Importance of double-resonance effects in two-photon absorption properties of Au₂₅(SR)₁₈.

ABSTRACT: The two-photon absorption (TPA) cross-sections of small thiolate-protected gold clusters have been shown to be much larger than typical small organic molecules. In comparison with larger nanoparticles, their TPA cross-sections per gold atom are also found to be larger. Theoretical simulations have suggested that the large enhancement of these TPA cross-sections comes from a one-photon double-resonance mechanism. However, it remains difficult to simulate TPA cross-sections of thiolate-protected gold clusters due to their large system size and a high density of states. In this work, we report a time-dependent density functional theory (TDDFT) study of the TPA spectra of the Au₂₅(SR)₁₈^- cluster based on a damped response theory formalism. Damped response theor

SUBMITTER: Hu Z 

PROVIDER: S-EPMC5471455 | biostudies-literature | 2017 Jun

REPOSITORIES: biostudies-literature