CO[subscript 2] hydrogenation to formic acid on Ni(111)
Periodic, self-consistent, density functional theory (DFT) calculations are employed to study CO[subscript 2] hydrogenation on Ni(111). CO[subscript 2] hydrogenation with H adsorbed on the surface and with H absorbed in the subsurface is investigated systematically, and the respective microscopic re...
| Main Authors: | , , , , |
|---|---|
| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
American Chemical Society (ACS),
2015-03-11T19:43:59Z.
|
| Subjects: | |
| Online Access: | Get fulltext |