Issue 27, 2015

Post-anti-van't Hoff-Le Bel motif in atomically thin germanium–copper alloy film

Abstract

Using quantum-chemical calculations and reduced dimensionality, we show that the “post-anti-van't Hoff-Le Bel” motif of germanium can be stabilized in a novel two-dimensional (2D) copper-germanium alloy film. This hypercoordinate sheet is the first stable planar hexacoordinate germanium material in 2D space. First principle calculations and molecular dynamics indicate that this Cu2Ge alloy film is a diamagnetic metal, and survives brief 10 ps annealing up to 1200 K. The electron delocalization and chemical bonding are unique and different from that of graphene, the all-boron α-sheet, and the BC3 honeycomb epitaxial sheet. Furthermore, we open a new route for the transformation of individual molecules to extended planar 2D sheets. This will provide new possibilities for extended planar hypercoordinate materials. We hope that these results will provide new opportunities to design post-anti-van't Hoff-Le Bel motifs by manipulation of dimensionality and quantum confinement.

Graphical abstract: Post-anti-van't Hoff-Le Bel motif in atomically thin germanium–copper alloy film

Supplementary files

Article information

Article type
Communication
Submitted
15 May 2015
Accepted
09 Jun 2015
First published
09 Jun 2015

Phys. Chem. Chem. Phys., 2015,17, 17545-17551

Post-anti-van't Hoff-Le Bel motif in atomically thin germanium–copper alloy film

L. Yang, I. A. Popov, A. I. Boldyrev, T. Heine, T. Frauenheim and E. Ganz, Phys. Chem. Chem. Phys., 2015, 17, 17545 DOI: 10.1039/C5CP02827B

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements