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

Density functional theory (DFT) and many body perturbation theory at theG$_0$W$_0$ level are employed to study the electronic properties ofpolythiophene (PT) adsorbed on graphene surface. Analysis of charge densitydifference shows the substrate-adsorbate interaction leading to a strongphysisorption and interfacial electric dipole moment formation. Theelectrostatic potential displays a -0.19 eV shift in the graphene work functionfrom its initial value of 4.53 eV, as the result of the interaction. The LDAband gap of the polymer does not show any change, however the energy levellineshapes are modified by the orbital hybridization. The interfacialpolarization effects on the band gap and levels alignment are investigatedwithin G$_0$W$_0$ level and shows notable reduction of PT band gap compared tothat of the isolated chain.

Improving the Performance of Polythiophene-based Electronic devices by Controlling the Band Gap in the Presence of Graphene