How can we describe the adsorption of quinones on activated carbon surfaces?

Hyung Jin Kim, Young Kyu Han

Research output: Contribution to journalArticlepeer-review

10 Scopus citations

Abstract

Quinone molecules have been widely studied as effective redox-active species for supercapacitors, but an understanding of the adsorption of quinones on activated carbon electrodes is very scarce. A hydroquinone molecule does not form a strong bond on pristine graphene, Stone−Wales defect, and double-vacancy surfaces, but it forms strong adsorption on single-vacancy surface. We demonstrate from first-principles calculations for various quinones that selecting an appropriate surface model is crucial in conducting a proper comparative study of the adsorption of quinone molecules. We suggest the single-vacancy graphene surface as a useful model for studying the adsorption of quinone molecules on an activated carbon electrode.

Original languageEnglish
Pages (from-to)1437-1441
Number of pages5
JournalCurrent Applied Physics
Volume16
Issue number10
DOIs
StatePublished - 1 Oct 2016

Keywords

  • Activated carbon
  • Adsorption
  • Density functional calculation
  • Quinone
  • Supercapacitor

Fingerprint

Dive into the research topics of 'How can we describe the adsorption of quinones on activated carbon surfaces?'. Together they form a unique fingerprint.

Cite this