Photoinduced Dynamics in Semiconductor Quantum Dots: Insights from Time-Domain ab Initio Studies

Nanoscale clusters of bulk materials, known as quantum dots, exhibit both molecular and bulk properties

Oleg V. Prezhdo

2009

Scholarcy highlights

  • Nanoscale clusters of bulk materials, known as quantum dots, exhibit both molecular and bulk properties
  • The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online
  • The chemical and physical properties of molecular and bulk materials often contradict each other, which can lead to differing viewpoints about the behavior of QDs
  • Based on the state-of-the-art ab initio approaches in both the energy and time domains, the Account presents a comprehensive discussion of the dynamical processes in QDs, ranging from the initial photon absorption to the final emission
  • Nonadiabatic molecular dynamics simulations most closely mimic the complex coupled evolutions of charges, phonons, and spins as they occur in nature
  • The simulations show that the underlying atomic structure, thermal fluctuations, and surface effects lift electronic state degeneracies predicted by phenomenological models and that excitonic electron‚ąíhole interactions are strong in small QDs
  • Ab Initio Nonadiabatic Molecular Dynamics of the Ultrafast Electron Injection from a PbSe Quantum Dot into the TiO2 Surface

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