Classification of k-defect holes on a graphene sheet
Issued Date
2023-06-05
Resource Type
ISSN
09270256
Scopus ID
2-s2.0-85152442140
Journal Title
Computational Materials Science
Volume
225
Rights Holder(s)
SCOPUS
Bibliographic Citation
Computational Materials Science Vol.225 (2023)
Suggested Citation
Ruengrot P., Baowan D. Classification of k-defect holes on a graphene sheet. Computational Materials Science Vol.225 (2023). doi:10.1016/j.commatsci.2023.112181 Retrieved from: https://repository.li.mahidol.ac.th/handle/20.500.14594/81342
Title
Classification of k-defect holes on a graphene sheet
Author(s)
Author's Affiliation
Other Contributor(s)
Abstract
Holey graphene sheet is a promising nano-scaled material with a number of applications for electrochemical energy storage and gas sensors. Further, the joining of a carbon nanotube on a holey flat graphene creates new 3D material combining remarkable mechanical properties from both materials. In order to join a carbon nanotube with defect atoms on its end, we need a hole in graphene sheet with an equal number of defect atoms on its border. A k-defect hole on a graphene sheet is defined to be a simply-connected region that has k carbon atoms on the edge of the hole with one missing bond. In this study, a mathematical technique is presented to enumerate and classify all possible k-defect holes on the graphene sheet. The predicted joining structure for each hole formation is also determined. We introduce the least square and the discrepancy variance parameters that assess the hole's joining quality in order to choose the best k-defect holes to join with a carbon nanotube.