorphous carbon from first principles" @default.
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• W2045395592 doi "https://doi.org/10.1007/s11434-009-0454-2" @default.
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