English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

Luminescent solar concentrators (LSCs) are devices that trap a portion of thesolar spectrum and funnel it towards photon harvesting devices. The modellingof LSCs at a quantum chemical level however, remains a challenge due to thecomplexity of exciton and photon dynamic modelling. This study examines singletexciton dynamics occurring within a typical LSC device. To do this, we use arejection-free kinetic Monte Carlo method to predict diffusion lengths,diffusion coefficients, substrate anisotropy, and average exciton lifetimes ofperylene diimide (PDI) and tetracene based substrates in the low concentrationscheme. \textit{Ab initio} rate constants are computed using time-dependantdensity functional theory based methods. PDI type substrates are observed todisplay enhanced singlet exciton transport properties when compared totetracene. Simulations show that substrates with dipole-aligned chromophoresare characterised by anisotropic exciton diffusion, with slightly improvedtransport properties. Finally, a PDI-tetracene substrate is simulated for bothdisordered and dipole-aligned chromophore configurations. In this multi-dopantsubstrate transport is predominantly mediated by PDI due to the asymmetry inthe transport rates between the two dyes considered. We conclude discussing theproperties of multi-dopant substrates and how they can impact the design ofnext generation LSCs.

Singlet exciton dynamics of perylene diimide and tetracene based hetero/homogeneous substrates via an \textit{ab initio} kinetic Monte Carlo model