Ab Initio Simulations of the (101) Surfaces of Potassium Dihydrogenphosphate (KDP)
We have used density functional calculations to examine the (101) surfaces of KDP, under vacuum, nitrogen, and aqueous conditions, and these simulations are found to agree well with nanoscale experimental studies demonstrating that the density functional calculations are providing a good description...
| Main Authors: | , , |
|---|---|
| Format: | Journal Article |
| Published: |
American Chemical Society
2006
|
| Online Access: | http://hdl.handle.net/20.500.11937/34330 |