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How can we describe the adsorption of quinones on activated carbon surfaces?
- Authors
- Kim, Hyung-Jin; Han, Young-Kyu
- Issue Date
- Oct-2016
- Publisher
- ELSEVIER SCIENCE BV
- Keywords
- Activated carbon; Quinone; Supercapacitor; Adsorption; Density functional calculation
- Citation
- CURRENT APPLIED PHYSICS, v.16, no.10, pp 1437 - 1441
- Pages
- 5
- Indexed
- SCI
SCIE
SCOPUS
KCI
- Journal Title
- CURRENT APPLIED PHYSICS
- Volume
- 16
- Number
- 10
- Start Page
- 1437
- End Page
- 1441
- ISSN
- 1567-1739
1878-1675
- 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. (C) 2016 Elsevier B.V. All rights reserved.
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Related Researcher
- Han, Young Kyu
- College of Engineering (Department of Energy and Materials Engineering)