First-principles investigations of tricarbon: From the isolated C3 molecule to a novel ultra-hard anisotropic solid
The purpose of this paper is to predict the existence of novel 3D covalent ultra-hard carbon allotropes in view of synthesizing them eventually. Stability and spectroscopic characteristics of the rarely occurring tricarbon linear molecule from quantum chemistry calculations are extended to the solid...
Saved in:
| Main Authors: | , , |
|---|---|
| Format: | Artigo |
| Language: | Inglês |
| Published: |
Elsevier
2022-01-01
|
| Series: | Carbon Trends |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2667056921001097 |
| Tags: |
No Tags, Be the first to tag this record!
|