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 Tools annual

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 Tools monthly

Global: Zendy Plus monthly

Presents the access of premium content as premium feature

Premium Content

Global: Zendy Plus annual

Global: Zendy Free Plan

In this work, we report for the first time the crucial role of topologicalanomalies like Stone-Wales (SW) type bond rotations in tuning the opticalproperties of graphene quantum dots (GQDs). By means of first-principlescalculations, we first show that the structural stability of GQDs stronglydepends on position of SW defects. Optical absorption spectra is then computedusing electron-correlated methodology to demonstrate that SW typereconstruction is responsible for the appearance of new defect-induced peaksbelow the optical gap and dramatically modifies the optical absorption profile.In addition, our investigations signify that electron correlation effectsbecome more dominant for SW-defected GQDs. We finally establish that theintroduction of SW defects at specific locations strongly enhances lightabsorption in visible range, which is of prime importance for designing lightharvesting, photocatalytic and optoelectronic devices.

Graphene quantum dots with Stone-Wales defect as a topologically tunable platform for visible-light harvesting