| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5393780 | Computational and Theoretical Chemistry | 2014 | 6 Pages |
Abstract
- Different α-MnO2 (1 1 0) surface terminations are simulated by DFT method.
- The magnetic arrangements of α-MnO2 (1 1 0) surfaces are considered.
- The stable α-MnO2 (1 1 0) surface with hydroxyl groups is calculated and compared with experimental results.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Yue Liu, Lin Yu, Ming Sun, Guiqiang Diao, Bang Lan, Gao Cheng,