| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5381816 | Chemical Physics Letters | 2013 | 6 Pages |
Abstract
- The 2D-3D relative energy of small boron cluster (Bn, n = 20-24) linearly varies with respect to the actual net charge.
- Electron addition favors 2D planar structures.
- An early 2D-to-3D geometry hopping occurs for cationic boron clusters, and reversely for anions.
- Planarization of molecular skeleton is a driving force facilitating electron delocalization in 2D structures.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Hung Tan Pham, Long Van Duong, Buu Quoc Pham, Minh Tho Nguyen,