Structural and electronic properties of 2D-activated carbon sheet

Kumar Ratnesh; Kumar Abhishek; Rao B. Keshav; Srivastava Ambrish K.; Verma Mohan L.; Misra Neeraj

doi:10.1007/s42823-020-00177-3

Structural and electronic properties of 2D-activated carbon sheet

Carbon Letters
Abbr : Carbon Lett.
2021, 31(3), pp.483-488
DOI : 10.1007/s42823-020-00177-3
Publisher : Korean Carbon Society
Research Area : Natural Science > Natural Science General > Other Natural Sciences General
Received : March 29, 2020
Accepted : August 11, 2020
Published : June 1, 2021

Kumar Ratnesh ¹, Kumar Abhishek ¹, Rao B. Keshav ², Srivastava Ambrish K. ³, Verma Mohan L. ², Misra Neeraj ¹

¹University of Lucknow
²FET-SSGI Shri Shankaracharya Technical Campus
³Deen Dayal Upadhyaya Gorakhpur University

Accredited

ABSTRACT

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.

KEYWORDS

Activated carbon · Density functional theory · SIESTA · PDOS · DOS · COOP

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Carbon Letters 2023 KCI Impact Factor : 1.35 KCI-WoS Impact Factor : 4.82

Structural and electronic properties of 2D-activated carbon sheet

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Citation status

This is the result of checking the information with the same ISSN, publication year, volume, and start page between the WoS and the KCI journals. (as of 2024-07-27)

Total Citation Counts(KCI+WOS) (2) This is the number of times that the duplicate count has been removed by comparing the citation list of WoS and KCI.

Scopus Citation Counts (3) This is the result of checking the information with the same ISSN, publication year, volume, and start page between articles in KCI and the SCOPUS journals. (as of 2024-07-01)

* References for papers published after 2023 are currently being built.

Carbon Letters 2023 KCI Impact Factor : 1.35 KCI-WoS Impact Factor : 4.82

Structural and electronic properties of 2D-activated carbon sheet

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WoS Citation Counts (2) This is the result of checking the information with the same ISSN, publication year, volume, and start page between the WoS and the KCI journals. (as of 2024-07-27)

Total Citation Counts(KCI+WOS) (2) This is the number of times that the duplicate count has been removed by comparing the citation list of WoS and KCI.

Scopus Citation Counts (3) This is the result of checking the information with the same ISSN, publication year, volume, and start page between articles in KCI and the SCOPUS journals. (as of 2024-07-01)

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This is the result of checking the information with the same ISSN, publication year, volume, and start page between the WoS and the KCI journals. (as of 2024-07-27)

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