Periodic continuum solvation model integrated with first-principles calculations for solid surfaces
The structural and reactivity properties of the solute in aqueous solution are vital in chemistry and condensed matter physics. In order to understand the detailed adsorption structures and reaction processes on the solid surfaces or liquid/solid interfaces, the solvation effect should be considered...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2017-04-01
|
| Series: | Progress in Natural Science: Materials International |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1002007117302113 |