The Electronic Structure of Graphene Nanoislands: A CAS-SCF and NEVPT2 Study
Joint Authors
Leininger, Thierry
Monari, Antonio
Cusinato, Lucy
Evangelisti, Stefano
Source
Advances in Condensed Matter Physics
Issue
Vol. 2018, Issue 2018 (31 Dec. 2018), pp.1-14, 14 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2018-04-26
Country of Publication
Egypt
No. of Pages
14
Main Subjects
Abstract EN
This paper presents a tight binding and ab initio study of finite graphene nanostructures.
The attention is focused on three types of regular convex polygons: triangles, rhombuses, and hexagons, which are the most simple high-symmetry convex structures that can be ideally cut out of a graphene layer.
Three different behaviors are evidenced for these three classes of compounds: closed-shells for hexagons; low-spin open-shells for rhombuses; high-spin open-shells for triangles.
American Psychological Association (APA)
Cusinato, Lucy& Evangelisti, Stefano& Leininger, Thierry& Monari, Antonio. 2018. The Electronic Structure of Graphene Nanoislands: A CAS-SCF and NEVPT2 Study. Advances in Condensed Matter Physics،Vol. 2018, no. 2018, pp.1-14.
https://search.emarefa.net/detail/BIM-1117349
Modern Language Association (MLA)
Cusinato, Lucy…[et al.]. The Electronic Structure of Graphene Nanoislands: A CAS-SCF and NEVPT2 Study. Advances in Condensed Matter Physics No. 2018 (2018), pp.1-14.
https://search.emarefa.net/detail/BIM-1117349
American Medical Association (AMA)
Cusinato, Lucy& Evangelisti, Stefano& Leininger, Thierry& Monari, Antonio. The Electronic Structure of Graphene Nanoislands: A CAS-SCF and NEVPT2 Study. Advances in Condensed Matter Physics. 2018. Vol. 2018, no. 2018, pp.1-14.
https://search.emarefa.net/detail/BIM-1117349
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1117349