Abstract

Time-domain non-adiabatic ab initio simulations are performed to study the phonon-assisted hot electron relaxation dynamics in CdSe spherical quantum dots (QDs) and elongated quantum dots (EQDs). EQDs have a narrower band gap and denser electron and hole energy states than QDs. As temperature increases, band gap values will become smaller due to thermal expansion effect. Also more phonons are excited to scatter with electrons and thus result in a higher relaxation rate for hot electrons. Besides, it is also found in our simulation that hot electron relaxation rate in EQDs has a weaker temperature dependence than in QDs, which could be attributed to the larger thermal expansion in EQDs.

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