Quantum dots are promising candidates for optoelectronic applications, such as photovoltaics and light emitting diodes. Excited states play a crucial role in these applications, and the characteristics of the excited states can affect a dot’s exciton and energy transfer properties. Understanding the characteristics of these excited states is thus essential for understanding energy transfer; for example, it has recently been shown that localized surface excited states can facilitate energy transfer to a ligand, enhancing the triplet up-conversion process. Here, we use time-dependent density functional theory to study the excitation spectrum of different sizes and structures of CdSe quantum dots. We are able to find both bulk (delocalized) and surface (localized) states, and find that the structure of the quantum dot strongly affects the distribution of these states.

Computational study of surface and bulk excited states on quantum dots

2019 Fall National Meeting

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.