| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5379991 | Chemical Physics Letters | 2015 | 5 Pages |
Abstract
- Lattice constants of MOF-EMs can be reproduced well by optPBE-vdW scheme.
- NHN are metallic and other MOF-EMs are semiconducting.
- Impact sensitivities of MOF-EMs are discussed in terms of their band gaps.
- Calculated bulk moduli of MOF-EMs range from 15.1Â GPa (CuAN) to 35.0Â GPa (NHN).
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Zhaoyang Zheng, Xue Jiang, Jijun Zhao,