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Structural and electronic properties of 2D‑activated carbon sheet KCI 등재

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  • URLhttps://db.koreascholar.com/Article/Detail/420598
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Carbon Letters (Carbon letters)
한국탄소학회 (Korean Carbon Society)
초록

A simulation based (DFT) study is performed on activated 2D-carbon sheet without and with vacancies of central carbon atoms, and explored the electronic properties. The inter-atomic distance at the center of activated carbon sheet is gradually increased with increasing number of vacancies. We get lower binding energy with three vacancies, and higher without a vacancy. A covalent bond is found between C–C atoms, density of states exhibit a semiconductor nature of a system without vacancy, and metallic nature in the presence of vacancies. There are higher peaks of resultant anti-bonding states with three vacancy system and it exhibits higher amorphous nature which causes higher electron concentration, mobility and higher electrical conductivity.

목차
    Abstract
    1 Introduction
    2 Methodology
    3 Results and discussion
    4 Conclusions
    Acknowledgements 
    References
저자
  • Ratnesh Kumar(Department of Physics, University of Lucknow)
  • Abhishek Kumar(Department of Physics, University of Lucknow)
  • B. Keshav Rao(Department of Applied Physics, FET-SSGI Shri Shankaracharya Technical Campus)
  • Ambrish K. Srivastava(Department of Physics, Deen Dayal Upadhyaya Gorakhpur University)
  • Mohan L. Verma(Department of Applied Physics, FET-SSGI Shri Shankaracharya Technical Campus)
  • Neeraj Misra(Department of Physics, University of Lucknow)