A dipole–dipole interaction tuning the photoluminescence of silicon quantum dots in a water vapor environment

The optical properties of silicon quantum dots depend on the working conditions, which are critical for their application in optoelectronic devices and fluorescent tags

Jinrong Yang; Yi Gao

2018

Scholarcy highlights

  • The optical properties of silicon quantum dots depend on the working conditions, which are critical for their application in optoelectronic devices and fluorescent tags
  • We applied time-dependent density functional calculations to show that the adsorption of water molecules would exhibit distinct effects on the PL spectra of Si QDs as a function of size
  • The transition dipole moment decomposition analysis shows that the additional emission peak originates from the single Si–Si stretched bond of Si QDs induced by the dipole–dipole interaction between the cyclic water trimer and Si QDs
  • As the size increases from Si17H24 to Si52H52, the dipole–dipole interaction energy between3 and Si QDs rapidly decreases from 19.1 × 10−22 J to 6.0 × 10−26 J, resulting in a single peak of PL of3 adsorption on Si52H52
  • This study gives a deep understanding of PL of Si QDs under humid conditions, and provides a new perspective on the development of optical devices based on Si QDs

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