| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5381533 | Chemical Physics Letters | 2013 | 5 Pages |
Abstract
- A computational method is suggested to deal with the protonation and deprotonation processes for the molecular junctions.
- The current of the molecular junction has a significant change after (de)protonating.
- The coupling energy between molecules and electrodes is manipulated by pH.
- The numerical results are consistent with the experimental observations.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Yang Song, Dong-Qing Zou, Zhen Xie, Guang-Ping Zhang, Zong-Liang Li, Chuan-Kui Wang,