| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5384216 | Chemical Physics Letters | 2011 | 5 Pages |
Abstract
⺠Origin of the reactivity diversity of lattice O atoms of Na2Ti3O7 is revealed. ⺠First DFT simulation is used to analyze the electronic structures of titanates. ⺠Electronic structures of atoms depend on their surrounding environment. ⺠O in the (0 0 3) plane of Na2Ti3O7 show the highest chemical reactivity.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Yun Wang, Hongwei Liu, Haimin Zhang, Xiangdong Yao, Huijun Zhao,