Properties of the Free-Standing Two-Dimensional Copper Monolayer
Joint Authors
Yang, Li-Ming
Frauenheim, Thomas
Ganz, Eric
Source
Issue
Vol. 2016, Issue 2016 (31 Dec. 2016), pp.1-6, 6 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2016-11-10
Country of Publication
Egypt
No. of Pages
6
Main Subjects
Abstract EN
We use density functional theory to study a free-standing 2D copper monolayer.
We find that the Cu monolayer is stable in 15 ps ab initio molecular dynamics simulations up to 1200 K.
Due to the smaller number of bonds per atom in the 2D layer compared to the 3D bulk, we observe a significantly enhanced energy per bond (0.92 versus 0.58 eV/bond).
This is similar to the increase in bond strength going from 3D diamond to 2D graphene.
We predict various properties of this material, including band structure and density of states.
The free-standing 2D Cu monolayer is hexagonal close packed and is the global minimum structure.
One valence electron from each atom is delocalized and is donated into a 2D nearly free electron gas.
American Psychological Association (APA)
Yang, Li-Ming& Frauenheim, Thomas& Ganz, Eric. 2016. Properties of the Free-Standing Two-Dimensional Copper Monolayer. Journal of Nanomaterials،Vol. 2016, no. 2016, pp.1-6.
https://search.emarefa.net/detail/BIM-1109426
Modern Language Association (MLA)
Yang, Li-Ming…[et al.]. Properties of the Free-Standing Two-Dimensional Copper Monolayer. Journal of Nanomaterials No. 2016 (2016), pp.1-6.
https://search.emarefa.net/detail/BIM-1109426
American Medical Association (AMA)
Yang, Li-Ming& Frauenheim, Thomas& Ganz, Eric. Properties of the Free-Standing Two-Dimensional Copper Monolayer. Journal of Nanomaterials. 2016. Vol. 2016, no. 2016, pp.1-6.
https://search.emarefa.net/detail/BIM-1109426
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1109426