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The peaks in the electronic density of states (DOS) obtained via density functional theory (DFT) band structure calculations matched well with the electronic signatures of coupling quantum states. In our calculations, we found that the DOS peak evolves when the component layers are brought to compromised distances. While B/BN exhibits green sensitivity indicating mid-gap formation, B/MoS2 bestows red sensitivity indicating band-gap excitation of MoS2. Molecular detection of methylene blue (M based on surface-enhanced Raman spectroscop