# First-principles study of electronic and optical properties in 1-D oligomeric derivatives of telomestatin

## TL;DR

This study uses advanced density functional theory to analyze the electronic and optical properties of telomestatin-inspired oligomers, revealing size-dependent plasmonic excitations and potential for solar energy applications.

## Contribution

It provides the first detailed theoretical analysis of these oligomers' electronic and optical behaviors, highlighting their suitability for transparent solar energy devices.

## Key findings

- Length-dependent plasmonic excitations in UV
- Doped chains show IR polaron absorption
- Lack of visible absorption suggests transparency

## Abstract

Real-space self-interaction corrected (time-dependent) density functional theory has been used to investigate the ground-state electronic structure and optical absorption profiles of a series of linear oligomers inspired by the natural product telomestatin. Length-dependent development of plasmonic excitations in the UV region is seen in the neutral species which is augmented by polaron-type absorption in the IR when the chains are doped with an additional electron/hole. Combined with a lack of absorption in the visible region this suggests these oligomers as good candidates for applications such as transparent antennae in dye-sensitised solar energy collection materials.